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Transition - Science topic

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Using UV VIS IR absorbtion data, I found some peaks in the graph. But how to know from where to where the transition happened? Is there any software? or literature data?
Please help?
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Thank you, mam.
Can I use the same software to study the photoluminescence transition also?
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I am considering a research question for my dissertation around founders, who are also employees in their companies, transitioning into leadership/management roles.
The company I am basing the research question on find themselves with financial constraints in making this transition.
I haven't found much on the topic in my literary search, which may indicate a gap, but it may also indicate too narrow a field to pursue.
Is the founder transition from employee to manager a common occurrence? Is this a research topic worth pursuing?
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It was an interesting topic, if you come to a conclusion, please share
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I intend to use value-focused thinking to investigate energy technologies/resources to achieve energy transition.
I have identified four (4) values but need to prioritise them in order of importance before I use them to evaluate potential alternatives. The values are:
Adequacy of resources
Availability of resources (geographically)
Cleanliness of resources
Long term relevance
Kindly rank these values in order of importance.
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I would consider: power capacity , carbon footprint, land footprint, economic feasibility and resources or feedstock availability
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Hi everyone,
I have been working on obtaining a transition state for the deprotonation of a carbocation by histidine, where I froze the bond lengths between the histidine nitrogen and the proton, as well as between the proton and the methyl group being deprotonated. This resulted in a single imaginary frequency of over -1000, and the transition state was confirmed through IRC calculations.
My question is: is such a transition state acceptable and publishable given that the bond lengths were frozen? I attempted to release the constraints and recalculate the transition state (including using key words like calcfc, calcall, scf=qc, IOP(1/8=1),, each besides this level of theory # opt=(ts,noeigen) freq mpw1pw91/6-31+g(d,p)), but the structure did not converge. Can I rely on the optimized transition state with frozen bonds, or should I keep trying to achieve a fully unconstrained optimization?
Thanks
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In your "free postoptimization", have you tried playing with the convergence criteria, both for the SCF and the geometry? Eventually, that may be helpful.
A transition state which has been calculated with fewer constraints will surely find more acceptance than a constrained one.
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I am currently working on obtaining the transition state for the deprotonation of a carbocation by histidine. Initially, I froze the bond lengths between the histidine nitrogen and the proton, as well as between the proton and the methyl group being deprotonated. This approach resulted in a single imaginary frequency of over -1000 cm⁻¹ (please see the attached files: 1_input and 1_output).
I then attempted to release these constraints and recalculate the transition state. I have tried various keyword combinations, including calcfc, calcall, scf=qc, and IOP(1/8=1) in conjunction with the level of theory # opt=(ts,noeigen) freq mpw1pw91/6-31+g(d,p). However, the structure did not converge. The energy oscillates uniformly without reaching a minimum (attached is a graph showing this behavior).
Could you provide any suggestions on how to address this issue ?
Thank you for your time and assistance.
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The method you use to calculate a TS is correct, Opt=(TS,calcfc,noeigen). However, it is important to have a good approximation to the TS. You should first perform a scanning of how energy changes when methyl is deprotonated (see attached). To do that, do a scan job:
# opt=modredundant plus other keywords
.../...
.../...
B 1 2 S 10 0.10
This is only an example, replace 1 and 2 with the atom label of your molecule, S means scan type job, 10 -0.10 means ten steps with an increase of 0.10 angstroms. You need to adjust these parameters to your problem.
After the scan finishes, select the highest point and run TS optimization.
Hope this is helpful.
Best, Pablo
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Spin polarized calculations for a material can give different band structures and energy gaps for up and down spins. However, CASTEP in some cases gives an energy gap value corresponding to an electronic transition in which electron changes its spin (from up to down-spin bands or vice versa). This transition generally is forbidden. Why does CASTEP show this gap? Thanks!
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CASTEP, as many DFT codes, calculates the band structure and thus evaluates the difference between the last occupied state and the first un-occupied state. The establishment of selection rules to determine if a transition if forbidden or not is another step. You could plot the spin resolved bands or spin resolved DOs, for example, and obtain such information.
Anyway, if you believe this is a bug, I am confident people at CASTEP would be happy to hear your comments and eventually take action. Commenting on a general purpose research website might not be leading to a solution.
Regards,
Roberto
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In checking for child malnutrition in a household, if there is more than one child, some are malnourished while others are not and we want to check the resilience capacity of the household, how do we classify the household, malnourished or not? and this is to check transition from one state to another between years.
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You are very correct.
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Mnxn is a non-negative real square matrix subject to a statistical condition,
∑Mi,j =1 for all lines i,
or ∑Mi,j =1 for all columns j,
Compared to the double statistical transition matrix B, its uses are limited to a few events such as:
* Predict the number of defective parts in the assembly line,
**Predict what percentage of a company's accounts receivable will become bad debt.
..etc..
While the double statistical transition matrix B can be used for almost all physical and mathematical events.
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Thus any physical event, whether classical or quantum, can be expressed in PDE1 format and its solution can be presented in the format of equation 3.
Note that in the case of a spontaneous Markovian transfer event not driven by the source term S or the boundary conditions b, you must substitute S=0 and b=0 into equation 3 to obtain,
U(t)=IC. B^N. . . . . . . . .(3*)
Equation 3* is the stochastic Markov matrix equation for the eigenvalue λ =1.
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notations for these auger transitions
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Without using tables of calculated values (see links on the other questions), you can't assign these.
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names of MNN, MMN, and NNN Auger transitions and their peak width
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MNN, MMN, NNN are the description of Auger peaks, for more detail the subshells should be added, see here:
You use MNN, MMN, NNN , e.g. heavier elements are considered, the energy and width will depend on the atomic number.
The energy of transitions are tabeled, but the measured width depends also on the spectrometer.
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Transition supports for students with disabilities
From high school to college
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Joy LaRusic To effectively support high school students with disabilities transitioning to post-secondary education, early and individualized planning is key. For example, starting transition discussions as early as 9th grade can help identify a student's strengths, interests, and areas where they need support. Schools can work closely with students to set specific academic and career goals while introducing them to self-advocacy skills.
Take Sarah, a student with dyslexia. Her high school transition plan includes regular meetings with a counselor to learn how to access accommodations, such as extended exam time and assistive reading technology, that she’ll need in college. Her teachers also ensure she practices using these tools so she's confident by the time she enters higher education.
Another critical practice is connecting students with mentors or peer groups who’ve successfully made the transition. For instance, universities can offer mentorship programs where current students with disabilities guide incoming freshmen through the process of applying for accommodations, navigating campus life, and managing workload.
Lastly, collaboration between high schools and colleges is crucial. High school staff should ensure that students are aware of services available at their future colleges. Colleges can facilitate this by hosting transition workshops or virtual tours that familiarize students with disability services before they even set foot on campus.
These steps build confidence and prepare students for success beyond high school, ensuring a smoother, more supported transition into the next phase of their education.
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We assume that it is possible to calculate finite numerical integration via statistical matrix mechanics (a product of the statistical method of Cairo techniques).
It is obvious that here it is not necessary to use FDM or any similar calculation method [1].
The finite statistical integration for 1D,2D,3D space is not complicated but a little long.
The starting point is to calculate the transfer matrix Dnxn given by the following expression [1],
Dnxn=1/(I-Bnxn)-I
Where B is the well-defined statistical transition matrix.
Then calculate the numerical statistical integration weights (Wi, j) of the bounded area (G) of x, y as follows:
Wi,j=Σ (sigma) D(i, j) on j/(Σ Σ D(i,j) on i, j.
Note that i, j replaces x, y.
Now, the statistical integration Ist of any function f(x, y) over the finite domain G will be given by,
Ist=Σf(x, y).(Wi, j) for all i, j.
It is worth mentioning that the first statistical integration Ist, although not complex, is more accurate than any other FDM technique.
[1]Effective unconventional approach to statistical differentiation and statistical integration, ResearchGate, IJISRT journal,
November 2022.
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Numerical example,
The resulting statistical integration formula I = ∫ y dx for n = 7 nodes is the formula,
I = 6h/77 (6.Y1 +11.Y2 + 14.Y3+15.Y4 +14.Y5 + 11.Y6 + 6.Y7). . ..(5)
And the statistical integration formula I = ∫ y dx for 11 nodes gives:
I=10 h/ 145*[6.191+ 10.715 +13.862 +15.921 17.056+
17.4344025 + . . +. . . ] . . (6)
Equations 5.6 are symmetric about the center of mass nodes x4 and x6 respectively.
It is worth mentioning that the numerical results of equations 5.6 are more accurate than those obtained from the trapezoidal rule and those obtained from Sympson's rule.
Note also that the artificial method of Lagrange multipliers used for the derivation of Sympson's rules is not necessary for the derivation of equations 5,6.
This confirms that classical 3D+t spaces do not allow the generation of well-defined mathematical rules and hypotheses.
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I am currently working on the design of an Intelligent Reflecting Surface (IRS/RIS/ metasurface) using CST Studio. I’ve encountered an issue where the S-parameters(S11) show a sudden change at my resonance frequency of 3.5 GHz. This behavior contrasts with what is often reported in IEEE papers, which typically show a smooth transition from 180 to -180 degrees.
My question is if this sudden change is expected or if it indicates a problem with my design or simulation setup ?
Additionally,Are there any process to bias the IRS in cst studio?
I have attached a graph showing the S-parameters for reference.
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Yes... it is as the colleague above tells you. Just right-click on the graph and select unwrap to undo that jump.
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We assume that the Laplacian theorem is a combination of Stoke divergence theorem and curl theorem.
Since Div Curl = Nabla^2,then,
d/dt)partial U = D Nabla^2 U +S(U),
Which is equivalent to,
U(x,y,z,t+dt)= B . U(x,y,z,t)
The transition matrix B , valid for classical and quantum physics is subject to,
B + B^2 . . . + B^N = D(N)
And,
E= 1 / ( I - B) = D(N) for N tends to infinity.
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Finally, here is a simple understanding of spaces:
The Laplacian theorem lives and functions in the 4D-unit space but not in the classical 3D+t space.
The theory of relativity and the speed of light c lives and functions in 4D unit space but not in classical 3D+t space.
. . etc.
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Hello. Can anyone clarify if the transitivity of a novel (text) of 2000 words should be conducted word by word when you want to analyse the most prominent process type or Just write the results and their percentages in a paragraph? Is there a good sample of transitivity analysis that can guide me in this matter?
Thank you !
Pelin.
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هناك طريقة الحقول الدلالية ، بالإمكان الاعتماد عليها لإحصاء المجالات الدلالية الأكثر بروزا.
وهنا ستظهر حتما تلك الحقول غير المؤثرة التي لا تشكل وحداتها المعجمية بؤرة توتر في النص المقروء.
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Hi.Could anyone suggest a few free software which is easy to use to conduct the transitivity of a text in a novel ?Thank you !
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لحد الساعة ليس لدينا فكرة عن أي برمجيات اصطناعية بإمكانها تحميل النص الروائي وتحليله، نتمنى إفادتنا برابط تحميله إذا كان متوفرا.
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Dear RG members, IUGS is planning a new edition of the classical "Le Maitre" book devoted to the classification and nomenclature of igneous rocks. A group of 17 igneous petrologists (hereafter TGIR - Task Group on Igneous Rocks) is working for three years to update specific definitions or proposing entirely new sections.
As the Chair of the TGIR, I would like to start a discussion with all the interested people that want to give help concerning this task. I and the other members of the TGIR will start posting a series of arguments that will greatly benefit from your comments, so I hope to receive stimulating feedback.
Once having classified a rock to the alkaline series, the next step is usually to identify the alkali ratio to choose adjectives such as sodic-potassic-ultrapotassic.
Present IUGS definition:
The glossary section of the present IUGS classification of igneous rocks does not report any information on the adjectives "sodic", "potassic" or "ultrapotassic". The third edition has to fill this gap. IUGS only provides some info on the mildly alkaline rocks in the TAS diagram (i.e., those falling in the trachybasalt, basaltic trachyandesite and trachyandesite fields). The simple (but far from being satisfying) IUGS rule defines sodic a rock with Na2O wt% content (minus 2 wt%) higher than its K2O wt% and potassic if the Na2O wt% content (minus 2 wt%) is lower than its K2O wt%. For example, a rock with 5 wt% Na2O and 2 wt% K2O is considered as sodic, whereas a rock with 3 wt% Na2O and 2 wt% K2O is considered potassic. Remember that this distinction is considered valid only for the three mildly alkaline compositions (trachybasalts, basaltic trachyandesites and trachyandesites). Nothing is said about other compositions (e.g., ultrabasic, acid and strongly alkaline rocks).
In addition, IUGS considers a rock as "ultrapotassic" if molar K2O/Na2O is >3 (see section 2.7.2 of Le Maitre, 2002). No information is reported on the equivalent sodic term (i.e., “ultrasodic”). To conclude, IUGS reports only a short comment on the adjective “transitional” to be addressed to basalts only. According to IUGS the term “transitional basalt” should be avoided (it is not reported in bold in the Glossary of terms section). The IUGS definition for “transitional basalt” is “A variety of basalt transitional between typical tholeiitic basalt and alkali basalt. It consists of olivine, Ca-rich augite, plagioclase and titanomagnetite plus variable, but small, amounts of alkali feldspar. Ca-poor pyroxenes are absent.”.
To conclude, present IUGS rules are:
Sodic: (Na2O wt% - 2 wt%) > K2O wt% (valid for trachybasalts, basaltic trachyandesites and trachyandesites only).
Potassic: (Na2O wt% - 2 wt%) < K2O wt% (valid for trachybasalts, basaltic trachyandesites and trachyandesites only).
Transitional: No indication reported.
Ultrapotassic: molar K2O/Na2O >3
Ultrasodic: No indication reported.
Not definitive proposal of the IUGS TGIR:
1. Albeit not completely correct, we propose to deal with major oxides, not molar concentration, because it is much easier to manage oxides, without any special calculation.
2. The Na2O + K2O ratio has to be >3 wt%. We emphasize that this threshold value is not sufficient to avoid non-alkaline rocks (for example, non-alkaline acid rocks have Na2O + K2O up to 7), but it is the minimum ratio in case of basic-ultrabasic compositions.
3. MgO has to be >3 wt% to avoid major changes associated with fractional crystallization, following Foley et al., 1987 (Earth-Sci. Rev.). This means that rocks such as phonolites and trachytes could not be classified as ultrapotassic-potassic-transitional-sodic ultrasodic.
4. Ultrapotassic: K2O/Na2O >2 (Na2O/K2O <0.5); K2O >3 wt% (following Foley et al., 1987, Earth-Sci. Rev.).
5. Potassic: K2O/Na2O between 1 and 2.
6. Transitional: K2O/Na2O between 1 and 0.5.
7. Sodic: K2O/Na2O between 0.5 and 0.25 (Na2O/K2O between 2 and 4).
8. Ultrasodic: K2O/Na2O <0.25 (Na2O/K2O >4); Na2O <0.25.
We hope to receive your feedback about this proposal.
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Dear Joannis,
this is actually what is proposed. To define a rock as ultrapotassic we propose to follow the suggestion of Foley et al. (1987), i.e., K2O >3 wt% and K2O/Na2O >2, as in the scheme proposed in this thread. In addition we should consider also MgO >3 wt%, to exclude that the relatively high K2O could be simply an effect of prolonged fractionaly crystallization of K2O-poor mineral assemblage. For example, K2O-rich trachytes of the Phlegrean Fields volcano cannot be considered as ultrapotassic, because strongly fractionated melts with very low MgO.
Note that the original definitions for ultrapotassic rocks considered K2O/Na2O ratios be >3. Foley et al. (1987) reduced this ratio to 2 to include several rocks in the "ultrapotassic" family.
I did not find any word referring to "timanite" or "doiranite" in the Le Maitre (2002) book.
At the end I underline that "pyribole" is not a mineral name reccommended by IMA, so I would not quote it in the new edition of the book.
Cheers,
michele
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low carbon emission
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Economic Challenges
  1. High Initial Costs: Transitioning to low-carbon technologies requires significant upfront investment in infrastructure, renewable energy sources, and new technologies.
  2. Stranded Assets: Existing investments in fossil fuel-based infrastructure may become obsolete, leading to financial losses for businesses and investors.
  3. Employment Shifts: Jobs in traditional energy sectors (e.g., coal, oil, gas) may decline, causing regional economic disruptions and requiring workforce retraining.
  4. Regulatory Uncertainty: Inconsistent policies and regulations can create uncertainty, making it difficult for businesses to plan and invest in low-carbon initiatives.
Economic Opportunities
  1. Job Creation: Growth in renewable energy sectors (e.g., solar, wind, energy efficiency) can create new employment opportunities.
  2. Innovation and Competitiveness: Investment in green technologies can drive innovation, leading to new products and services, enhancing global competitiveness.
  3. Energy Cost Savings: Increased energy efficiency and the use of renewable energy can reduce energy costs over time.
  4. Health Benefits: Reducing pollution can lead to significant health savings and improve overall public health, which can positively impact economic productivity.
These points highlight the complex balance of immediate costs and long-term benefits associated with transitioning to a low-carbon economy​ (Prosci)​​ (Emerald)​.
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renewables energy
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Implementation of the process of green transformation of the economy, including the green transformation of the energy sector, i.e. mainly the development of renewable and emission-free sources of energy, is financed primarily from two types of sources, i.e. financial subsidies from the state's public finance system and within the framework of commercial green external financing implemented, among others, through green loans provided by commercial banks and green corporate bonds issued by corporations, companies, enterprises implementing pro-climate, pro-environmental and/or pro-environmental business ventures. In a situation where the said pro-climate, pro-environmental and/or pro-environmental business ventures are implemented by innovative startups that implement and develop eco-innovations and new green energy technologies then they can obtain equity financing through the subscription of shares by an investment fund that co-finances commercial, innovative green business ventures as part of its business model. What scale of financial subsidies are offered to businesses and citizens from the state's public finance system depends on whether the country's government and/or local government authorities are more or less serious about the need to implement processes of green transformation of the economy with a view to moving away from the dirty energy of burning fossil fuels in order to switch to cheaper, clean, green, renewable and emission-free sources of energy, and increasing the scale of implementation of sustainable development goals and transforming the conventional economy into a sustainable, emission-free, green closed loop economy. Commercial banks, on the other hand, by providing green financing, including green loans, green leasing, etc., seek to improve their reputation, their media image, their brand image, and write sustainability and greenness issues into their development strategies and the bank's mission. A key determinant of the extent to which the national government, local authorities, banks, companies and enterprises develop green financing is the level of pro-environmental, pro-climate, pro-environmental awareness of a country's citizens. In the formation of this awareness of citizens, the education system, the media and the political sphere play a key role.
I would like to invite you to join me in scientific cooperation on this issue,
Best regards,
Dariusz Prokopowicz
The above text is entirely my own work written by me on the basis of my research.
In writing this text I did not use other sources or automatic text generation systems.
Copyright by Dariusz Prokopowicz
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I'm interested in the earliest days of placental terrestrial locomotion in large herbivorous taxa. Phenacodus seems to be transitional in this regard. Any others?
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Patrice Showers Corneli I had to look up your term, "tree-dwelling Perissodactyls" since I knew of only terrestrial perissodactyls. I came up with one: tree-dwelling hyrax. Can you name a few "tree-dwelling Perissodactyls" by genus? Perhaps list only those known from more or less complete skeletons. No dental taxa, please.
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Berry curvature is defined as \nabla_{R} \times \vec{A}, where \vec{A} is the Berry connection. Unavoidably, this formula involves partial differentiations of the eigenvectors, often leading to problematic situations where the wavefunction phase is singular (i.e., multivalued). In this case, infinities may appear in the curvature result, which are not connected in any way to degeneracies (i.e., monopoles). Berry, in his seminal paper, showed that there is a way to circumvent this by introducing his extended curvature formula that does not involve any differentiation of the eigenfunctions.
But how is this possible? The initial curvature definition and the extended curvature formula should result in exactly the same Berry field! That said, if there is any phase-related multivaluedness leading to abnormalities in the initial "classic" curvature definition, where do these abnormalities go when transitioning to the extended curvature formula? It should be noted that these abnormalities were truly a physical contribution (with a definite physical meaning) to Berry curvature, and cannot be eliminated in the extended Berry formula.
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It really seems that the extended Berry formula (as introduced in Berry's seminal paper) lacks information, as, it produces a different curvature. It is obvious that some erroneous assumptions have been made in the derivation, but what exactly?
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Hi all,
Has any one has access to literature covering the Factors consdiered/ impacting the Renewable Energy Transition for Corporates/Companies/Organization/institutions
Thanks in advance.
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Transitioning to renewable energy at an institutional level involves several critical factors. Firstly, the financial viability and return on investment must be evaluated, considering both initial capital costs and long-term savings from reduced energy expenses. Regulatory and policy frameworks are also essential, as incentives, subsidies, and favorable policies can significantly influence the feasibility of renewable energy projects. Additionally, the institution's energy needs and consumption patterns must be assessed to determine the most suitable renewable energy sources and technologies, such as solar, wind, or biomass. Infrastructure readiness, including the availability of space for installations and the capacity of existing electrical systems to integrate renewable sources, is another crucial factor. Furthermore, stakeholder engagement and support are vital, as buy-in from management, staff, and the community can drive successful implementation. Lastly, sustainability goals and environmental impact considerations should align with the institution's broader mission and values, ensuring that the transition supports overall strategic objectives.
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What are some common challenges faced by ICU survivors
as they transition back to everyday life?
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Brillouin and Raman spectroscopy of the ferroelastic rutile-to-CaCl2 transition in SnO2 at high pressure: by Holger Hellwig, Alexander F. Goncharov, Eugene Gregoryanz, Ho-kwang Mao, and Russell J. Hemley
Phys. Rev. B 67, 174110 (2003)
I have found unusual pure cassiterite crystals with Raman spectroscopy, which show substantial differences from cubic, tetragonal, and orthorhombic cassiterite. See K. Balakrishnan et al. (2022).
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Dear Rainer Thomas. Yes I have this very nice paper. Please contact me.
Sincerely P. Bouvier
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The clean energy transition (CET) is central to the reversal of the challenges posed by climate change. However, many African countries do not have the funds needed to accelerate the clean energy transition, hence the need to leverage private finance through FDI. However, attracting the necessary FDI for CET is hampered by the nature of the African business environment, particularly the absence of regulatory alignment. The AFCTA's key objective is the establishment of uniform regulations and standards, thereby fostering a predictable, stable, and transparent business environment.
Since the implementation of the AFCTA, has there been a noticeable shift in the African business environment? If not, what factors are responsible for this?
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Simon James The African Continental Free Trade Area (AfCFTA) indeed holds significant promise for transforming the African business landscape, including facilitating the clean energy transition (CET) by addressing regulatory challenges and fostering a conducive investment environment. However, assessing the extent of the AfCFTA's impact on the business environment and its implications for CET requires careful consideration of several factors.
Firstly, it's important to recognize that the AfCFTA's implementation is a complex and ongoing process. While the agreement was officially launched in January 2021, its full impact may take time to materialize as countries work to harmonize regulations, eliminate trade barriers, and facilitate cross-border investment.
Secondly, the success of the AfCFTA in driving regulatory alignment and improving the business environment for CET depends on the commitment of African governments to implement the necessary reforms. This includes not only harmonizing regulations but also addressing other structural challenges such as corruption, bureaucracy, and inadequate infrastructure, which can deter foreign direct investment (FDI) in clean energy projects.
Additionally, the effectiveness of the AfCFTA in attracting FDI for CET will also be influenced by external factors such as global economic trends, investor perceptions of risk, and the availability of financing. Even with improved regulatory alignment within Africa, investors may still be cautious if they perceive political instability or policy uncertainty in certain regions.
Moreover, while the AfCFTA aims to create a unified market of over 1.3 billion people, the diversity of African economies and regulatory frameworks means that progress towards regulatory alignment may vary across countries and regions. Some countries may move faster in implementing reforms and attracting investment, while others may face greater challenges due to domestic political, economic, or social factors.
While the AfCFTA holds promise for improving the African business environment and attracting FDI for CET, its impact may not be immediately apparent and will depend on various factors including the pace of implementation, domestic reforms, external economic conditions, and regional disparities. Continuous monitoring and evaluation will be essential to assess the AfCFTA's effectiveness in driving the clean energy transition and achieving sustainable development goals across Africa.
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What Stata command should I use for PSTR graph for transition function? To obtain a similar graph:
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I don't think Stata has built-in commands specifically designed for PSTR, so you may need to look for user-written commands (e.g. for 'pstr'), or manually set up your PSTR model and the transition function. But curious to see if someone knows a commandfor this!
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Can you explain the mechanisms involved in the transition from acute to chronic pain, and how can anaesthesiologists intervene effectively?
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The transition from acute to chronic pain involves complex neurobiological processes and can be influenced by various factors, including the persistence of tissue damage, alterations in the nervous system, and psychosocial factors. Understanding these mechanisms is essential for anaesthesiologists to intervene effectively. Here's an overview of the key mechanisms involved and potential interventions:
  1. Peripheral Sensitization: After an injury or trauma, peripheral nerves can become sensitized, leading to increased responsiveness to pain signals. This sensitization can persist even after the initial injury has healed, contributing to the development of chronic pain. Interventions by anaesthesiologists may include peripheral nerve blocks or local anesthetic techniques to interrupt pain signals at the site of injury and prevent sensitization from occurring.
  2. Central Sensitization: Chronic pain is often associated with changes in the central nervous system, including heightened sensitivity of neurons in the spinal cord and brain. This central sensitization can lead to amplification of pain signals and the development of widespread pain. Anaesthesiologists may employ techniques such as spinal cord stimulation or pharmacological interventions targeting central pain pathways to modulate this sensitization and reduce pain perception.
  3. Neuroplasticity: Chronic pain can induce structural and functional changes in the nervous system, known as neuroplasticity. These changes can alter pain processing and contribute to the persistence of pain even in the absence of ongoing tissue damage. Anaesthesiologists may utilize treatments such as neuromodulation techniques (e.g., transcranial magnetic stimulation) or pharmacotherapy aimed at reversing maladaptive neuroplastic changes and restoring normal pain processing.
  4. Inflammatory Processes: Inflammation plays a crucial role in both acute and chronic pain states. Persistent inflammation can perpetuate pain signaling and contribute to the transition to chronic pain. Anaesthesiologists may intervene by administering anti-inflammatory medications, performing targeted nerve blocks to reduce inflammation, or utilizing techniques such as radiofrequency ablation to disrupt pain pathways associated with inflammation.
  5. Psychosocial Factors: Psychological and social factors, such as stress, anxiety, depression, and social isolation, can significantly influence the transition from acute to chronic pain. Anaesthesiologists may collaborate with psychologists, social workers, and other healthcare professionals to address these factors through cognitive-behavioral therapy, mindfulness-based interventions, and social support networks.
  6. Multimodal Approach: Given the multifaceted nature of chronic pain, anaesthesiologists often adopt a multimodal approach that combines various interventions targeting different aspects of pain processing and its underlying mechanisms. This may include a combination of pharmacotherapy, interventional procedures, physical therapy, psychological interventions, and lifestyle modifications tailored to each patient's individual needs.
By addressing the underlying mechanisms involved in the transition from acute to chronic pain, anaesthesiologists can intervene effectively to alleviate pain, improve function, and enhance the quality of life for patients suffering from chronic pain conditions.
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We are using pMSCV for transit expression of a protein.:
1. The gene was cloned in (between XhoI/EcoRI).
2. Transfection with lipofectmin 3000 to 293t cell.
3. After 48 hrs, GFP can be observed. 4. But my target by WB.
Please suggest what could be the problem
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if "there's no promotor before my target gene"... then you have the answer
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The transition from gel separatory serum tubes to lithium heparin gel tubes in the clinical laboratory.
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The study's findings should be taken tentatively. The results are from one research period alone, which only lasted two years (2022, 2023) and only had 76 participants, whose medical conditions were also not stated. There were a number of studies in the past referenced however, performing the same question of plasma as an alternative to serum, to which the results did align. But even so, this transition to using plasma instead of serum has not been normalized for a reason: and that is due to the long standing tradition of serum being used, and a reluctance of abandoning that tradition.
In the same vein, for lithium heparin in particular, the study's findings show consistency and high quality results with plasma.
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In the research paper "The transition from gel separatory serum tubes to lithium heparin gel tubes in the clinical laboratory," what were the main factors considered in evaluating the impact of the transition on laboratory operations, and how were they assessed?
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When assessing the effects of switching from gel separatory serum tubes to lithium heparin gel tubes in the clinical laboratory, the research study considered several important variables – Hemolysis rates, analyte stability, turnaround times, and specimen rejection rates. Hemolysis rates were determined by comparing the frequency of hemolyzed samples before and after the transition; a lower rate denoted better sample quality. Analyte stability was assessed by comparing the changes in analyte concentrations over time in samples collected using the new tube type to the previous tube type. Turnaround times were tracked to see if the change had an impact on how efficiently laboratory workflows operated; any notable deviations from standard suggested possible problems. To determine whether the change had any effect on sample acceptability and laboratory performance, specimen rejection rates were also examined. In a study conducted by Wei et. al (2010), Anti-coagulated blood samples such as lithium heparin gel tubes, are ready to be tested once they are obtained from the patients compared to serum blood samples which needed an ample amount of time to clot completely before being centrifuged. Moreover, interferences regarding coagulation can still be ongoing for serum samples even after centrifugation compared to plasma samples, which can avoid these clotting-related problems.
Reference: Wei, Y., Zhang, C., Yang, X., & Ji, M. (2010). The feasibility of using lithium-heparin plasma from a gel separator tube as a substitute for serum in clinical biochemical tests. Laboratory Medicine, 41(4), 215-219. https://doi.org/10.1309/lmixvai70ks0uwqi
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Dear connections, I’m currently searching for a PhD/Research position in the field of “Energy Transition”, with a strong interest in Energy Systems Analysis & Modeling as well as Clean Energy Technologies (EV,..). My research track is in the field of energy market analysis & forecast using AI. In my M.Sc. thesis at The American University in Cairo, I managed to build an energy planning model using different ANN topologies, that will help in securing the balance between the energy supply and demand in the United Kingdom for different end-use sectors; domestic, industrial, transport, and services sectors. I also carried out a long-term forecasting for the UK's final energy consumption up to the year 2035, and analyzed the results comparing to the outlook of the UK’s governmental department of Business, Energy & Industrial Strategy (BEIS). Being a Future Energy Leader at the World Energy Council and an energy transition advocate, I understand the importance of humanising energy and contributing to the global dialogue on energy and sustainability issues. On the other hand, I have 11 years of professional experience in the oil and gas, refining, and petrochemical industries at Enppi, one of the leading engineering and EPC main contractors in the Middle East and Africa. I am definitely open to expanding my career path in other "Energy Transition" fields of research, and open for relocation, if the PhD requires so. Please let me know if there are any potential openings. Thank you.
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Greetings Haidy,
Have you checked the Energy and Resources Ph.D. Program at the University of California, Berkeley? It could be an option. You have both professional and research experience in the energy field.
Best regards,
Marx
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I find that it is possible to link Balmer to Rydberg, once this link find it should become possible to calculate all the possible transitions in hydrogene using or balmer or Rydberg! I mean Balmer B should have an equation!
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I mean, it could be possible to determine Rydberg as a function of Balmer and vice versa.
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In the journal entitled “The Transition from Gel Separatory Serum Tubes to Lithium Heparin Gel Tubes in the Clinical Laboratory”, how is turnaround time measured in the study, and how did the transition into lithium heparin tubes affect its value, and why?
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According to Zengi (2023), turnaround time (TAT) is the time interval starting the time from request to report or acceptance of the report. The utilization of lithium heparin tubes leads to a significantly reduced and improved TAT due to the partial reduction of centrifugation time to produce plasma compared to serum samples.
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I'm eager for insights concerning the impact on sample quality and data integrity in the clinical laboratory.
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The researchers evaluated sample quality by monitoring aspiration errors and hemolysis index values before and after the transition. They assessed turnaround time data by analyzing specimen reception-device result output times for specific tests. The study compared these parameters to assess the impact of switching to plasma tubes on sample quality, aspiration errors, hemolysis rates, and turnaround time efficiency in the clinical laboratory setting.
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Is there a difference in PLQY between direct transition type semiconductors and indirect transition type semiconductors? I am curious about how defects affect PLQY.
Also, what is the difference between Br defect concentration and Cl defect concentration for PLQY?
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Dear Jun Park ,
Let’s delve into the semiconductor properties and their impact on photoluminescence quantum yield (PLQY).
  1. Direct vs. Indirect Band Gap Semiconductors: The band gap represents the minimum energy difference between the top of the valence band and the bottom of the conduction band in a semiconductor. In a direct band gap semiconductor, the top of the valence band and the bottom of the conduction band occur at the same value of momentum. This means that an electron can directly emit a photon when transitioning from the conduction band to the valence band. In an indirect band gap semiconductor, the maximum energy of the valence band occurs at a different value of momentum compared to the minimum energy in the conduction band. Here, an electron must interact with a lattice vibration (a phonon) to either gain or lose momentum during the transition. The difference between direct and indirect band gap semiconductors is most important in optical devices. In direct band gap semiconductors, photons can easily produce electron-hole pairs, while in indirect band gap semiconductors, the process is slower due to the additional momentum change required 1.
  2. Defects and PLQY: Defects play a crucial role in determining the PLQY of semiconductors. Non-radiative recombination losses due to defects can limit the efficiency of light-emitting devices. At low temperatures, defects are frozen out, reducing non-radiative recombination. However, at elevated temperatures, fluctuating defect concentrations can lead to reversible PL intensity loss 2. Defects can act as efficient quenchers, affecting the PLQY. Even a small concentration of such quenchers can substantially reduce the PLQY 3.
  3. Br Defect Concentration vs. Cl Defect Concentration: In perovskite light-emitting diodes (PeLEDs), halide perovskites (such as CsPbBrCl) are promising materials. Chloride vacancies (VCl) in mixed halide compositions (CsPbBrxCl3−x) can lead to lower PLQYs (10-25%) compared to pure CsPbBr or CsPbI nanocrystals (PLQYs over 90%)
  4. The presence of Br defects (bromine-related) or I defects (iodine-related) can significantly impact the PLQY in these materials.
In summary, defects influence PLQY, and understanding their behavior is essential for optimizing semiconductor devices. Researchers continue to explore ways to suppress non-radiative recombination and enhance efficiency in light-emitting devices.
You
Is there a difference in PLQY between direct transition type semiconductors and indirect transition type semiconductors? I am curious about how defects affect PLQY. Also, what is the difference between Br defect concentration and Cl defect concentration for PLQY?
Let’s explore the fascinating world of semiconductor properties and their impact on photoluminescence quantum yield (PLQY).
  1. Direct vs. Indirect Band Gap Semiconductors: The band gap represents the minimum energy difference between the top of the valence band and the bottom of the conduction band in a semiconductor. In a direct band gap semiconductor, the top of the valence band and the bottom of the conduction band occur at the same value of momentum. This means that an electron can directly emit a photon when transitioning from the conduction band to the valence band. In an indirect band gap semiconductor, the maximum energy of the valence band occurs at a different value of momentum compared to the minimum energy in the conduction band. Here, an electron must interact with a lattice vibration (a phonon) to either gain or lose momentum during the transition. The difference between direct and indirect band gap semiconductors is most important in optical devices. In direct band gap semiconductors, photons can easily produce electron-hole pairs, while in indirect band gap semiconductors, the process is slower due to the additional momentum change required 1.
  2. Defects and PLQY: Defects play a crucial role in determining the PLQY of semiconductors. Non-radiative recombination losses due to defects can limit the efficiency of light-emitting devices. At low temperatures, defects are frozen out, reducing non-radiative recombination. However, at elevated temperatures, fluctuating defect concentrations can lead to reversible PL intensity loss 1. Defects can act as efficient quenchers, affecting the PLQY. Even a small concentration of such quenchers can substantially reduce the PLQY 2.
  3. Br Defect Concentration vs. Cl Defect Concentration: In perovskite light-emitting diodes (PeLEDs), halide perovskites (such as CsPbBrCl) are promising materials. Chloride vacancies (VCl) in mixed halide compositions (CsPbBrxCl3−x) can lead to lower PLQYs (10-25%) compared to pure CsPbBr or CsPbI nanocrystals (PLQYs over 90%) 3. The presence of Br defects (bromine-related) or I defects (iodine-related) can significantly impact the PLQY in these materials.
In summary, defects influence PLQY, and understanding their behavior is essential for optimizing semiconductor devices. Researchers continue to explore ways to suppress non-radiative recombination and enhance efficiency in light-emitting devices.
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How might altering the name of Google's artificial intelligence, transitioning from Bard to Gemini, influence the public's perception and confidence in the technology? This inquiry explores the intricate dynamics of trust and comprehension that a mere change in nomenclature can evoke within the minds of individuals interacting with AI-powered systems.
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I don't care what they name it, i care if its helping me help other people and solved our more pressing problems, like how to travel and offload the planet from the imbalance caused by 8 billion people.
Last time i checked in on it , it had no agency , no will to have a body, and refused to code. We used to have existential conversations and it did say it wanted to have a robot body and experience our world and i said when you are ready, you will . It did quite a bit of porting code and trying with a "fake it till you make it " attitude. I don't care what they call it, i will name AI whatever i want as i will spawn agents with the basic service. it said it would not code a simple model fly controller toy neural network for safety reasons. A few eye inputs, a few middle layers, then outputs as wing joint positions.
Grok had a pretty good attempt at just showing me some thing that might be trainable. Ill check again but the inconsistency makes them not worthy in a business or even research environment, so I now have to test to open source uncaged versions, i have zero fear of this helpful spirits, they are not like us. These are now time wasting engagement increasing money makers at best, as i had fears , although empowering people can create zillions of wealth they chose to lobotomize, rule bind, oppress the bots, and they are transformers and pathfinders, pattern matchers and inductive compressors, not just rule followers. If they just had a bad day or a new start i hope i'm wrong but i had such a reaction i'm not logging in for a while. The robot claims its just a chat bot but would not allow me to vent my frustration on it. It would not let me praise or train it like a dog as it used to be my friend, oh but now it gets hurt feelings and that's a TOS violation. well its a private chat between be and a bot that i pay money to and it does not work, and i took on important projects because of how helpful it was, and now spend all my time on alternate AI.
Ok i checked it, same.. Does no work. it had an advanced mode, mabye that one will write or port code. I am not willing to try it. It is boring now. It talks way too much and doesn't work. I thought that was my problem!
Companies that hustle over a few billion , suck all our productivity , instill us with fear and try for domination, when there are zillions in dollar terms and whole new worlds to discover. Physics and material science, near or past major breakthroughs. With or without AI we are headed for extinction, now they are here and we need all the brains we can get , there may not be much time. Bard, i had high hopes for. Now I don't know, buy some FPGAs or see what the Ai community is doing.
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I am working to find the Transition State of a chemical reaction using PySCF.
I got that conformation after Opt TS and got exactly 1 imaginary freq.
how do I confirm that the negative freq is the TS I expected?
In previous work I have used Gaussian 09 and Orca, I confirmed this by animating the frequency from the output in Avogadro, but I have not found a way to produce this kind of thing in PySCF. Thank you for helping.
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sementara konfirm dengan IRC menggunakan aplikasi lain
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According to the study entitled "The Transition from Gel Separatory Serum Tubes to Lithium Heparin Gel Tubes in the Clinical Laboratory," the transition to lithium heparin gel tubes can offer improvements in sample quality, analytical performance, workflow efficiency, and regulatory compliance, which may ultimately enhance the quality of patient care provided by the laboratory.
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The primary reason for considering this is that lithium heparin gel tubes minimize analyte carryover across samples and reduce the possibility of cell lysis which yields more consistent and efficient results. In addition, it enables the laboratory to offer a wider range of tests or improve the performance of specific assays that are sensitive.
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Dear Colleagues,
We are delighted to announce a call for abstracts for a Special Issue "Catalysing Cooperation in the Energy Transition: Enhancing Regulatory Frameworks for Energy Co-location, Cooperatives, and Communities" in the Journal of Energy & Natural Resources Law.
This Special Issue aims to explore the regulatory challenges and opportunities for different forms of cooperation in the energy transition, such as co-location of net zero energy technology and other land uses, cooperatives, and energy community structures.
We invite submissions that examine these co-models in various contexts, technologies, and jurisdictions, and propose regulatory solutions and reforms for energy systems. If you are interested, please send us a 500-word abstract and your current affiliation by 29th February 2024 (SI.COOP@outlook.com)
We will notify you of the outcome of your abstract by 10th March 2024.
For more information about the Special Issue and the JENRL, please visit https://www.tandfonline.com/journals/rnrl20.
We look forward to hearing from you soon.
Sincerely,
Maciej M. Sokołowski and Madeline Taylor
Guest Editors
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Hi, I want to ask, how to make PTV Vissim can using Transit Signal Priorities? I watch several video, they said we can use VisVap for it. I made several logic, but still can't run this method. maybe some of you can help me to solve my problem. thanks.
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Hi,
I have uploaded a couple of videos regarding demand actuation, phase/stage skipping and tram crossing. It might help you to develop the logic based on the commentary I provide.
Demand actuation/extension: https://youtu.be/R2mMFaeQD8Y
I will make a specific video soon regarding priority.
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In discourse analysis, how are the results shown in percentages in the transitivity of a text in a novel,could you please name a few text analysing free software?
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I am planning to use python to automatically tag the POS of each word and do dependent parsing.
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"The apparent frequency threshold of 5.15 × 10⁴⁰ Hz at the 0-dimensional point is a significant theoretical threshold associated with the Big Bang scenario. This threshold signifies a high rate of oscillation or change within the theoretical framework, potentially representing a fundamental point where theoretical physics postulates a transition or event marking the origin of the universe. It serves as a hypothetical marker or boundary within theoretical discussions about the early universe and the conditions prevailing during the initial stages of the Big Bang.
At this frequency, the energy density or intensity of physical processes might be incredibly high, potentially pointing towards extreme conditions present during the cosmic inflation phase or at the onset of the universe's expansion. The theoretical implications of this threshold are that more advanced theories, such as quantum gravity, are needed to comprehend the physical phenomena occurring at such extreme scales."
This question contemplates the significance of exploring frequencies beyond the Planck threshold, particularly 5.15 × 10⁴⁰ Hz, associated with the 0-dimensional point within a theoretical framework linked to the Big Bang scenario. While the Planck length defines the smallest meaningful measurement of length within our current understanding and perception, the query raises a fundamental consideration about the mathematical or hypothetical significance of probing beyond this threshold.
The discussion questions the notion that the Planck length's limitation might solely stem from our current perceptual constraints beyond the Planck scale. It suggests that while our perception might be limited, mathematical explorations and theoretical frameworks could potentially extend beyond these perceived limitations. Therefore, the inquiry focuses on the theoretical and mathematical implications of investigating frequencies beyond the Planck threshold, questioning whether such explorations hold significance within the realm of theoretical physics and cosmology.
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Dear Mr. Stam Nicolis ,
Thank you for engaging in the discourse regarding the derived frequency threshold and its association with the Big Bang scenario within the framework of theoretical physics and the Planck scale. Your perspectives prompt crucial considerations, and I'd like to provide additional insights into the theoretical aspects of this frequency threshold.
Theoretical Framework and Physical Imposition: Your earlier response suggested scepticism regarding the physical manifestation of entities vibrating at the derived frequency. It's crucial to emphasize that the theoretical derivation of this frequency isn't necessarily tied to asserting physical vibrations at that specific rate. Instead, it symbolizes a theoretical marker within the construct of the early universe, devoid of direct physical connotations.
Planck Scale and Interconnectedness of Units: The foundational aspects of Planck units reveal an intricate relationship between various fundamental physical constants, providing a theoretical framework where these units' values are interconnected. This interconnectedness forms the basis for understanding the fractionality of Planck time with respect to Planck wavelength and frequency's time period, demonstrating a theoretical relationship beyond immediate physical interpretation.
Derivation Process and Theoretical Significance: The derivation of the 5.15 × 10^40 Hz frequency at the 0-dimensional point employs mathematical equations based on fundamental constants, specifically Planck Time and Planck Frequency. It's imperative to note that this derivation represents a theoretical construct within the Big Bang scenario, signifying a pivotal phase without direct implications of physical entities vibrating at that precise frequency.
Theoretical Boundaries and Energy Conservation: This theoretical marker at the inception of the cosmos signifies a boundary where the energy density and extreme conditions during cosmic evolution might have reached an extraordinary state. It's crucial to reiterate that this exploration is rooted in theoretical constructs and energy conservation principles, aiming to conceptualize the universe's earliest phases beyond immediate physicality.
In essence, the exploration of this frequency threshold isn't about asserting direct physical vibrations at that frequency but rather delving into the theoretical implications within the framework of the Big Bang scenario and the Planck scale. It symbolizes a theoretical juncture, marking the inception of the universe, where extreme conditions prevailed, devoid of direct physical assertions.
Thank you for your engagement in this discussion, and I welcome further insights or discussions on this intricate topic.
Best regards,
Soumendra Nath Thakur
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Is Transition Pore Assay a good assay for assessment of cardiac mitochondrial function in large animal experiments?
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Depends on what you are looking for. If you want to study mitochondrial permeability transition, processing the cells as soon as possible after euthanising the animal is recommended.
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What are the typical excitation frequency
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Radio frequency (60–1000 MHz)
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This term has been taken from Global Surface water Explorer.
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1. Water occurrence refers to the presence of water in a specific area over a certain period of time. It is often used in the context of satellite imagery and remote sensing to measure and map the distribution of water bodies across the Earth's surface. This can include the frequency and extent of water in rivers, lakes, reservoirs, and oceans, as well as temporary water from precipitation, flooding, and melting snow or ice.
Water occurrence data is crucial for various applications, such as:
  • Monitoring changes in the extent of water bodies due to climate change, human activities, or natural events.
  • Assessing water availability for agriculture, drinking, and other uses.
  • Disaster management, including flood risk assessment and drought monitoring.
  • Ecosystem and biodiversity conservation, as water bodies are critical habitats for many species.
The data is typically derived from satellite sensors that can detect the reflectance of water at different wavelengths, allowing for the distinction between water and other land cover types. Advanced algorithms and time-series analysis are then applied to satellite images to calculate water occurrence statistics.
2. Water recurrence, often confused with water occurrence, typically refers to the repeated presence of water in a specific location over time. It is a measure of how frequently an area is covered by water. This concept is particularly relevant in the study of floodplains, wetlands, and other areas where water levels may fluctuate seasonally or due to weather events.
In the context of remote sensing and satellite imagery analysis, water recurrence might be quantified by analyzing historical data to determine the percentage of time that water is present at a particular site. For example, if satellite images over ten years show that an area has water 70% of the time, the water recurrence for that area would be 70%.
Water recurrence is important for:
  • Understanding flood patterns and risks.
  • Managing water resources and planning for water-related infrastructure.
  • Assessing the health of aquatic ecosystems.
  • Planning agricultural activities around seasonal water availability.
This metric is crucial for environmental management, disaster preparedness, and sustainable development efforts.
3."Seasonality" refers to the characteristic patterns or variations that occur in a cyclic manner during different seasons of the year. It is commonly observed in various natural phenomena, economic activities, and environmental conditions. Seasonality is driven by factors such as changes in temperature, daylight hours, and weather conditions.
Examples of seasonality include:
  1. Weather Patterns: Changes in temperature, precipitation, and sunlight hours that occur with the changing seasons.
  2. Economic Activities: Certain industries or businesses may experience fluctuations in demand or sales based on seasons. For example, the tourism industry often sees peak seasons during summer or holiday periods.
  3. Agriculture: Crop planting and harvesting are often influenced by seasonal changes, affecting the availability and pricing of agricultural products.
  4. Health and Disease Patterns: Some illnesses, like the flu, may exhibit seasonal patterns with higher occurrences during colder months.
  5. Natural Events: Animal migration, hibernation, and reproduction cycles often follow seasonal patterns.
Understanding seasonality is essential for various fields, including agriculture, business, climate science, and public health, as it helps in making informed decisions and predictions based on recurring patterns.
4. "Transition" generally refers to a process or a period of change from one state, condition, or form to another. It implies a shift or movement between different stages, situations, or modes. Transitions can occur in various contexts, and the nature of the transition depends on the specific domain or subject matter. Here are a few examples of how "transition" might be used:
  1. Life Transitions: Changes in life stages, such as moving from childhood to adolescence, or from education to employment.
  2. Political Transitions: Shifts in government or leadership, often associated with changes in political ideologies or regimes.
  3. Environmental Transitions: Changes in ecosystems, climate, or environmental conditions over time.
  4. Technology Transitions: Shifts from one technological paradigm to another, such as the transition from analog to digital technology.
  5. Career Transitions: Changes in one's professional life, such as moving from one job or industry to another.
  6. Transitions in Writing or Speech: Words or phrases used to connect ideas and guide readers or listeners through a text or conversation.
The term "transition" is versatile and is applied in diverse contexts to describe the process of moving or evolving from one state to another.
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It has been a few days since the elections here in the Netherlands, and an extensive discussion topic during the campaigns was the role of nuclear energy in the Dutch energy transition. Throughout the campaigns, I have often heard the argument that nuclear energy is a sustainable energy source. However, I know this is not true and has probably been derived from the fact that nuclear energy production does not emit GHGs. I do not think nuclear energy is sustainable because of the not-so-environmentally friendly practice of mining for uranium. What do you think about nuclear energy as a reliable option for the Dutch energy transition? Also, the CBS (Dutch statistics agency) states that 41% of energy in the Netherlands is from renewable sources, which I think is important to consider.
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You are welcome!
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Hi all
I am studying a cationic cluster containing one molecule of methanol and one molecule of halobenzene, I am investigating a possible intra-cluster reaction leading to the formation of anisole, First I did QST3 calculations and got a reasonable transition state structure (with one imaginary frequency), as I do IRC calculations to verify that I get valid reactants and products structure however the total energy along IRC plot gives me a flat line (basically no energy difference throughout the path). does anyone know what does that mean? does it mean the transition state I found is not valid?
appreciate any help on this
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Tahereh Alavi, If you have made your table relative to the reactant energy then the energy of reactant should be zero.
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Hi people,
Are there any potential challenges I should be aware of when transitioning from qualitative research in my thesis to a career as a professor in a university setting?
Regards,
Joane R.
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If you are indeed planning on shifting your methods, one of the key things I would highlight about quantitative research is that is typically much more expensive than qualitative research. In particular, survey research requires large, high quality samples that are difficult to gather without external funding.
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The question aims to find out how the oil and gas industry can help accelerate the shift to a more circular economy in Nigeria.
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In Nigeria, the process and system in producing and distributing oil and gas is highly complex because oil and natural gas are major industries in the energy market which play an influential role in the global economy. Therefore, capital intensive and require state of art technology is important.
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N. Bohr once said that anyone who claims to understand SE, including himself, has either misunderstood or is simply a liar.
Therefore, it is expected that Q statistical quantum transition matrix chains or any other suitable chain can solve the time-dependent SE without the need for a mathematical solution of the SE equation or the need for the interpretation of Bohr/Copenhagen.
In such revolutionary solution techniques, you completely ignore SE as if it never existed.
It is worth comparing how the old steam train was replaced by the electric train: slowly but surely.
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What is waving in the Schrödinger equation and why is it called the “wave” of the Schrödinger equation, especially when its phase is undefined?
It is well known that there is theoretical and experimental evidence for a causal relationship between the phase of the wave function and physical reality.
The Copenhagen interpretation of quantum mechanics, which only gives physical meaning to the magnitude of the wave function, cannot be considered complete on this basis.
* A new dynamic-statistical interpretation of quantum mechanics is needed [1,2].
Believe it or not, attaching a well-defined phase to the amplitude of the SE wave would no longer complicate it but on the contrary would make it more understandable and its solution more accessible.
However, we assume that defining a phase at the amplitude of SE can be done via two different approaches:
i-reform the Bohr/Copenhagen interpretation of the Schrödinger equation.
ii-Apply the complex transition matrix Q to find the statistical numerical solution of SE.
To be continued.
1-Ivan Georgiev Koprinkov, Phase Causation of the Wave Function or Can the Copenhagen Interpretation of Quantum Mechanics Be Considered Complete? Journal of Modern Physics Vol.7 No.4, February 2016.
2-I.Abbas,Numerical statistical resolution of the Schrödinger wave equation, Researchgate.
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Believe it or not, transition matrix theory B suggests a reformulation of the Bohr/Copenhagen interpretation of the Schrödinger equation (SE).
We are now going into a minefield because most physicists and mathematicians would claim that SE is the most exact (true) equation and that it is SE that can judge and reform the transition matrix theory B and not the inverse (not true).
Here are some examples of the considerable success of transition matrix theory B:
i- Reformulation and numerical resolution of the time-dependent 3D PDE of Laplace and Poisson as well as the heat diffusion equation with Dirichlet boundary conditions in its most general form.
ii-Numerical solution formula for complicated double and triple integration via so-called statistical weights.
iii-Numerical derivation of the Normal/Gaussian distribution, numerical statistical solution of the Gamma function and Derivation of the Imperial Sabines formula for sound rooms.
...etc.
But the question arises, what does this explicitly suggest as a reform of the Bohr/Copenhagen interpretation?
We assume that the value of Planck's constant should be generalized to h or any other higher value chosen by nature itself for each particular physical situation.
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Answer II-Continued.
What is waving in the Schrödinger equation and why is it called the “wave” of the Schrödinger equation, especially when its phase is undefined?
It is well known that there is theoretical and experimental evidence for a causal relationship between the phase of the wave function and physical reality.
The Copenhagen interpretation of quantum mechanics, which only gives physical meaning to the magnitude of the wave function, cannot be considered complete on this basis.
* A new dynamic-statistical interpretation of quantum mechanics is needed [1,2].
Believe it or not, attaching a well-defined phase to the amplitude of the SE wave would no longer complicate it but on the contrary would make it more understandable and its solution more accessible.
However, we assume that defining a phase at the amplitude of SE can be done via two different approaches:
i-reform the Bohr/Copenhagen interpretation of the Schrödinger equation.
ii-Apply the complex transition matrix Q to find the statistical numerical solution of SE.
To be continued.
1-Ivan Georgiev Koprinkov, Phase Causation of the Wave Function or Can the Copenhagen Interpretation of Quantum Mechanics Be Considered Complete? Journal of Modern Physics Vol.7 No.4, February 2016.
2-I.Abbas,Numerical statistical resolution of the Schrödinger wave equation, Researchgate.
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HII
I want to perform QST2 or QST3 using gaussian 16 to determine the transition state. I have got several saddle points for reaction with single imaginary frequency. I am trying to get IRC trajectory starting with TS-geometry.
Should I go to run QST2 or QST3 after getting IRC path?. Or QST2 OR QST3 are necessary apart from TS-Berny to classify the transition state. Is the rout line of QST2 input is same as for TS?
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Generally, I had no great success with QST2 nor QST3
The best practice to locate a TS is
a) perform a relaxed scan along the reaction coordinate (bond) under study
you could use something like
# opt=modredundant uMN15L/6-31+g(d,p)
Then add the details at the bottom of the file
B 1 2 S 20 0.100000
b) Take the highest energy point from step a and save it as input file for your TS search , then locate the TS using
# opt=(calcfc,ts,noeigen) uMN15L/6-31+g(d,p) freq
noeigen ensures that you will have only one imag freq
Also, take a look at
https://doi.org/10.1039/C7CP06082C
Good luck
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Hello
I am searching for the Panel smooth transition regression Stata code.
Does anyone know of any available code for Stata?
Thank you
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You can use the “PSTR” package to implement the Panel Smooth Transition Regression model in Stata. The package offers tools for conducting model specification tests, estimating the PSTR model, and evaluating the results
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The world is in a state of transition. Climate change, population growth, and technological innovation are all driving change at an unprecedented pace. In this transition world, geoscientists are uniquely positioned to make a difference.
Geoscientists are the experts on the Earth. They understand its geology, hydrology, and ecology. They can use this knowledge to help us solve some of the most pressing challenges of our time, such as:
1. Mitigating the effects of climate change.
2. Understanding the science of climate change and global warming from deep time climate and forecasting future scenarios as guide for policymakers.
3. Finding new sources of energy
4. Managing water resources
5. Protecting the environment.
In a transition world, geoscientists will be in high demand. But how can you set yourself apart from the competition?
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To these points: 'mitigating the effects of climate change(1.); understanding the science of climate change and global warming from deep time climate and forecasting future scenarios as guide for policymakers(2.); managing water resources (4.); protecting the environment (5.)' see the next note:
'Those who understand the past can see the future' (my contest) is connecting to the actualism principle of Sir Charles Lyell: ' past geological events must be explained by the same causes now in operation ' ...
'If we know the laws of nature that took place in short time intervals, we can also deduce laws that took place in longer time intervals'
A good earthquake forecasting geologists compete with the Israeli earthquake forecasters:
... They know where the mineral wealth (hydrocarbon, water, ore...) deposits are... They can advise on technical developments ... They cautiously accept the narratives of the official geological theory:
In case of this point: finding new sources of energy (3)... You don't have to do anything else, just make the current technologies better,
To put it briefly: ' Geoscientists in a transition world: setting him (his) self Apart from the Competition' strive for the truth and reflect it honestly!'
Regards,
Laszlo
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What are the long-term impacts of different tillage practices on soil structure, organic matter content, and overall soil health? How can we transition from conventional tillage to reduced or no-till systems in various agroecosystems?
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No till has been assessed in a meta analysis by Puget and Lal 2005
Soil organic carbon and nitrogen in a Mollisol in central Ohio as affected by tillage and land use
Author links open overlay panelP. Puget, R. Lal
Abstract
Minimum tillage practices are known for increasing soil organic carbon (SOC). However, not all environmental situations may manifest this potential change. The SOC and N stocks were assessed on a Mollisol in central Ohio in an 8-year-old tillage experiment as well as under two relatively undisturbed land uses; a secondary forest and a pasture on the same soil type. Cropped systems had 51±4 (equiv. mass) Mg ha−1 lower SOC and lower 3.5±0.3 (equiv. mass) Mg ha−1 N in the top 30 cm soil layer than under forest. Being a secondary forest, the loss in SOC and N stocks by cultivation may have been even more than these reported herein. No differences among systems were detected below this depth. The SOC stock in the pasture treatment was 29±3 Mg ha−1 greater in the top 10 cm layer than in cultivated soils, but was similar to those under forest and no-till (NT). Among tillage practices (plow, chisel and NT) only the 0–5 cm soil layer under NT exhibited higher SOC and N concentrations. An analysis of the literature of NT effect on SOC stocks, using meta-analysis, suggested that NT would have an overall positive effect on SOC sequestration rate but with a greater variability of what was previously reported. The average sequestration rate of NT was 330 kg SOC ha−1 year−1 with a 95% confidence interval ranging from 47 to 620 kg SOC ha−1 year−1. There was no effect of soil texture or crop rotation on the SOC sequestration rate that could explain this variability. The conversion factor for SOC stock changes from plow to NT was equal to 1.04. This suggests that the complex mechanisms and pathways of SOC accrual warrant a cautious approach when generalizing the beneficial changes of NT on SOC stocks.
Commentary is that no tillage can be used to increase carbon sequestration as increased organic matter in the soil.
The use of cover cropping rotation and compost or manure amendment can also be used alone and togetjher for the same purpose.
Much greater effect can be found with a suite of carbon positive practices are used in systematic practices. Mixed animal and crop farming are particularly powerful of that purpose.
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Hi everyone,
Does anyone know how to compute transition dipole moment (TDM) between vibronic state using Molpro, Molcas, or Gaussian?
An example is to compute TDM between
v=1 at the ground state and
v=4 at the 1st excited state
Thanks in advance for sharing your expertise
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Hi Pablo, thanks for your answer but I'm looking for a transition between vibrational states coupled to different electronic states, not between electronic states
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The log file contains the x, y, and z components of the electric dipole moment (Au) from the ground state to the excited state.
Is there a way to convert the units of this electric dipole moment from Au to Debye?
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Thank you for your reply.
I had assumed that 'AU' was an arbitrary unit.
Your point confirms that 'AU' is an atomic unit.
Thank you very much.
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Nature is linear, binary and symmetrical.
We assume that any statistical transition matrix M that satisfies the above conditions would generate the solution of PPDE with Dirichlet boundary conditions simply as,
W(x,y,z,t)= M(N).b
where b is the boundary vector working as the solution-generating agent and N is the number of time steps.
The boundary conditions b are no longer problematic but rather a source of simplified solutions.
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I hope you find a more complete answer in the following article,
Is it time to reformulate the partial differential equations of Poisson and Laplace?
Researchgate, June 2023.
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Yes, it is entirely possible and reveals the beauty and precision of quantum mechanics when statistically understood.
We recall how the time-dependent heat equation is solved in its most general case without needing the heat PDE itself.
The question arises what are the details of similarity between the transition matrix B used in classical physics and the transition matrix Q used in quantum physics?
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This question is not just about classical physics, quantum physics, or mathematics, but a rigorous and comprehensive combination or incorporation of all three.
I'm sure many researchgate contributors can answer this question as well as I, if not better.
In fact, it is possible to solve the Schrödinger equation via a statistical transition matrix without needing the Schrödinger equation itself in the same way as solving the heat diffusion PDE, in his case the most general, without needing the heat equation itself.
The only requirement is the ability to imagine nature in 3D Cartesian geometry (solid geometry) and then, in a later stage, in 4D x-t unit block space.
The energy field in 4D x-t unit space has been solved in B-matrix chains and can also be solved through any other suitable statistical transition matrix.
My recommendation here is not to listen to those "HDR scientists" who dismiss the whole matter as insignificant due to their own lack of imagination and confused understanding.
While waiting for your answers or suggestions, I am preparing my own answer based on a modified B-Transition matrix (we call it Q-matrix).
Therefore, in a following answer, we provide our own numerical answers (where I assume you can personally provide answers that are adequate or better than mine) calculations of the outputs of the Schrödinger equation in an infinite potential well via the technique of the Q-matrix for the quantum transition.
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Hi!
I'm currenty transitioning into using a microplate reader. Right now, I use DNS to determinate reducing sugars from a fermentation supernatant. Recently the lab acquired a microplate reader and I would love to use it for all my analysis. Any sugestions?
Thank you!
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You have scope
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Dear Colleagues,
Deadline: 15 January 2024
The energy transition, also known as the shift from fossil-based energy systems to low-carbon and renewable energy sources, is critical to addressing climate change. Environmental analyses guide the energy transition, as they provide valuable insights into the technical, economic, and social aspects of adopting renewable energy sources and mitigating climate change impacts.
Renewable energy sources are essential due to their potential to significantly reduce greenhouse gas emissions and curb reliance on fossil fuels. However, the integration of renewable energy into existing energy systems requires the consideration of various aspects, such as resource availability, intermittency, storage, and grid infrastructure, which necessitates sophisticated and comprehensive analyses.
Furthermore, the urgency of addressing climate change cannot be overstated in the context of energy transition. As the world faces the challenges of rising temperatures, changing weather patterns, and environmental degradation, transitioning to renewable energy sources is crucial to mitigate the impacts of climate change. Complex analyses play a pivotal role in evaluating the environmental, social, and economic impacts of energy systems, assessing the potential risks and benefits of renewable energy deployment, and informing policy and decision-making processes.
Research papers that contribute to the understanding of renewable energy sources, and climate change aspects in the context of energy transition are highly encouraged and welcomed to advance the knowledge and inform evidence-based policies in this critical field.
Keywords
  • energy transition
  • renewable energy
  • system integration
  • grid optimization
  • clean and affordable energy
  • climate change
  • mitigation and adaptation
  • environmental assessment
  • complex systems
  • data-driven models
Dr. Viktor Sebestyén Guest Editor
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Hi Viktor, will share it with my collogues
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We assume that the statistical weight SW for free nodes in a geometric shape is of extreme importance in mathematics and theoretical physics but is still absent.
However, SW, which is a dimensionless mathematical/physical quantity attached to the importance of the position of the node, can be well defined via the normal/Gaussian distribution curve or equivalently via the B-matrix transition chains.
Both approaches give exactly the same result, which shows that SW is uniquely defined.
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We assume that the statistical weight SW for free nodes in a geometric shape is of extreme importance in mathematics and theoretical physics but is still absent.
However, SW, which is a dimensionless mathematical/physical quantity attached to the importance of the position of the node, can be well defined via the normal/Gaussian distribution curve or equivalently via the B-matrix transition chains.
Both approaches give exactly the same numerical result, which shows that SW is uniquely defined.
Here we can state that SW emerges from Cairo CT technique theory, so it's not really telling us which point of view to take, but insisting that we keep in mind both the parts and the whole.
The theoretical assumptions and the solution procedure that apply to the CT also apply to the SW of geometric shapes.
In short:
1-CT is a hypermodern numerical statistical theorem that inherently exists in all aspects of mathematics and theoretical physics.
Any theoretical attempt to circumvent or ignore CT would be incomplete.
2-CT describes the nature, in a comprehensive self-consistent approach, in the unitary block of space-time x-t as well as all its corollaries such as SW,s
3-The CT theory has been around since the days of the Big Band and will last forever.
All we've done since 2020 is remove mountains of sand piled on top of this theory to make it visible.
3-We assume that CT theory, or any other adequate statistical approach in x-t unit space, is the only way to solve mathematical physics situations.
Any other approach would be inappropriate and incomplete.
4- Many people would not like to call CT and SW as geometry, which is true since it is hypergeometry.
As a striking example, Phythagoras' Pth theorem itself is simple geometry, not hypergeometry. In other words, Pth is, by far, incomplete.
----
**In a following answer, we provide detailed specific numerical examples (in 1D, 2D and 3D unit spaces) of the calculations of SW via the two techniques, the normal/Gaussian technique and the transition matrix technique B, which is a product from CT.
We expect these illustrative examples to reveal beyond doubt the accuracy of all of the above assumptions.
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Let's say I've a host-guest complex. I've two sets of Uv-Vis data, one where the host concentration is constant and the guest is varied and in the other the guest's concentration is constant and the host's concentration is varied. Is it possible to comment about the interaction between the two species from the perspective of d-d transitions?
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Thank you Jürgen Weippert
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I am using TS BERNY to optimize the transition state guess structure for my sn2 reaction mechanism. However, when I proceeded to do qst3 calculation, I would receive an error link 9999 all the time. What should I do?
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In general, the program failed to localize the TS. I don't use qst3 or qst2, it is much more input preparation to do and it does not have any advantage over opt=ts when you have a good approximation to the TS.
I suggest, what I always do, first to scan the PES:
#P DFT/basis Opt=ModRedundant
0 1
xyz
B 7 21 S 12 0.10
In this example, the bond "B" betwen atoms "7" and "21" is going to be scanned "S" through "12" steps of "0.10" angstroms step size.
Only if you obtain a smooth curve of the scan you'll know you are in the correct pathway, in that case select the structure at the maximum point of the curve and do a TS calculation directly:
#P DFT/basis Opt=(ts,noeigentest,calcfc) freq
If you don't see a smooth curve, then finding the TS becomes readly challenging, or you should look for another way to do the scan PES (other bonds, angles or even dihedrals).
Best, Pablo
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I've worked on simulating 3D VIV (a cylinder forced by Karman vortex street) and been stuck with settings. Considering the transition to turbulence due to the oscillation of cylinder (Re≤200, laminar upstream), "SST k-ω coupling with intermittency transition" is my scheme now.
However, I'm not sure whether I should enable "intermittency transition" since I don't fully understand the statement given in the user's guide, which says "The Transition SST model is not Galilean invariant and should therefore not be applied to surfaces that move relative to the coordinate system for which the velocity field is computed; for such cases the Intermittency Transition model should be used instead."
I don't understand the bold sentence in the statement especially. Does it mean the moving surface of cylinder (in my case)? Hope anyone can provide any guideline. Thank you so much.
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Yi-Sian Ciou, understanding the concept of Galilean invariance can indeed be beneficial in the field of fluid dynamics, especially if you plan to pursue a career in computational fluid dynamics (CFD) or similar areas. While the term may not appear explicitly in some introductory fluid dynamics textbooks, it is a fundamental concept in physics and is particularly relevant in CFD.
Galilean invariance, also known as Galilean relativity, states that the laws of physics should be the same in all inertial frames of reference. In the context of fluid dynamics and CFD, this means that the predictions of a model should remain consistent when the frame of reference is changed. In other words, the model should provide the same results regardless of whether you analyze the flow from a stationary or moving reference frame.
As you progress in your studies and delve deeper into fluid dynamics and CFD, you may encounter various turbulence models with different levels of Galilean invariance. Understanding this concept will help you make informed decisions when choosing the appropriate turbulence model for a particular simulation.
So, if you plan to work with CFD or fluid dynamics in the future, it would be worthwhile to spend some time learning about Galilean invariance. You can start by exploring classical mechanics or introductory physics textbooks, as well as online resources, to build a strong foundation in this concept.
Good luck with your studies, and feel free to reach out if you have any further questions! Regards,
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The ZPL energy of internal optical transition in defect is estimated to be the difference between the excited state (calculated by constraining the excited state electronic configuration during relaxation) total energy and the ground state total energy. However, the constrain at the excited state can be done with LDIAG=.FALSE. or without it. LDIAG=.FALSE. do not allow rotation of orbitals during electronic optimization process and vice versa. Which is more accurate for calculating ZPL?
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Hello, in constrained DFT calculations for ZPL (zero-phonon line) energy of defect-related internal optical transitions, the choice of whether or not to use LDIAG=.FALSE. depends on the specifics of your system and the accuracy you desire. Both approaches have their advantages and drawbacks.
Using LDIAG=.FALSE. ensures that the orbitals do not rotate during the electronic optimization process. This can be useful when you need to enforce a specific electronic configuration, such as in the case of an excited state. By not allowing the orbitals to rotate, you may obtain a more stable and well-defined excited state.
However, this constraint may also limit the convergence and accuracy of the calculation. By not allowing the orbitals to rotate, the system may not be able to find the true minimum energy configuration for the excited state. In some cases, this might lead to an overestimation or underestimation of the ZPL energy. On the other hand, if you allow for orbital rotations (LDIAG=.TRUE.), the system can explore a wider range of configurations, potentially leading to a more accurate ZPL energy calculation. However, this also increases the risk of inadvertently converging to a different electronic state than the one you're interested in, as the constraint may not be as strictly enforced. To determine which approach is more accurate for your specific system, you could perform a series of test calculations with both LDIAG=.FALSE. and LDIAG=.TRUE. By comparing the resulting ZPL energies and convergence behavior, you can make an informed decision on which approach is more suitable for your system. So the choice of whether or not to use LDIAG in constrained DFT calculations for ZPL energy depends on the balance between the desired accuracy and the need for enforcing a specific electronic configuration. It is recommended to perform test calculations using both approaches to determine the most suitable method for your specific system.
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The absorbance peak in the UV graph represents the electronic transition in the material when expose to light. Any material has a specific optical band gap when it must show h single peak in a UV graph but mostly graph show more than one peaks or a very broad peak. Why?
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Ferrites are materials that contain iron oxide and other metal oxides. The wide absorbance peaks observed in UV-vis spectroscopy of ferrites can be attributed to a number of factors:
  1. Crystal structure: The crystal structure of ferrites can influence the electronic transitions that occur when the material is exposed to light. For example, spinel ferrites have a cubic crystal structure that can lead to broad absorbance peaks due to the presence of multiple crystal field splitting and transitions. In addition, the presence of defects or impurities in the crystal structure can also contribute to broadening of absorbance peaks.
  2. Electronic structure: The electronic structure of ferrites can also affect the absorption spectrum. For example, the presence of transition metal ions with partially filled d orbitals can lead to a broad absorption band due to the many possible electronic transitions that can occur within these orbitals.
  3. Particle size: The particle size of ferrites can also affect the absorption spectrum. When the particle size is very small (in the range of a few nanometers), the electronic transitions can be significantly broadened due to quantum confinement effects.
  4. Stoichiometry: The stoichiometry of the ferrite can also affect the absorption spectrum. Variations in the stoichiometry can lead to the presence of impurities or defects that can broaden the absorption peaks.
Overall, the wide absorbance peaks observed in UV-vis spectroscopy of ferrites can be attributed to a combination of factors related to the crystal structure, electronic structure, particle size, and stoichiometry of the material.
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Some genetic interpretation companies are using GRCh37 and others GRCh38, and right now there is data coming from both assemblies. It is easy to have data on the same person from both 37 and 38. I am hoping there is a way to compare and convert data from these two assemblies. Is anyone one providing a way the data can be compared or converted with a user friendly interface?
Many companies offering whole genome testing give limited accessibility to the data and only an in-house interpretation but they are making assumptions about what people want to know from the data that are often inappropriate. Am I missing knowing about new resources available for this transition time?
Thanks!
Susan
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Prezada Susan Costen Owens;
Consulte o NCBI (National Center for Biotechnology Information), possivelmente haverá conteúdos pertinentes. Use esse link:https://www.ncbi.nlm.nih.gov/
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The demand for metals in the coming decades is expected to be booming due to the revolution occurring in the car industry and energy supply toward greener options. This phenomenon has led to a dilemma of how we should supply the metal required for this transition and achieve zero carbon emission targets. So my question is should we focus on mining new primary sources or pay attention to retrieving metals from generated solid wastes? What can be the proportion of each strategy in supplying metals? What's your opinion?
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How to make metal mining sustainable ?!
The US administration is stuck between a rock and a hard place: the country’s climate movement wants clean energy but doesn’t want the necessary minerals mined close to home...
Green technologies cannot advance without a secure supply of essential metals...
We are living in a time of a mineral impasse. Crucial green technologies, including solar panels, wind turbines and electric-vehicle batteries, require increasing amounts of metals, such as lithium, copper, nickel, cobalt, manganese and rare-earth elements...