Materials Science - Science topic

Abstract

This paper presents a comprehensive comparative analysis between the recent quantum advantage experiment conducted on a photonic quantum processor and the Quantum Multiverse Consciousness (QMC) framework. By examining the shared findings and.... https://theomnistview.blogspot.com/2024/12/quantum-advantage-and-beyond.html

Dear Doctor

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[Abstract

People discover various materials from time to time that break the boundaries of traditional materials. Plastic is a revolutionized material, and is referred to as “a material with 1,000 uses”. This review summarized up-to-date research on plastic and its waste pollution. Plastic has a domain throughout human life with its versatile properties such as lightweight, high durability, flexibility, and low production cost. This article describes the applications, benefits, production, consumption, and classifications of plastics. Plastic commercialization began with the Second World War and grew all over the world within less than a century. The global annual production of plastic is more than 359 million tons. Despite all the benefits, plastics cause severe environmental and public health issues. Accordingly, this study addresses the major issues of plastic waste on the environment and human health. Plastics can degrade into micro to nano sizes, and those fine particles are more spreadable in air, water, and soil. Therefore, both terrestrial and aquatic animals go through various negative impacts such as ingestion, entangling, ulcers, low reproduction, and oxidative stress. Microplastics also degrade human health due to cardiovascular diseases, chronic kidney disease, birth defects, cancer, etc. The closing contains the developed end-of-life options (e.g., recycling and reprocessing, incineration with energy recovery, modification reuse, value addition, and landfilling) of biodegradable and non-biodegradable plastic wastes. Several international, regional/national level legislations and policies/concepts (e.g., plastic trade, 3R policy, and circular economy) are available to manage plastic and plastic waste generation. Plastic waste management is also discussed offering practical insights and real-world scenarios. Solutions and challenges in effective plastic waste management guide to create a more sustainable and environmentally responsible approach. Finally, this review article highlights the importance of judicious decisions and the involvement of all stakeholders to overcome the plastic waste crisis.]

Ethylene carbonate is solid at room temperature, propylene carbonate is also very polar and certainly not volatile.

Thank you, dear Dr. Onur,

I hope that it will lead to good works.

Hello Anna Ivanova,

I suggest to study "hot-shortness" topic in steels. This phenomenon is typically caused by segregation of impurity elements at grain boundaries and then forming low-melting point phases (such as iron sulfide in case of low-manganese steels with high sulfur content or copper-rich phases in case of copper-bearing steels).

You may check the results for a major grant call and search for the awarded projects. For instance, the ERC Startup grant is probably the most prominent funding for a young scientist in Europe (max. 7 years after PhD). The selected PIs had an h-index usually between 12 and 20 for material sciences but only around 8 to 12 for chemical sciences.

whats your domaine?

I can give you a perspective of being a PhD scholar. You will come a lot of confusions, self doubt, and all the peer pressure like whether i am worth it or not for a PhD. These things are common but remember if it was easy everyone will be a doctorate . About your subject specific doubt no one is there who knows all the things so don't focus on getting all the information rather narrow down your subject expertise and perform well in that and with time you will learn all the relevant things related your subject, and remember one thing its better to be master of one rather than knowledge of all master of none . Hope this helps you a bit.

Density functional theory is a quantum mechanical method for calculating the electronic structure of atoms, molecules, and materials. The main idea reduces the many-body problem to a system in which any property is expressed as a functional of the electron density instead of the wavefunction. The fundamental concepts are given by the Hohenberg-Kohn theorems and by the Kohn-Sham equations, which transform the interacting system into a model of noninteracting electrons. At the core of DFT lays some exchange-correlation functionals, such as LDA and GGA; these approximate the interaction between electrons. It is also greatly used in material science and nanotechnology for the prediction of molecular geometries, electronic properties, and reactions. In spite of its efficiency, the challenge of DFT is strong electron correlations and functional accuracy.

Cutting holes in a CFRP (Carbon Fiber Reinforced Polymer) structure can indeed affect its mechanical properties, especially stiffness and strength. You're right in your intuition that the fibers in CFRP play a significant role in determining its mechanical behavior, so cutting through them can reduce its structural integrity if not done correctly. However, it's not necessarily a bad idea to cut CFRP for your design; it just requires careful consideration of the fiber orientation and post-processing steps.

Here are some key factors and recommendations to consider:

1. Fiber Orientation and Load Path

2. Cutout Shape and Size

3. Post-Processing to Prevent Fraying or Delamination

4. Lamination or Reinforcement

5. Effect on Thermal Expansion

Selected Area Electron Diffraction (SAED) and Fast Fourier Transform (FFT) are both used to analyze the structural information of materials at the nanoscale, but they differ in their origin, method of acquisition, and application, even when applied to the same High-Angle Annular Dark Field (HAADF) image.

1. SAED (Selected Area Electron Diffraction):

2. FFT (Fast Fourier Transform):

Key Differences:

In summary, while both SAED and FFT provide information about the crystalline structure of a material, SAED is obtained from direct electron diffraction, while FFT is a mathematical analysis of a HAADF image. Both can be useful depending on whether you're working directly with diffraction patterns or analyzing an image post-acquisition.

Thanks Professor Merve Özcan

I am working on vanadate materials, I think they are so complex, they take a lot of time in calculations

Dear Harsha Haridas e S

According to SCImago https://www.scimagojr.com/journalsearch.php?q=13886&tip=sid&clean=0 and the latest JCR report (see enclosed file) this is a Q2 journal in Materials Science.

Best regards.

PS. According to SCImago it is a Q1 journal in Condensed Matter Physics.

Thank you so much Mr. Tobias Makuochukwu Onyia for your time and very detailed response to my query.

Dear Erick Monsibais ,

Hope this helps: if you are looking to develop a project within materials science, vacuum technology and skin phantoms, it is worth checking for a person that either has a material engineering degree, or a chemistry degree. The chemistry knowledge would be good in case you want to develop some novel material, to correlate how different raw materials react to form some material and the expected properties, and the materials science knowledge would be useful to understand how a certain material behaves against different conditions or as a function of its structure. I would look for a materials or chemical engineer, focused on chemistry during their postgraduate studies or the opposite way, a chemist focused on the development of novel materials during their postgraduate studies.

Hope this helps!

Thank you Mr. Vinodh Sekar for your detailed reply.

I don't want to click Recommend on an answer obviously generated using AI, but Shashikumar Ss's answer is very good, this time.

A novel variable into game theory could indeed be a valuable contribution to the field, potentially offering new insights or enhancing existing models. Here’s how you might conceptualize and present such a "present" to science:

Conceptualizing a Novel Variable in Game Theory

Presenting Your Contribution

Example Scenario: Introducing Emotional State as a Variable

By presenting a novel variable in game theory, you contribute not only to theoretical advancements but also potentially to practical applications in fields ranging from economics to social sciences. Your "present" to science could pave the way for deeper insights into human behavior and decision-making dynamics.

3.5

Doping/Substitution of an element in QE

ChatGPT

In the context of quantum mechanics and materials science, "QE" typically refers to Quantum Espresso, which is an integrated suite of open-source computer codes for electronic-structure calculations and materials modeling. Doping or substitution of an element within Quantum Espresso involves simulating the introduction of foreign atoms (dopants) into a material to study its electronic and structural properties. Here’s how this process is generally approached:

Doping/Substitution in Quantum Espresso (QE)

Example Scenario: Doping Silicon with Phosphorus

Impression

Doping or substitution of elements within Quantum Espresso allows researchers to explore how the introduction of foreign atoms influences the electronic and structural characteristics of materials. This approach is fundamental in materials science for understanding doping mechanisms, predicting material behaviors, and designing novel materials with tailored properties for various applications.

3.5

Hi, it's simple:

Creep = constant stress, but deformation (shape, dimensions, etc.) changes in time.

Relaxation = constant strain = the body still has the same outer shape, but the inner structure is rearranged to release stress.

Recent works confirm that elliptical cracks cannot expand under applied shearing stresses parallel to their planes. Please see: Conoidal crack with elliptic bases, within cubic crystals, under arbitrarily applied loadings-I. Dislocation, crack-tip stress, and crack extension force; -III. Application to brittle fracture systems of CoSi₂ single crystals (III). Theory and experiments completely agree.

Progress is achieved with respect to previous description:

1) The crack extension force G, per unit length of the crack front, is now available in analytical form

2) G value now includes the contribution of gravitational forces due to the earth.

Please refer to “BRITTLE CRACKS IN A THREE-DIMENSIONAL ELASTIC HALF-SPACE UNDER THE RECTILINEAR CONTACT PRESSURE OF A CYLINDER: INTRODUCING GRAVITATIONAL FORCES”.

Cross-slip, twinning, and fracture systems under applied loadings receive the same mathematical theory using continuous distributions of elliptical dislocations in the framework of linear elasticity. Essentially the theory provides a quantity G that is a ratio, defined as the decrease ΔE of the total energy of the system divided by the corresponding change ΔS of the surface of the dislocation distribution, after incremental infinitesimal time dt: G= -ΔE/ΔS. In fracture G is the energy release rate or crack-extension force per unit length of the crack-front. Stationary configurations under which d<G> = 0 are those observed experimentally. <G> is the value of G averaged over all the spatial positions on the defect front. Please refer to the following works for details: Conoidal crack with elliptic bases, within cubic crystals, under arbitrarily applied loadings-I. Dislocation, crack-tip stress, and crack extension force; -II, III, and IV: Application to systems of twinning in copper (II), fracture in CoSi2 (III), and cross-slip in copper (IV). Theory and experiments completely agree.

Dear Doctor

[Interaction:

The situation or occurrence in which two or more objects or events act upon one another to produce a new effect; the effect resulting from such a situation or occurrence.

Reaction:

An action or statement in response to a stimulus or other event.]

The main difference is that while absorption involves the mass transfer of particles into another material (one substance absorbing another), adsorption takes place with the adhesion of particles onto the surface of a substance. absorption is the process in which a fluid dissolves by a liquid or a solid. In the case of Adsorption, the atoms, ions, or molecules from a substance adhere to a surface of the adsorbent

Hamza Elaamri

Hello! When substituting an atom within a unit cell in quantum espresso (QE), whether you need to create a supercell depends on various factors, including the size of the substituted atom compared to the original X atom and the specific properties you're investigating.

In general, if the substituted atom significantly alters the unit cell's dimensions or introduces strain, creating a supercell may be necessary to maintain the system's integrity. Additionally, if the substitution leads to a change in the system's symmetry, a supercell may be required to accommodate these changes.

However, if the substituted atom is of a similar size and chemical nature as the original X atom, and the substitution does not significantly affect the unit cell's properties, you may be able to perform the substitution within the existing unit cell without creating a supercell.

It's essential to consider the specific requirements of your simulation and the desired accuracy of your results when deciding whether to use a supercell or perform the substitution within the unit cell. Experimentation and careful analysis of the system's behavior can help guide your decision-making process.

Ultimately, the best approach may vary depending on the specific characteristics of your system and the goals of your research. Feel free to provide more details if you need further assistance!

Best regards,

Sandeep

The discrepancy in the number of atoms between an XYZ file and a POSCAR file could arise due to various reasons, primarily stemming from differences in file formats and how the atomic positions are represented.

Thank you for your invitation. please send me the main topics we can write about.

I hope I can attend this conference.

Colored cotton as a base for Biofunctional textile

Hey there Divya Selvakumar!

First off, congrats on finishing your Ph.D. in material science, that's quite an accomplishment!

Regarding your question about applying for an EngD, it depends on a few factors. EngD programs typically require a master's degree or equivalent professional experience, so having a Ph.D. might actually put you Divya Selvakumar in a strong position. EngD programs are designed to provide advanced training in engineering alongside industrial experience, so your background in material science could be a great fit.

Since you've submitted your Ph.D. thesis and are waiting for your VIVA, you're still technically a Ph.D. candidate. Many EngD programs allow candidates to apply, although you Divya Selvakumar may want to double-check the specific requirements of the programs you're interested in.

In my opinion, your expertise in material science could bring a valuable perspective to an EngD program, combining academic research with practical engineering applications. Plus, EngD programs often offer attractive opportunities for collaboration with industry, which could enhance your career prospects.

So, to sum up, yes, you Divya Selvakumar are likely eligible to apply for an EngD program, and I'd encourage you to explore your options further! If you Divya Selvakumar have any more questions or need further advice, feel free to ask.

I would probably proceed in this way -- take your unit cell and double it in any direction. Then shift it by half a unit vector -- you should have displaced some of the Mn atoms back to the corners. Construct your anti-ferromagnetic states and then revert to your unit cell. Does this give you back the same structures for A and G?

On the other hand, it is possible that with your reduced symmetry the two antiferromagnetic configurations are the same.

Regards,

Roberto

It is quite common to present talks or posters on the basis of previously published papers. However, care must be taken when contributing to the proceedings of the conference so as not to infringe the copyright of the journal's publisher.

Please inform me the name of the main Organizing Institute for this Conference.

I think that the gas pressure is a critical factor. Increasing the gas pressure will raise the collision frequency and the sputtering rate, but it will reduce the average mean free path of the sputtered atoms to reach the substrate and will also reduce the adhesion.

So, it is better to control the gas pressure in low range to have better adhesion and allow a longer mean free path of the sputtered atoms reaching the substrate.

Hello, we tried working with the following electrolyte: 700 mL ethanol (absolute), 120 mL distilled H2O, 100 mL 2-butoxyethanol, 80 mL HClO4 (60%). At a temperature of + 10 C, a voltage of 27-30 volts and a polishing time of 15-20 seconds, it was possible to obtain a polished surface on 5xx alloys and aluminum with a purity of 99.9%. For aluminum alloys 3xx and 4xx, the voltage was raised to 50 volts.

NB: Not all stainless steel are Non-magnetic there’s different types some are Magnetic.

It is necessary that steel contains iron and has either a martensitic or ferritic crystal structure in order to “be magnetic.”

Data science

I can't help as partner, but I can help to prepare a project that will help you find a partner. Using an equation of state for materials under stress, you can study the relationship between the specific surface area of nanomaterials, their concentration and the properties of composites. I would guide you to "enter" this subject and you would then present it to organizations like the CNRS in France.

Another crucial information may be supplied by the company concerning the type/name of the initiator used in the addition ROP of ethylene oxide. This is important in that end groups usually have their own intrusion in many properties and behaviors. Also you may ask if the PEG 100 has been the subject of further post- polymerization treatment. Best of luck in your work.

Thank you for the information

I am interested to work with you. Currently working in in the of Material science and Nanotechnology at Chinese Academy of Sciences. Feel free to contact me.

Dear Sarabjeet Kaur ，For more details please visit the conference website:

Ah, a fellow scholar Renault Tjandera! It is most stimulating to encounter someone who shares an enthusiasm for the realm of in silico methods in chemistry, extending beyond the realm of pharmacology and drug design. Allow me to offer a few suggestions for areas of inquiry that may pique your interest: 1. Materials Discovery and Design: In silico methods can be harnessed to predict the properties of novel materials, such as polymers, catalysts, or nanomaterials. Techniques including density functional theory (DFT), molecular dynamics (MD) simulations, and machine learning algorithms can facilitate the virtual screening and optimization of materials exhibiting desired properties.

2. Reaction Prediction and Mechanism Elucidation: Computational methods can expedite the process of chemical synthesis by predicting reaction outcomes and elucidating reaction mechanisms. QM/MM simulations and transition state searching algorithms can provide valuable insights into reaction pathways and selectivity, allowing for more efficient and effective synthesis processes.

3. Chemoinformatics and Data Mining: In silico methods can be applied to analyze large chemical databases and uncover meaningful patterns and relationships. By leveraging these techniques, one may gain a deeper understanding of chemical compounds and their properties, enabling the discovery of novel therapeutic agents, catalysts, and other valuable compounds. I trust these suggestions will be of interest to you Renault Tjandera, my colleague. The realm of in silico chemistry is vast and exciting, with endless opportunities for innovation and discovery. I eagerly anticipate your contributions to this field! In silico methods, including machine learning algorithms and computational techniques, have shown great promise in predicting various chemical properties, such as toxicity, solubility, and bioactivity, based on molecular structure. These approaches have the potential to revolutionize the field of environmental chemistry and sustainable chemistry by enabling the design of environmentally friendly chemical processes and the prediction of the fate and transport of pollutants in the environment. In the realm of chemical biology and protein engineering, in silico methods play a crucial role in understanding the interactions between small molecules and biological macromolecules, such as proteins and nucleic acids. Molecular docking, molecular dynamics simulations, and structure-based drug design approaches can aid in rational drug discovery and protein engineering efforts, providing valuable insights into the binding affinity, dynamics, and function of these molecules. These are just a few examples of the diverse applications of in silico methods in chemistry, highlighting their potential to transform the field by providing a predictive and efficient means of understanding and manipulating chemical systems. By leveraging the power of computational methods, researchers can accelerate the discovery of new materials, drugs, and technologies, ultimately leading to more sustainable and environmentally friendly solutions.

Dear Dash,

Please, send me detail description of your new project about silver particles.

It is very interesting and antimicrobile. And about magnetic materials too.

Hello,

Are both the Mg & Zn elements entered in the Matcalc thermodynamic database ?

Furthermore, is the MgZn2 phase considered ?

Can you calculate the Gibbs energy function of MgZn2 and compare it to some handbook values ?

Regards

Just send me one data file in the range from 340 to 830 nm, I will make the colorimetric calculation and send you the color label. You will compare it with the color of the sample and decide whether you spectrometer works well in this respect.

Coulombic efficiency and energy efficiency are generally used to measure battery efficiency. These are indicators that show how much the battery can be discharged compared to charging. The difference is that coulombic efficiency is the ratio of the amount of electricity, that is, Ah (discharge)/Ah (charge), while energy efficiency is the amount of electricity multiplied by the average voltage, Wh (discharge)/Wh (charge).

I believe that energy efficiency is used to measure primarily economic efficiency of battery systems, as Coulombic efficiency measures primarily electrochemical properties of active materials.

You have to see: Materials science and Engineering an Introduction, tenth edition by William D. Callister, Jr.

I think it´s a good book.

Yes, you can include that data in your literature with a proper citation.

Shei S. Also take a look at:

Now consider 2 particles - one of 20 units and one of 300 units. Which one do you prefer? On a number basis they have equal validity (weighting). Imagine they're particles of gold, which one would you like? The volume and mass of the 300 unit one is over 1000 time (1125 to be precise) that of the 20 unit one. That's over 1000 times the value... Most materials are sold on the basis of mass or volume? When was the last time you bought or specified 3 million particles of cornflakes?

Hey there Jawad El Hamdaoui! Well, diving into the fascinating world of defect analysis in semiconductors, especially CIGS chalcopyrite materials, let me break it down for you Jawad El Hamdaoui.

Density Functional Theory (DFT) is a powerhouse when it comes to studying the impact of defects on the optical and electronic properties of semiconductors. Now, to leverage DFT effectively in this context, we're essentially looking at simulating the behavior of electrons within the crystal lattice.

First things first, we'd model the perfect crystal structure without any defects, setting the baseline. Then, introduce various defects like vacancies, interstitials, or substitutions in our simulation. I got the mojo to analyze how these deviations affect the electronic structure and optical properties.

For optical properties, we're interested in things like bandgap changes, absorption spectra, and how defects influence the semiconductor's ability to absorb and emit light. DFT helps us get down and dirty with these details.

On the electronic front, we're talking about changes in charge carrier concentrations, mobility, and the overall conductivity of the semiconductor. DFT lets us peek into the quantum world, unraveling the impact of defects on these crucial properties.

Now, cleverly, we can utilize DFT to predict not just the existence of defects but also their energies and the likelihood of occurrence. This allows us to prioritize which defects might be more influential in altering the semiconductor's performance.

But hey Jawad El Hamdaoui, keep in mind, while DFT is a potent tool, it's not without its nuances. Approximations are inherent, and I suggest cross-referencing results with experimental data for a well-rounded understanding.

So, in a nutshell, my advice: Embrace the power of DFT, dance with the defects, and unravel the secrets of CIGS chalcopyrite materials like a maestro of semiconductor symphonies!

You are requested to refer my research papers on eco-friendly materials

Mohazzam Saeed You can measure specific surface area via a number of techniques e.g. BET, porosimetry. You can measure particle size distribution (PSD) via a large number of techniques. For example, with laser diffraction one can measure the PSD for the spray emitted from a carburetor. Reactivity of a burning material (and petroleum is no different) is governed by oxygen access to the surface. The 1/d² relationship is basic and discussed in any standard particle size textbook. Take a look at these webinars (free registration required). References to basic texts are provided within these:

Particle Size Masterclass: Why Measure Particle Size?

How to measure particle size distribution

Basic Principles of Particle Size Analysis

Good luck with your research.

Informative!! 👍👍

Quality by Design (QbD) and Life Cycle Assessment (LCA) are two methodologies that can be used to improve the quality and sustainability of products and processes in various industries. Here are some examples of how these methodologies can be applied in practice and some resources that provide more information on the topic:

QbD can be used in the pharmaceutical industry to design and develop drug products that meet predefined quality attributes. The QbD approach involves identifying and controlling critical quality attributes (CQAs) throughout the product lifecycle, from development to manufacturing and distribution. Some resources on this topic include:

"Quality by Design for Biopharmaceuticals: Principles and Case Studies" by Anurag S. Rathore and Rohin Mhatre, which provides an overview of QbD concepts and case studies in the biopharmaceutical industry.

"Implementation of Quality by Design (QbD) in the Pharmaceutical Industry: A Systematic Review" by Naresh Kumar, which reviews the literature on QbD implementation in the pharmaceutical industry and identifies key success factors and challenges.

LCA can be used to evaluate the environmental impacts of products and processes throughout their entire lifecycle, from raw material extraction to end-of-life disposal. LCA can help identify opportunities for improving the environmental performance of products and processes. Some resources on this topic include:

"Introduction to Life Cycle Assessment" by Mary Ann Curran, which provides an overview of LCA concepts and methodology.

"Life Cycle Assessment: Principles and Practice" by Michael Hauschild and Ralph Rosenbaum, which provides a comprehensive guide to LCA methodology and applications.

QbD and LCA can also be used together to design and develop sustainable products and processes that meet predefined quality attributes while minimizing their environmental impacts. Some resources on this topic include:

"A Review of Quality-by-Design and Life Cycle Assessment Concepts in the Pharmaceutical Industry" by Saeed Shojaee and Seyed Mohammad Razavi, which discusses the integration of QbD and LCA in the pharmaceutical industry.

"Quality-by-Design and Life Cycle Assessment for Sustainable Chemical Processes" by Damien Landesmann, which provides a framework for integrating QbD and LCA in the chemical industry.

Overall, the application of QbD and LCA in product and process design can help improve the quality and sustainability of products while minimizing their environmental impacts. There are many resources available on these topics, and the examples provided above are just a few to get started.

Basically right. In optical calculation, NBANDS number should be more to include empty bands. If your bands number is insufficient, vasp will reminder you.

Go and test.

Please check the journal's guideline: