How do I decide the work function value? For example I got fermivalue = -2.6 (from) DOSCAR) vacuum potentina = 3.0.

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Calculate the Strain at a Node in the Turbine Blade FE Model?

Hello Team, I would like to calculate the strain at a node #5 in a direction (l1,m1,n1) in the turbine blade FE model as shown. This node is connected with four elelemnts (#1,#2,#3,#4) and I have...

11 January 2021 7,702 3 View

One invention granted for the US and European patent will be counted as one patent or 2 patents for CV writing?

05 January 2021 8,135 4 View

Buckling of Smart composite plates using FEM ( MATLAB code)?

Can anyone help me with the FEM coding for Buckling of composite plates using the FSDT or HSDT - Source or the helping material (textbook, research paper etc) - Geometric stiffness matrix...

03 January 2021 3,059 3 View

How to optimize a structure for excited state when there is a bond breaking during optimization in gaussian?

In Gausssian, I have tried to reoptimize that structure by freezing the bond which is breaking in excited state during optimization. Before freezing the bond i have already tried scf = xqc and scf...

20 December 2020 8,444 3 View

How to build a polymer pdb file from a monomer pdb file, for using it is an initial configuration in Gromacs?

I am doing my Ph.D. in Materials Science and am completely new to Molecular Dynamics Simulation and Linux. I am using Manjaro Linux 20.1 and have Gromacs 2020.4, VMD 1.9.3, packmol 20.0.10,...

28 October 2020 1,051 3 View

Need help in designing a countour which create a seperation bubble on a flat plate ?

Hi This is Ravi. i am trying to create a separation bubble on a flat plate using a contoured upper wall. I want to apply same pressure distribution of a given blade on the flat plate. I have read...

21 October 2020 6,635 5 View

Can someone suggest to me Fluorescence camera for intravital microscopy of blood vessels?

Can someone suggest to me a good and not so expensive Fluorescence camera for intravital microscopy of blood vessels? or can someone advise me on choosing the right camera for intravital...

15 October 2020 4,461 1 View

Moment curvature plot in SAP2000: What should i refer to understand the background calculation which SAP2000 does to generate the M-phi ?

The moment-curvature plot in SAP2000 is based on the material stress-strain plot of caltran (along with its material FoS). I would like to understand the detailed calculation to obtain the plot...

13 August 2020 5,729 3 View

I am requesting you all to assist in the direction of epidemic diseases outbreak prediction using machine learning or deep learning approaches?

Any one who are in that track kindly give an idea of how to forward in this idea. Thanking you all

26 July 2020 2,898 3 View

How to extract electron and hole wave functions of a quantum well in Crosslight APSYS?

I am working on III Nitride multi-quantum well light-emitting diodes using Crosslight APSYS. Here I would like to extract the electron and hole wave functions, Can anyone please suggest how to...

19 June 2020 8,097 3 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

As I was tweaking step-by-step OpenCalphad6 Macros step1.ocm involving phase and thermal property calculation of a High-speed steel, I could not incorporate more than 6 elements in the steel...

01 March 2021 8,840 1 View

Is there a deep reason for using the squared modulus of the wave function as the probability density of the existence of the particle?

I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...

28 February 2021 6,282 9 View

What is the error of the Txy diagram?

Hi, I know the attached Txy diagram has an error but can't figure it out. Could you please look at the diagrams and explain it to me?

23 February 2021 4,239 1 View

How the values of errors can be calculated for thermodynamic data?

I have calculated thermodynamic parameters for surfactant solutions in aqueous and mixed alcoholic solvents. I want to calculate the value of errors in the data and represent it in the table along...

22 February 2021 239 2 View

Applications of General Multiple Sums?

Does anyone know of applications of multiple sums of a sequence? I know of the Multiple Zeta values (which is a multiple sum of 1/N^s). This has multiple applications in quantum physics, QED,...

08 February 2021 8,047 12 View

How can I select the best plasmid after sequencing?

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06 February 2021 336 3 View

Is it possible to calculate entalphy of LiBr/H2O or another solution if we know correlation of specific heat without using any software?

17 January 2021 5,522 3 View

What are some recent publications showing the predictor power of resting state brain acitivity for tasks done outside the MRI scanner?

Looking for recent articles (2018-2020) that showed resting state brain activity can predict cognitive task performance (e.g., attentional and executive functioning tasks) done in the lab AFTER...

09 January 2021 2,310 2 View

Literature Review for a dissertation- any tips?

Hello everyone I hope you are all well! I just have a quick question- I am a third year BA Social Work student in the midst of writing a literature review for my dissertation. I wanted to know if...

04 January 2021 6,869 4 View

Rinat Khisamov

In quantum theory at 0 K - work function is equal vacuum potential (level) - fermi energy (level). Ф=E0-EF. You asked about valence and conduction band. In your case is it metal or semiconductror?

Ravi kumar Mandala

semiconductor ? what ever may be Conduction and valence band present but gap is differ