APDL script for STL derivation?

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How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

How to formulate Energy minimization in Molecular dynamics simulation for alloys using meam potential?

during MD simulation, the atoms are not moving as per required. The problem (as per my observation) lies in energy minimization technique. upon application of tensile strain in x or y direction,...

22 February 2021 380 5 View

How to generate AA6061 alloy or any aluminium alloy crystal in material studio?

I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.

22 February 2021 1,410 1 View

How to incorporate Monte Carlo simulation in for a real trading data?

Hello, My area of research is to valuate Exchange option (Margrabe option). I am looking for Monte Carlo simulation technique that can be applied to some real trading data. I have evaluated them...

05 February 2021 1,605 4 View

How do I analyse a Photoluminescence Spectrum ?

I have a few questions related to PL (images attached for same material by 2 methods), It would be great to get some help. 1. What is the physical meaning of highly intense PL? Does this mean...

02 February 2021 1,791 3 View

How to choose the electrolyte for (electrochemical impedance spectroscopy) EIS ?

Hi, I am working on a multi cationic material that has Li in it. I wish to measure the conductivity of my sample. We have a 3 electrode system with Ag/AgCl as a ref, platinum, and glassy carbon...

29 January 2021 405 2 View

Why this SSR primer show band like that ?

Each time this SSR primer show band like that other show one or two band . Is it polymorphic ?

11 January 2021 2,221 5 View

How can we maintain the two different DC high voltages of same polarity between parallel electrodes inside the vacuum separated by few millimeter?

I am trying to maintain two different high DC voltages of same polarity (either positive or negative) between two parallel electrodes separated by 500 um inside the vacuum. However, what I found...

21 December 2020 1,735 3 View

Quantum information & Black Hole information Paradox?

If quantum information is stored on the Event horizon of the black hole (according to the Holographic principle), What happens to information when black holes evaporate or merge?

02 December 2020 10,029 5 View

Why pcr product show band below 50 bp ladder ? Or is this amplified or not ?

I am using ssr primer .anneling tem below 5degree of Mt .

16 November 2020 2,314 6 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

How to modify Johnson cook equation in ABAQUS?

I wanted to add an extra parameter to the existing Johnson cook equation in the ABAQUS simulation. How to add those extra parameters. Ref: A modified Johnson-Cook material model with strain...

28 February 2021 4,841 3 View

Bayesian decision trees and bayesian regression trees in Python and/or R?

I am looking for implementation of bayesian decision trees and bayesian regression trees in Python and/or R.. Do you know if the existing libraries support this

23 February 2021 6,689 3 View

How can we estimate sample size for a moderated mediation analysis with more than two mediators?

How can we estimate sample size for a moderated mediation analysis with more than two mediators? I am looking for scripts, macros, syntaxes, that allow us to estimate sample sizes for research...

15 February 2021 6,813 3 View

In Abaqus, is it possible to remove elements which are too complex for meshing from a sequence obtained by getByBoundingBox() ?

Hello everyone, I'm trying to mesh a structure with complex partitions using mesh controls. When doing it on the user interface I'm first selecting all cells. In the following, I have to accept...

03 February 2021 8,198 1 View

How to calculate j-integral for 5 contours by abaqus script and retrieve the values ?

I mean I am looking for a code to retrieve the values of each contours and I have written the code below but It doesn't work... Jint= odb.steps['Step-1'].historyRegions['Assembly...

21 January 2021 277 3 View

How to add a single parameter in Ansys Additive Manufacturing Workbench parameter setting dialogue box?

Ansys 19.2 R2 and 2020 R1 versions of Additive Manufacturing Workbench is convenient for powder-based Additive Manufacturing processing. However, in this workbench, there is a machine parameter...

19 January 2021 3,017 2 View

How to script VMD tcl within bash script?

Greetings, I want to run a vmd script within my bash script. I am using the text only version of VMD for linux for my windows terminal ubuntu subsystem and I would like to generate code within my...

16 January 2021 192 5 View

Can anyone helps me with Autodock 4.2 scripts error ?

After opening the file, I operate command "Script" --> "Ligand Interactions" --> "Show Ligand Binding Site Atoms" and the warning appears as "This script displays ligands and surrounding...

15 January 2021 5,360 1 View

No title

Hi there! I'm very new to r and trying to run a multi-level meta analysis using pre-calculated effect sizes. I've attached the datafile below. The script I used as a first step to fit the model...

12 January 2021 8,214 2 View