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Hi Guys,
I'm starting using GROMACS. I want to simulate a decane-gemini surfactant-water interface. Here's the thing:
When I run the EM, the program finishes it but at the end of the output file says something like this: "the EM finished but the force on atom XXXX (I don't remember it right now) couldn't get < 1000."
Actually, the force on that atom is infinite "inf". So, I really need to solve this problem quickly. Can anybody help me with that? Thanks a lot guys.
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Please check your initial structure for overlapping atoms. Atom XXXX reported by gmx may be too close to other atoms.
Best,
Felippe.
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Hi all,
I want to download some reference microbiome data from NCBI sequence Read Archive (SRA). I previously used fasterq-dump or fastq-dump to download the data, and the data were used to be downloaded successfully. However, I don't know why, I cannot download some SRR accession somehow recently. And my linux interface has shown errors as attached. They said the accession is invalid. So I also try other reference accession, and they showed the same errors again and again. Did anyone know what is the problem? Is it usual? Are there any other download tools for SRA accession recommended? Many thanks in advance! :-)
Kind regards,
Chiao-Jung
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There is a new interface needs to review from Twitter.Are there any other way to get that? Thanks
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I am planning a systematic review. For my last review, I searched different databases and uploaded the hits to my profile on covidence.org. However, their free trial now only allows 500 citations to be uploaded. I loved covidence's interface for very quick manual screening on titles, however, it's too expensive. Does anyone know of a free alternative, which is equally efficient for fast screening? Thanks in advance.
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Rayyan
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I m getting this output:
IMU initialization unsuccessful
Check IMU wiring or try cycling power
Status: -5
How to initialize the IMU sensor.
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Can Unified payments interface be an effective solution towards a better digital payment system?
If so can it be introduced in third world countries?
please provide your valuable thoughts, the pros and cons.
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Thanks a lot for your valuable feedback professor
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ρ∂u/∂t+ρ(u.∇)=∇.[-pI+K]+F
I need to add -∂/∂_x (ρU_0 u_j ) this term in all three coordinates instead of F
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There are many articles on the Web and books published on the Navier-Stokes equation and the various methods of solution. The velocity gradient and momentum terms are well documented.
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I want to understand the difference between void and pits on anode- electrolyte interfaces during Li stripping processes and the factors which enhance their formation and growth.
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The recently published paper in [1] by Victor Venturi and Venkatasubramanian Viswanathan titled "Thermodynamics of Lithium Stripping and Limits for Fast Discharge in Lithium Metal Batteries" provide a deep understanding of mechanism of void formation and pitting in lithium metal anodes. Please go through, it is helpful and any feedback from you is welcome.
Best regards
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For thermal contact conductance estimation, selection of plastic or elastic deformation models is based on plasticity index. At lower pressure at the interface, the deformation of surfaces may be elastic even though the plasticity index is greater than 1. Plasticity index will not account for pressure.
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Dear Researchers,
There are mechanical models for conforming rough surfaces whose contacting asperities deform (i) elastically, (ii) plastically, or (iii) elastoplastically. To know whether the deformation will be plastic or elastic in a given situation of temperature and load, the concept of plasticity index is used. The “plasticity index” indicates the mode of deformation occurring in the contact [8]. The deformation of an asperity is said to be elastic up to some given load for a given hardness of the material above which plastic flow will occur.
Source: DOI:10.1098/rspa.1966.0242
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I am getting the error 'missing value where TRUE/FALSE needed' in G2Sd package of R programming when I input the table containing mesh size in microns and its weight in g. I used the code library(G2Sd) and then granstat(web_interface = TRUE). When the web interface dialog box is opened I gave the input and this error occurred. How to rectify it and also is there any example dataset of the table to be given as input?
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Dear Yamini,
'missing value where TRUE/FALSE needed' is a general error message and is probably not thrown by package 'G2Sd'. R throws this error when a condition used in if or while is not TRUE or FALSE but NA. Of course the error is somehow connected to G2Sd and your data (it might be caused by a bug in G2Sd or one of its required packages), but for debugging you should examine the result of traceback() called right after the error message. Maybe this shiny application catched the errror with a tryCatch(), in this case it is really hard to debug. If the error message displayed by shiny is also sent to the R session in the form of a warning, you can start debugging by turning warnings to errors (options(warn = 2)).
HTH,
Ákos
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When applying Maximum Stress Criterion on ANSYS composite PrePost, I noticed that interlaminar stress limit (S3) accounted for by the software is 50% of the out-of-plane stress limit (Z) defined by the laminate properties. However, I didn't find any thing in the documentation that refers to the value of this weakening factor.
Can any one provide me with a reference for this assumption?
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I do not think there is a weakening factor. The values you have are depending on the material properties.
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Dear colleagues
I have a question:
In interface shear studies between sand and structures such as geosynthetics or CFRP , how we can calculate or achieve initial relative density for internal and interface friction angles at critical state?
Based on which ASTM, or through which experiments.
Please let me know if you have an answer about this question.
Thank you for your kind responses.
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It is stress dependent at relativly very low stress level
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Hello everyone. I am very new to GROMACS and molecular dynamics in general and I want to simulate an acid at the water-vapor (or vacuum) interface. I am curious about how exactly can be set up this system. What I did,
  1. Created a simulation box containing an air-water interface.
  2. Minimized the energy of the system and equilibrated it. now i want to place an acid molecule on the interface. Can anyone please suggest me know how should I proceed?
Thank you.
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Dear Neha,
Create a simulation box and place the acid at the top edge. Solvate with water. Set position restraints on the acid and run an energy minimization step and a short nvt and npt equilibration. Increase the z edge of the box and use the empty space over the water layer for the vapor phase.
I have built a similar biphasic system in
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Hi,
I am using VOF model to simulate interaction between two fluids. I need to consider heat flux at the interface between two fluids to study solidification of one of the fluids. I was wondering is there any way in ANSYS FLUENT (or other CFD packages) to apply such a boundary condition?
Thank you,
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Thank you so much for your answers.
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Hello!
I'm writing a VUMAT for a cohesive zone/interface model and I understand that Abaqus should provide the strain increment at each time step and proceed with the calculation of new values of stress, following the subroutine I wrote.
The problem is, at the beginning at the very first time step, the strain increment provided is equal to zero. Later, in my code, I need to calculate the tangential stiffness of that element based on the strain increment. With zero strain increment, the stiffness value can't be calculated, and everything else just goes downhill from there. I end up with an error message of "excessively distorted element", which makes sense since the stiffness of that element is nonexistent.
I have checked some other VUMAT subroutines, and none of them have a zero strain increment at the first time step. So I don't understand why I'm getting zeros, or even if it is possible that my code contributed to that somehow.
Please, let me know if anyone has ever faced something similar. I am also not sure on how Abaqus calculates/estimates the values of strain increment, so any insights on that will also be appreciated. 
Livia
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In terms of VUMAT, I think we should make sure the material is elastic when stepTime and totalTime are zero (might be the very first time step mentioned here?). Thus, in our model, the material should have its initial elastic stiffness matrix. If you don't have it, then VUMAT will tell you "bad material".
Therefore, even if the elastic stiffness matrix in your material model depends on the strain increment, you have to make sure you have an initial elsatic stiffness matrix (again, when stepTime and totalTime are zero).
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Hello,
I'm working on the development of a solver to simulate fluid structure interaction (FSI).
I'm using a weak coupling algorithm to exchange forces and displacements between the two software at each time step. This means that I have a time lag between the structural and fluid subdomains, therefor the energy is not conserved at the interface and leads to instabilities during the simulation.
The error introduces by this time lag should be proportional to the time step, decreasing the time step should reduce the time lag and results to less instabilities during the simulation.
In my case, instabilities occur earlier and stronger when my time step is 10(^-6) than when it is 10(^-4). (Each solver work perfectly with a time step of 10(^-6) if it is not coupled to the other)
I know that most of the fluid structure solvers use a strong coupling algorithm to solve the interface energy in an implicit way but I wonder why reducing my time step with a weak coupling algorithm lead to increase the instabilities?
Thanks for your help
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A weak coupling introduces a stability condition at the interface (even on each side you have an implicit scheme). It depends on the way you deal with the conditions at the interface. So it is difficult to answer without more informations.
For steady conjugate heat transfer, you can take a look at the work performed by Herrera et al. in JCP (or Salem PhD) or Giles 1997, Int. J. for Numerical Methods in Fluids , 25 :421436. For FSI I don't know
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How can I interface different python (or any other language) based AI/ML models with NetSim? Any examples would be very helpful.
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You can interface NetSim with Matlab via python. You can use Multi_parameter_sweeper(MPS) for NetSim which runs the simulation multiple times for the given array of input parameters. See this for details https://www.tetcos.com/pdf/v13.1/NetSim-Multi-Parameter-Sweeper_v13.1.pdf
Now, you can call the Matlab engine from runTest.py (a file in MPS), where Matlab generates the simulation parameters. You can call Matlab synchronously or asynchronously based on the requirements.
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Hi, everyone.
I have a question about the photocatalyst related to the Z scheme heterojunction.
First of all, sorry for my poor English.
The research that I read is as follows:
[Hierarchically Porous WO3/CdWO4 Fiber-in-Tube Nanostructures Featuring Readily Accessible Active Sites and Enhanced Photocatalytic Effectiveness for Antibiotic Degradation in Water] (ACS Appl. Mater. Interfaces 2021, 13, 21138-21148.)
Figure 4. (a) and (b) shows the light absorption properties and calculated band gap of heterojunction.
In Figure 4a, the absorbance edges of CdWo4 and WO3 occur at about 330 nm and 500 nm, respectively.
When a heterojunction is formed with WO3/CdWO4, the absorption edge is almost at 440 nm, demonstrating that the absorption property is improved as heterojunction is formed.
In Figure 4b, the band gap of CdWo4 and WO3 were 2.80 eV and 3.70 eV, respectively, and when heterojunction was formed, the band gap of WO3/CdWO4 was adjusted to a value of 3.10 eV.
I have a question at this point.
I wonder why the bandgap decreases (or changes to an intermediate value) as the heterojunction is formed.
As far as I know, the Z-scheme is explained by the following mechanism.
- The two materials generate photogenerated electron-hole by photon energy (hv).
- Then, O2 radicals are generated by the electrons at lower potential CB, and OH radicals are generated by the holes at higher potential VB.
- At the same time, the recombination between the electrons at higher potential CB and the holes at lower potential VB, resulting in increased photocatalytic efficiency.
Here, for proper operation of the Z-scheme, each material must be able to generate photogenerated electron-holes.
So, I think that photon energy corresponding to a material with a larger band gap is required.
However, as shown in Figure 4b, when two materials form a heterojunction, the band gap changes to the value between each material.
I think this energy is insufficient to excite the material with a larger band gap energy.
How is this mechanism possible?
If you have any ideas or related research about this, please introduce them to me.
Thanks for reading.
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First of all, Z-Scheme is just a type II staggered band aligmenent which is differentiated by only the charge transfer route in comparison to the type-II assembly. While the reduction or alteration of the bandgap can be ascribed to band bending and the formation of intermediate bandgap states between the conduction and valence bands due to doping or other structural modifications, resulting in narrowing of bandgap.
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Do the six jump conditions (difference between inner and outer limits of pressure, x-velocity, and v-velocity and these three quantities' normal derivatives) for these two problems change with respect to time, i.e. have a time variable "t"; or do these conditions don't have time variable "t", but still need to be updated when interface changes? The following two membrane problems are found in Sections 10.2.6 and 10.3 in textbook on immersed interface method (IIM), The Immersed Interface Method Numerical Solutions of PDEs Involving Interfaces and Irregular Domains by Zhilin Li.
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The figures address a time-dependent problem, where is written that the solved equations are steady?
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I have heard that the new BME688 sensor can be used to detect Volatile Organic Compounds (VOCs), volatile sulfur compounds (VSCs), and other gases such as carbon monoxide and hydrogen. However, we could not really understand how to interface this sensor and which codes to use in order to obtain these data. Presently, we know of codes that can help us find out Air Quality Index but that is limited to temperature, pressure, and humidity. If anyone has researched about it or knows a way to obtain the other data using Raspberry Pi, please let me know! Thanks!
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Dear Researcher,
Suppose there is two concentric hollow cylinder and by some metal forming process the inner cylinder is plastically fitted with the outer cylinder in such a way that there is sufficient contact pressure is generated between the two cylinder interface and they are plastically shrink fitted.
Now this assembly place in a high temperature and high pressure environment and due to creep there is decrease in contact pressure.
Can anybody suggest me how to modelled this whole process in COMSOL so that we can find out the decrease in contact pressure with time.
I also have to modelled that if there is a very small hole (gap) at the interface of two cylinder then how the diameter of this hole is changes with time?
If someone using other FEA software or code then please suggest?
Thanks for your valuable suggestions.
Shyam Kishor
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For that thing you may try the following (but again in ANSYS, I hope similar options will be available in COMSOL):
1. Plot the radial deformation of nodes at the interface near the cavity in time history postprocessor it will show at what time point (or load step) diameter of cavity starts increasing.
2. If you are interested in understanding any leak through that cavity, contact pressure zero or contact status open may be used as the indication of the same.
Regards
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Hi all,
There are instructions on the steps of running ‘align’ in a command-line way as shown in the following explanation found online (https://pymol.org/dokuwiki/doku.php?id=command:align). However, I didn’t found the mathematics or details for PyMOL running ‘align’ through the click-button way in GUI interface. Anyone know the mathematics or details behind it? Thanks a lot!
Yaohui
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"In short, “align” is a automated multi-step superposition algorithm based on dynamic programming and iterative refinement. “align” first performs a per-residue global dynamic-programming sequence alignment for the input atom selections using the BLOSUM62 weightings from BLAST. Then, a per-atom correspondance is established between atoms in the selections. Matching side chains atoms will be included if they were provided in the selection arguments. An initial superposition is then performed followed by up to five cycles of iterative refinement wherein atoms with per-atom deviations over two standard deviations from the mean deviation (if any) are thrown out and the fit is repeated. Finally, the number of atoms remaining at the end of this procedure is printed out along with the resulting RMS value for those atoms."
Pymol offers different alignment methods, which are optimised for different levels of sequence similarity:
Basically, "align" https://pymolwiki.org/index.php/Align does a sequence based structural alignment, first doing a sequence alignment to decide which Calpha atoms to perform a 3D alignment on, then iteratively removing very poorly 3D-fitting atoms from the alignment to reduce the influence of structurally variable loops on the alignment.
In contrast "super" https://pymolwiki.org/index.php/Super aligns two selections by a sequence-independent (unlike align) structure-based dynamic programming alignment followed by a series of refinement cycles intended to improve the fit by eliminating pairing with high relative variability (just like align).super is more robust than align for proteins with low sequence similarity.
"cealign" https://pymolwiki.org/index.php/Cealign aligns two proteins using the CE algorithm. It is very robust for proteins with little to no sequence similarity (twilight zone). For proteins with decent structural similarity, the super command is preferred and with decent sequence similarity, the align command is preferred, because these commands are much faster than cealign.
Each of the commands offers a number of parameters to tweak the method, e.g. setting limits to the maximal gap length and specifying the number of iteration cycles
You can also extend the PyMol capabilities using the "TMalign" module https://pymolwiki.org/index.php/TMalign
To do superpositions between exactly defined atom sets (e.g. in ligands), use "fit" https://pymolwiki.org/index.php/Fit or "pair_fit" https://pymolwiki.org/index.php/Pair_fit
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In my PLC 1214C ac/dc/rly having RS422/RS485. I want to interface Arduino UNO and MAX485TTLtoRS485 and S71200 via serial communication. Anyone know the answer please let me know.
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Hi Prakash, I don't really see a problem. You would use the RXD and TXD lines of Port D to connect to your MAX485TTL and your S71200 , using the built in USART. You would also need an additional output to control whether the IC is in send or receive mode.
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I am unable to measure the illuminated I-V characteristics of solar cell using kickstart2 with interfacing with Keithley. Dark characteristic is fine. But when the cell is illuminated, there is noise at low voltage region and also some points are not calculated. I am attaching the image file at one illumination level. We are using 4-wire connections. We are not getting this type of noise in dark I-V characteristics. Not able to understand why we are getting these type of characteristics in illuminated conditions. Would be really thankful for valuable guidance.
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Dr. Kumar
I am not sure about the reason for your abnormal results, but I think the following might be helpful for you to understand the results.
This presentation describes the limit of the I-V measurements very well. Unfortunately, some parts are written in Japanese, but you can understand through speculation.
In addition,
"Effects of I–V Measurement Parameters on the Hysteresis Effect and Optimization in High-Capacitance PV Module Testing IEEE J. Photovolt., 8(3), p.710-718 (2018)"
Good luck
I.S.
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The dirac delta function delta(n) is often approximated as the magnitude of the gradient of the color function "c" since it has the property of being non-zero only at a phase boundary. However, unless this magnitude is normalized, its value will always change based on grid resolution in discrete form.
Source terms used in phase change in the context of VOF are by definition only active at the interface and therefore are multiplied by the magnitude of the gradient of the color function, however in all the literature I've read so far that magnitude is never normalized which motivates my question.
How is it that one can using the dirac delta based on the VOF definition without taking into account the fact that on a discrete level the magnitude changes with grid resolution?
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You can check the following research paper to start with and see who has cited it, it is very instructive and it has 50 citations, which undoubtedly can lead to a discussion of the issue you have raised in your thread.
Lee, H.G. and Kim, J. (2012), Regularized Dirac delta functions for phase-field models. Int. J. Numer. Meth. Engng, 91: 269-288. https://doi.org/10.1002/nme.4262
Best Regards.
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Automated statistical inference in medical research meets the criterion of artificial intelligence. John McCarthy, widely recognized as the father of Artificial Intelligence, defined the term AI as “the science and engineering of making intelligent machines”. These would be computer tools, modeled on the functioning of the human mind, as well as technologies and research in the field of fuzzy logic, evolutionary computing, neural networks or artificial life, robotics.
In the field of clinical medicine the concept of AI is widely used , e.g. computer-assisted diagnosis, computer consultation systems (Stanford University, a leading center of AI in medicine), pattern recognition, machine learning, electronic health record EHR, clinical guidelines in a computerized form, diagnosis of the individual diseases and can be further listed.
We have carried out research focused on statistical elaboration of clinical data and some software solutions that automate statistical works.
In research projects defined as epidemiological and statistical, two people (or groups) are involved: an epidemiologist specifying the subject and scope of the analysis, the research plan, and statistician translating the research assumptions into the language of statistics, including the selection of statistical analyzes, finding libraries, correct execution and interpretation of the results analyzes. In the AI approach, an "intelligent computer program" works similarly to a human statistician. The epidemiologist plans the analyzes, saves the assumptions in metadata files for computer aims. Specialized computer program manages the statistical program in every step . First, it creates rational command texts based metafile , as if a programmer would do it using a screen interface and his mind (knowledge, skills, experience). Second, it "uses" a statistical package to execute prepared scripts. Third, he transforms the results of statistical program into a text for epidemiologist in plain tekst.. Statistical program is hidden from the user.
The project currently covers GLM, GLMM, one- and two-level linear and logistic regression models, Cox regression , KM, as well as preliminary data analysis.
Part of the code
code.clear();
code.addRCode("setwd(\"" + dataDir + "\")");
code.addRCode("BaseFrame=read.csv(\"" + dataFile + "\")");
code.addRCode("library(\"MASS\")");
code.addRCode("library(\"dplyr\")");
code.addRCode("library(\"ggplot2\")");
code.addRCode("library(\"survminer\")");
code.addRCode("require(\"survival\")");
code.addRCode("setwd(\"" + dataDir + "\")");
code.addRCode("DataFrame=read.csv(\"" + dataFile + "\")");
code.addRCode("surv_object <- Surv(time = DataFrame$" + time
+ "," + " event = DataFrame$" + status + ")");
code.addRCode("surv_object");
code.addRCode("res.cox=coxph(surv_object~ " + bety+",data=DataFrame)");
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You are most welcome dear Hanna Mielniczuk . Wish you the best always.
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Vissim Presentation Video is not getting recorded when running the simulation through COM interface. While simulation is running through COM interface I can see the storyboard "RecVide" is enabled.
Any idea what could be the issue? Please advise
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Found the root cause, vissim's presentation property setup is not carried over by default when running the simulation through COM interface. So after specifically enabling Presentation's attribute "RecordAVIs", it works.
Thanks All
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As per datasheet of AD4111 I cannot make the interface mapping for AD4111 to FPGA If any helps come it will be good for my recent project.
Register mapping will be more helpful.
#embedded_systems #VHDL #electronics #fpga #adc #spi
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Caprio Mistry The SPI bus is a full-duplex synchronous serial interface data bus with minimal signal lines, a simple protocol, and a rapid transmission speed. Parallel high-speed computing using FPGA is utilized to satisfy device growth and experiment in high-rate settings based on these properties.
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Please could anyone tell me how to calculate such parameters as diffusion coefficient, mobility, number density and capacitance formed at electrode/electrolyte interface.
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We're using Arduino Nano with MPU-6050 interfaced with HC-05. We've extracted data and model trained it and now we want a vibrating actuator to interface with it so we can add if else statements and it vibrates accordingly so which actuator should we go for?
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Hi Maheen, you can buy the mobile phone type vibrator devices very cheaply from china - ebay, aliexpress etc. but they need more current to run than can be output from the Arduino directly. I would recommend using something like an N-Mosfet to drive the vibrator, with the gate connected to your Arduino output.
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Do you know dependence of friction angle between roughness of material interface and a size of soil particles?
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But the literature is quite vast, so it's necessary to sift through the search results.
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Hello,
Au does not form a good metal-oxide interface, we obviously need to insert an adhesion metal layer (Cr, Ti, etc) to make a good bonding with the substrate. I was wondering if there is any way to improve the adhesion between gold and a transition metal oxide film (SrTiO3 thin film) without an extra adhesion layer. Would thermal annealing be helpful? Or plasma cleaning of SrTiO3 surface right before Au deposition? I use electron beam evaporator for Au deposition (~30nm).
I would greatly appreciate any suggestion!
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due to noble nature of gold, it does not make bonds with the material, and some time material is also passive due to upper surface bond formation with oxide and other atoms, not pinning of gold atom is difficult...pretreatment will help but best way too bond it properly is by putting Cr in-between.
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Hi. I have molded the carbon fiber reinforced polypropylene (CFPP) composites with injection molding technology. I used two different kind of CFs with diffewrent surface roughness. All other parameters such as fiber length, orientation, Vf etc. were kept constant in both specimens except the fiber type. The two kinds of specimens were named as Sized CFPP and De-sized CFPP.
The DMA results conduccted between -50 to +50 degree celcius showed the following;
None of the results showed any distinct peak, rather they showed smooth curves with some decline as the temperature passed glassy region (beyond 10 degree celcius)
Storage Modulus = De-sized CFPP > Sized CFPP
Loss Modulus = Sized CFPP > De-sized CFPP
tan delta = Did not show any peak, but the tan delta curve values remained higher for De-sized CFPP composites as compared to the sized CFPP composites.
How may I evaluate from Tan delta that which type had stronger interface? and why? In addition, how we may know which type have better damping propeties?
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The situation depends on the type of sizing used, but if a polymer is a main component, the surface roughness of the fibers will be reduced upon sizing. This will reduce the mechanical interlocking, reflected in the lower G' and higher G" (interfacial slippage for the sized). This situation will be different if the matrix material is either thermoplastic or thermoset. If the matrix is thermoplastic, the sizing material will have minimal interaction and the above statement likely apply. However, if the matrix is thermoset, then the matrix and sizing material, depending on the combination of those two materials, can potentially form a interpenetrating or quasi-interpenetrating networks. If this happens, the interphase property modification can happen and reinforcement can potentially happen, too. Thus, your question was simple but the answer can be very complex.
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Stiffness is associated with a small change in the input producing a large change in the output. The phase-field equations such as the non-conserving Allen Cahn and the mass conserving Cahn-Hilliard are stiff differential equations. The solution of these equations represents the dynamic of the interface between two phases. The Allen-Cahn equation is second-order while the Cahn-Hilliard equation is fourth-order nonlinear PDEs whose mathematical form is given in the picture included below with appropriate initial and boundary conditions. The parameter epsilon in the equations represents the thickness of the interface.
Thanks in advance for all of your consideration.
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Thank you so much to all of you for your detailed explanation and interest.
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By referring DiGSILENT manual I am doing the interface. The interface is happening but showing the error that is Simulation interrupted. So how to solve the issue?
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Hi everyone, I am currently working on developing a catalytic surface, which is hypothesized to generate hydroxyl radicals upon UV irradiation. I have read that these radicals may diffuse from the solid surface to the air. Can someone suggest a method to detect these hydroxyl radicals, without incorporating any liquid phase in contact? I need some proof to show the formation of hydroxyl radicals on my catalytic surface (a thin film) and their diffusion to the air.
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I would agree with Dirk that high-resolution peak fitting measured using XPS would work ( ), but this is rather tricky to do, as in some way, OH radicals are not as specific in many cases.
I would recommend also MALDI MS (or LDI MS -> ) - typically the OH-containing ions could be expected.
Another method could be ATR FTIR - it is not commonly used for this purpose, but if properly set up, some information can be retrieved also (). But for FTIR you need to make sure that your control sample have no (or close to zero) OH groups.
In any case, it is better to have a set of samples with incresing number of OH radicals - so you shall have additional proof of the chosen method/fitting is working.
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Anyone please tell me how to interface L298N stepper motor module to PLC S7-1200.
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First of all, I do not know why you are using PLC S7-1200 for controlling the stepper motor via the L298N module. Generally, one can use a micro-controller for that purpose. However, you can use PLC to realize your system by using a signal conditioning module to convert signals from PLC to a suitable form that can be used to control the L298N module.
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Hello,
I have several sensors which are interfaced with the help of ROS and are synchronized with the ROS time(ROS1). The sensors and their nodes are fully functional. Each sensor does some processing ,after it senses a detection in it's environment, before eventually timestamping this data in ROS. Since the sensors are of different kinds, and have their own processing before eventually timestamping it's data in ROS, there is an expected delay between the detection and the timestamping and also a delay is expected between the different sensors.
I am interested in the delay that takes place between the sensor detecting an event and eventually timestamping this data in ROS. The image shows the different processing for each sensor that takes place before timestamping.
When searching for this specific problem not much could be found, so any advice would be appreciated.
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Recently I've been trying to simulate a two-phase flow in Comsol. Comsol provides three methods for solving multi-phase flows.
1)two-phase (level-set)
2)two-phase (phase field)
3)two-phase moving mesh.
I need to include a viscoelastic fluid in this two-phase flow. But comsol only provide a viscoelastic flow option with single phase . So technically, level set and phase field methods aren't possible for me to use. I used viscoelastic module and then defined two deforming domains separately for viscoelastic fluid and the other Newtonian fluid. Now under viscoelastic module, i defined two fluid properties separately for two fluids and also a fluid-fluid interface. Along with all these, I also have to include electrostatics in to the system.
First of all, I would like to know whether my set-up is right or wrong. Some pictures related to my domain and set-up is attached below. While running, my interface is moving, but I'm getting inverted mesh after a while.
If someone could help me kindly reply.
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Hello Dear
send me the comsol file, i ll work on it
regards
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Hello everyone.
It's about the level set method. So, I have defined the value of phils as 0 and 1 as shown in the attached figure. The interface is at phils =0.5 (automatically).
I want to define the Heaviside function(Smooth function) in terms of interface thickness. My interface thickness is 0.013mm.
Values of phils (0 or 1) are domain-driven but 0.5 is at the interface. When phils is 0.5, it means its acted on the interface.
How can I define this Heaviside function using piecewise function or if there is any other way?
Probelm: Suppose if I use a piecewise function, what would be my "start" and "end" point. Please see the attached figure. Bec at phils= 0.5, its the whole domain, how can I define start and end point on this.
Looking forward to your replies.
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It's already there. You just put the values.
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Hi,
I hope someone will help me with my question.
I am working on the oscillating pendant drop method. I would like to know if the dilational elastic modulus E' and the loss modulus E" can be assimilated to the storage modulus G' and the shear loss modulus G"?
If yes, how is the conversion from mN/m to pascal made? Should I divide E' by the radius of the drop to assimilate as G' ? Are there any other size characteristics that can be used?
Are there any publications where I can find useful information on this topic?
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Thanks a lot!
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In solar cell simulation software i.e. SCAPS, how to select the IDL(Interface Defect Layers data) parameters, is they are experimentally derived or they are theory based.
In attached file, it shows that interface data follows the TiO2 parameter except the Nt values?
Pls help.
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welcome!
The recombination centers and traps have electronic energy levels lying in the energy gap of the materials. These traps interact with the free electrons in the conduction band and the holes in the valence band.
They are characterized by a density Nt either per cm^3 if they are in the volume of the material or Nts per cm^2 if they are at the surface of the materials. They also are characterized by capture cross sections for electrons sigman and for holes sigmap. The capture cross section is a measure for the effectiveness of the traps in capturing process. The traps are also characterized by a trap energy level Et.
Traps lying near the the middle of the bandgap are effective recombination centers.
The recombination centers affect specific recombination rate determined by the recombination theory of the Shockley Read Hall.
The physical origin of the traps are crystallographic defects and deep lying impurity atoms. The interruption of the periodicity at the surface of the materials cause many crystallographic defects.
The type and density of such defects and impurity atoms are varying in a wide range and depends on the material preparation and their thermal treatment.
Also they depend on the contamination of the material with metallic impurities.
There are methods to characterize the traps such as deep level transient spectroscopy. A global indicator of the effectiveness of the recombination centers is to measure the minority carrier lifetime in the material.
I would like that you follow the book:
It contains a section on the recombination mechanisms
They are also treated in the chapter:
Best wishes
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I am trying to simulate traps in TFET interfaces between oxide and silicon using sentaurus Sdevice. I included the traps in command file as follow:
Physics (MaterialInterface = "Silicon/HfO2") {
Traps( hNeutral Uniform EnergyMid = 0.22 EnergySig=0.02 Conc = 1e13 eJfactor = 0 eJfactor = 0 TrapVolume = 1e-11 HuangRhys = 3 PhononEnergy = 0.06 )
}
and include the parameter as follow:
MaterialInterface = "Silicon/HfO2" {
Traps{
Vth = 7.57e7 , 7.57e7
Xsec = 1e-15 , 1e-15
}
}
But the following error appear :
Unable to save dataset 'TrapOccupation_0(hN,Un)':
interface 'gateoxide2/channelregion' not found in grid file sdemodel_msh.tdr !
How could I fix this problem???
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After the process simulation, and for the final re-mesh for device simulation, include these lines:
############################
line clear
refinebox clear
refinebox clear.interface.mats
refinebox !keep.lines
refinebox interface.materials= "Silicon" # or any other material, you can add
# multiple lines like this one
# ###
# refineboxes here
####
pdbSetBoolean Grid No2DMerge 1
grid remesh info= 2
struct tdr= n@node@ # save this way to keep the interface
exit 0
############################
To check, when you load the structure, you will see a material called interface as in the attached image
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I want to use q-methodology and need a program with a friendlier interface to conduct interviews and allow interviewees to sort a q-set of statements on marine protection.
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Goodday,
I also want to use q-methodology and need a program with a friendly interface to conduct interviews and allow interviewees to sort a q-set of statements on innovation readiness of healthcare organizations. The software of qmethodsoftware.com looks user-friendly and combines the Q-sorting and the analyses. I am looking for some experiences I can learn from. Regards, Monique
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Hello all,
I really appreciate it if you guys can help me with my model.
my Model has three parts, Ice, Aluminum, and Interface (The cohesive zone model). I am using the dynamic explicit in Abaqus. Because my model is symmetry I just consider a quarter of that for modeling. I put the figure of my model to help you understand it better. There is an aluminum surface and Ice was considered at the top of that (at the center of the Aluminum surface). Also, there is a very thin interface between them. there are two questions that I have. First of all, what are the best types of boundary conditions that I can consider in order to consider symmetry boundary conditions on both sides? (Since I consider just a quarter of the model I definitely need to define symmetry condition in two sides) Also, in the steps section, is there anything that I should check or just default setting work? Actually, I ran my model but unfortunately, I could not get any result. No deformation or ice detachment or anything else. I ran my model but after two hours it didn't finish and did not give me any result. I checked the result many times during the simulation but nothing happened. Any suggestion will be appreciated.
Thanks
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Hi Mohammadreza Moeini
Thank you very much for your comments.
Based on your comments I checked the symmetrical boundary conditions. in YZ Plane I considered Ux = URy = URz = 0
Also, in YX plane I considered Uz = URx = URy = 0
unfortunately, I did not understand the following sentence that you mentioned:
(Pay attention that you should also fix all translations of one point (which might be the corner) to avoid rigid body motions).
Do you mean that I should fix one point (In one corner) of my geometry?
Second, I put the screenshot of the warning. There is not any error.
Also, In the status file, I got many warnings about the distortion of some elements. I think this is important but I am not sure about it.
Based on some papers I found that the failure stress for Ice is between 0.7 to 3 MPa. Also, it seems that the average value that is mostly used is around 1.4 MPa. As a result, I put this value.
Finally, as you suggest using the shell for aluminum instead of solid, I changed the aluminum to shell. unfortunately, still I cannot get any result.
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A heterostructure is composed by two different materials like pn junction. The work function refers to the potential difference between the interface of a heterostructure.
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LVHAR = .TRUE. is also fine
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Hello,
is there any way to insert LaTeX into Python Tkinter interface ?
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How to allocate address for another ADS1115 which is an ADC in Raspberry Pi in I2C interface? The first ADC will be allocated an address of 60. But how to manually allocate the address for second ADS1115 in the Raspberry Pi?
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Debjyoti Bhakta By adding a simple analog to digital converter (ADC) chip to the Pi, you may give your Raspberry Pi programs access to the world of analog signals!
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i am having kithley 195 A digital multimeter , kithley 6221 dac and ac source , kithley 6220 , and agilant (keysight )2900 ? what measuremnet system can i make from these ,
requirements
To make some measurement system
to interface in pc
( GPIB CABLE IS AVAIALABLE )
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The most important thing in measuring the I-V curve of resistive switching devices is to know that these devices have an S curve I-V characteristics. So, to measure an S-curve you have to have a controlled current source, the device under test and a current sensing resistance where these elements are all connected in series. Then one can use an ammeter to measure the current and a voltmeters to measure the voltage across the device. Both the reading of the voltmeter and the ammeter can be conveyed to the computer through the A/D coverers where the both I and V can be acquired. To get one complete I-V curve one has to scan the value of the current source across the required range. This can be made by controlling the current source by the computer.
Best wishes
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I have a 2D simulation of the capillary rise between two identical parallel plates. I am using the Phase Field method and the software COMSOL Multiphysics. For validation I am using this paper: https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceat.201500089
My problems are:
1) I don't get the capillary height from the paper
2) The water/air interface won't settle down to an equilibrium. Even after 15 seconds it still moves
Did anyone ever had the same problem and knows how to fix it?
Thanks a lot.
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Aynur Atalay Try setting chi higher, e.g. more than 10.
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How FF respond on increasing density of interface defect?
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Santos, J. D., et al. "Cause of the fill factor loss of a-Si: H p–i–n devices with ZnO: Al front electrode: Blocking contact vs. defect density." Thin solid films 548 (2013): 617-622.
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·
In Extrusion process, it is evident that the extruded section was bent due to the material micro-structural and forming interface condition related factors. From application point of view, how such a problem could be properly addressed
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yess
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I wanted to make a symmetrical capacitor consisting of 2 Carbon/PPy films by mixing PVA and H2SO as a separator. However, I was unable to turn on the lamp. I took the attached work as an example. Where do you think I went wrong?
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Nitish Kumar thank you for all
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Hi all,
The case I want to simulate includes a porous media baffle, with water on the left side and no water on the right. I want to simulate the process that water on the left flows into the porous media and then flows into the right side.
In my simulatioin, the seepage velocity (from the soil to the fluid domain) at the interface is calculated by solid part. Then, there should be more water at the interface in fluid domain. I’ve managed to couple the seepage velocity at the interface in OF, but how could I add the water due to the seepage according to the velocity at the interface? Could anyone please give me any hints?
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I refer you to two discussions which bear on the two problems of Eulerian two-fluid models closures: Turbulence and momentum interfacial transfer:
(6) Turbulence Closure for Two-Fluid RANS Modeling (researchgate.net)
(6) Interfacial Transfer Closure for Two-Fluid RANS Modeling (researchgate.net)
Look forward to exchanges on these topics
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In perovskite solar cells, we know that the interface between the Carrier Transport Layer and the Perovskite absorber layer has a great impact on the cell performance. But I found that the capture cross-section area of electrons has no significant effect on the interface between the electron transport layer (ETL) and perovskite (PSK) layer.
What is the physical reasoning behind this issue?
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Mohammad Ismail Hossain introduce good discussion
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I am working on a heat pipe, where there is a wick structure adjacent to a hollow space. The wick structure is filled with liquid water. And the hollow space is for vapor to flow in the heat pipe.
I want to model an interface at saturation temperature exactly at the boundary of the wick structure.
In the Evaporator section of the heat pipe, the liquid in the wick structure is evaporating at the interface. And in the condensation section of the heat pipe, the vapor is condensating at the interface.
In both cases, there is heat and mass transfer across the interface.
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Sir,
Did you use the UDF to model the mass transfer across the interface?
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I fabricate perovskite thin film solar cell and trying to passivate interfaces of absorbing layer with inorganic layer. I have already done TRPL measurements on the interfaces. It gave pretty good results. Now, I want to get more information about defect passivation at the interfaces. I tried DLTS, but didn't work. I am looking for other measurements so that the defect passivation argument can get stronger evidence.
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Hello Tamanna, many thanks for sharing this very interesting technical question with other RG members. Unfortunately I'm not really an expert in this field of materials science although we are inorganic chemists. Thus all I can do for you today is suggest to you a few potentially useful literature references. Please have a look e.g. at the following articles.
Recent progress on defect passivation in perovskites for solar cell application
This article is not yet available as public full text on RG. However, four of the authors have RG profiles. Thus you can easily contact one of them directly via RG and request the full text.
I also came across an entire PhD thesis devoted to this topic:
Defect Passivation and Surface Modification for Efficient and Stable Organic-Inorganic Hybrid Perovskite Solar Cells and Light-Emitting Diodes
(see attached pdf file)
Good luck with your work and please stay safe and healthy!
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I have manual but unable to get answer of some Childish Question
like how to extract signal from GTAO
How to connect various component.
Interfacing of RTDS to Relay
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التكرار والتصحيح والاعادة هي الطريق الاسلم والافضل للتعلم
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Antimalware Scan Interface (AMSI) is very popular to detect malicious scripts. Here is my NEW fully undetectable AMSI bypass script based on Matt Graeber 'amsiInitFailed' script. With a little math 0/57 AV detects as malicious in 2021.
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I want to understand carrier dynamics of different two dimensional materials.
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Mohamed-Mourad Lafifi , Thank you very much. Those links helped me a lot.
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For my current research, I am sprinkling glass beads (micrometric or millimetric) on a water-air interface. As I am draining water from the container, the interface contracts and so does the particles on the interface. But a lot of the particles are also getting stuck on the container wall, possibly with a thin water film which clings to the wall. The same thing happens when I use a teflon container. Is there any way I can reduce the sticking or rather formation of a thin film on the side walls?
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Some suggestions based on the fact that the important observation that the surfaces attract the particles and thus the zeta potential of the system is non-optimum:
  • Alter the pH
  • Use small quantity (say 200 - 2000 ppm) of a surfactant
  • Change the liquid or add ethanol to the system
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Help I'm trying to get the structure of a protein with Alphafold, the online interface. When I enter my sequence, it gives me an error by giving it "Run prediction" and I can't move forward¡¡¡¡ 😦 A curious fact is that when I entered the sequence with a lower number of amino acids, it ran perfectly, although it took a long time! SOMEONE KNOWS WHAT IT'S DUE ????
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AlphaFold is a compute intensive program.
If you are running on free cloud resources - you can only make predictions for small proteins.
For larger/complex proteins - you can either install AlphaFold on your own high performance compute cluster - or pay for a virtual instance on google cloud with the appropriate amount of RAM and a GPU card.
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I am working on developing 3D cell cultures of tumor cells and I noticed that there are different methods, like liquid overlay, air interface culture, hanging drop technique, and scaffold-mediated approaches.
As for the liquid overlay approach, the general idea is to create a surface that cells cannot adhere onto. I am curious about whether I can use matrigel to replace agar/agarose or HEMA for the development of 3D cell culture?
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Hi Weizhong,
One alternative is plant nanocellulose hydrogels (GrowDex) which are well-defined and animal-free matrices for 3D cell culture. Cells can grow in all three dimensions in the hydrogel where the cellulose nanofibers form the network and provide physical support for the cells. This is one step closer to in vivo situation, compared to suspension cultures on ultra low attachment wells where is no fiber network. Please check a couple of publications with cancer cell data:
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Hi all,
Does anyone have idea what is meant by interface boundary condition when we assign a boundary as interface in Ansys Fluent? How does the fluent solver calculates the temperature at this interface by default when interface has been assigned coupled boundary condition?
Thanks in advance.
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In ANSYS Fluent, till the interface boundary you can calculate your field variables using FVM approach. at the interface where difference zones are mating, the values from one zone must be transferred to the other zone. The field variables are assigned in positive/negative sign at this interfacing zones.
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I am doing the TCAD simulation of MOSFET devices. In such devices, an electrical dipole layer exists at the oxide/silicon interface. I was wondering if anyone would tell me how to set this dipole layer and tune its strength in TACD.
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Thank you very much for your kind support! I get what I want now.
Best regards,
Qitao
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Dear all,
I am trying to use ACADO for the MPC on my thesis.
My system has a control input (solenoid valve) which can be on or off (0 or 1) for a period of time like PWM with the frequency of 1 Hz as shown in picture. The control input can be on between 100 to 500 ms.
Can anyone help me to set the control variable like that, please?
PS. I am using the ACADO code generator with MATLAB interface.
Best Regards
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how to create the coordinate and topology file for cyclohexane? And will all atomic simulation be possible?
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Dear Swetha Cm ,
I suggest you manually do the topology of cyclohexane or other small molecule, like ethane, for you to understand all the files, it is important for your training. However, there are websites that provide the parameters of molecules, but you need to check if they are reliable. See if the site below helps you.
Best,
Marcello
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Actually I am doing project on SBHS board with SI lab . But I also want to try it with labview.
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Apparently yes, you need a required manual for this.
Kind Regards
Qamar Ul Islam
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Having a background in health science I am aware that the term "interphase" is a biological one which describes a stage of cell division. Specifically it is defined as the resting phase between successive mitotic divisions of a cell, or between the first and second divisions of meiosis.
This may be compared to a materials science definition for "interface" as the region formed when two phases (systems) are in contact through which the intensive properties of one phase transfer to the other.
When I would read "SEI" defined as solid electrolyte interphase in papers within my current field, I would always have a quiet giggle to myself and wonder how it gets past the editors, even in high impact publications. But I recently found myself forced to reassess my position, after digging around in foundational work on the SEI thing by Peled et al (1979). This paper has "interphase" in its title, and I believe there are peers who consider this to be the original work defining SEI. An excerpt from the paper:
It acts as an interphase between the metal and the solution and has the properties of solid electrolyte, through which electrons are not allowed to pass. Therefore, it is called "Solid Electrolyte Interphase (SEI)."
So the discussion is this, if these authors coined the term SEI, shouldn't it be acceptable for us as materials scientists to misappropriate "interphase" for our own purposes, and to hold our ground on it? On the other hand, what is science without clarity in our terminology? And how is "interphase" in a materials context saying anything more or less than the previously defined term "interface"?
The one thing I feel confident about is that we shouldn't be reading interchangeable definitions for the same thing, just depending on the source. Let alone seeing it arbitrarily interchanged within a single source - yes I have read individual papers where SEI is both "interphase" and "interface"...
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