Maryam Darvishzadeh

7 Questions 10 Answers 0 Followers

Questions related from Maryam Darvishzadeh

How could I use two eam.alloy potential as a hybrid pair style in lammps?

Hello everyone I want to use potential A for interaction W-W and, potential B for interaction W-Cu and Cu-Cu. Both of them are eam.alloy potentials. How could I make pair_style and pair_coeff for...

27 October 2021 8,933 5 View

I want to run a lammps input file in multi-partition mode. but I don't know how should I use the "-partition" command-line switch?

please guide me. Thanks. the executable bash file is below: # script for paralle execution #!/bin/bash #PBS -S /bin/bash #PBS -N LAMMPS #PBS -l nodes=1:ppn=10 #PBS -q batch #PBS -o...

12 September 2021 7,157 3 View

Hi. Could I add ZBL to the main potential using hybrid/overlay command for short-range distances? (instead of doing spline)?

I want to simulate radiation damage in lammps but my potential doesn't support short-range distances.

06 September 2021 3,951 4 View

How do I simulate a fcc-bcc multilayer system within Lammps?

I want to simulate a fcc-bcc multilayer system within Lammps. I have written an input file for FeNi, but when I carry out the energy minimization, the atoms for both Fe and Ni are compressed very...

22 May 2019 4,209 1 View

For modifying the interatomic potentials in short range (spline with ZBL), how should we determine the cut-off distances for intermediate range?

For molecular dynamics (MD) simulations

15 May 2019 6,354 1 View

How can we find out if an activator is suitable for a host crystalline lattice or not?

Especially for activators used in scintillation materials.

20 November 2014 9,613 3 View

What is the difference between PLE and electronic absorption spectrum?

PLE is photoluminescence excitation spectrum.

31 October 2014 7,945 6 View