Sandeep Kumar Singh

5 Questions 14 Answers 0 Followers

Questions related from Sandeep Kumar Singh

How to generate average-atom inter atomic potential for a multi-element random alloy?

Hello Everyone, I am trying to make an average-atom interatomic potential for a high entropy alloy. In research papers, many analytical equations are given, but they never mentioned how to solve...

07 February 2020 7,456 0 View

What is the reason of shape memory effect in the materials?

There are some certain kind of alloys e.g. Ni-Ti, Mg-Sc etc which have shape memory effect. I tried to find the similarity among all of them, why only those set of alloys have shape memory effect....

10 May 2019 4,351 3 View

How to calculate shear stress and shear strain in Lammps for any structure?

Hello everyone, I am trying to calculate shear-stress vs shear strain in Graphene. I made two group of atoms upper and lower, out of which for upper, I setforce 0, 0, 0 and for lower gave constant...

06 May 2019 7,481 7 View

How to make LAMMPS with CUDA? What is the difference between kokkos_omp and kokkos_cuda?

Hello everyone, I want to make lammps with CUDA package. But I have confusion, which is the best speed booster package in lammps whether it is mpirun, kokkos_omp or kokkos_cuda. If anyone have...

19 February 2019 5,387 1 View

How can I build the structure of MoS2 in Material studio?

I want to construct the model of MoS2 for the study of mechanical properties and specific capacitance. I have lattice parameters of MoS2.

30 July 2018 5,295 2 View