Subham Prasad

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Questions related from Subham Prasad

What are the different ways to apply the boundary conditions for a compact tension (CT) specimen in FEM modelling.?

Can we restrict the vertical and horizontal displacement in two directions for the lower semicircular in bottom hole of CT specimen and apply incremental displacement in the upper semicircular in...

10 May 2024 4,988 4 View

What are the continuum or macroscale parameters that can be calculated using LAMMPS/ molecular dynamics simulation?

As the output from LAMMPS are generally based Total free energies, free stresses of atoms, stresses in certain directions. How can we use these data to calculate parameters like elastic modulus or...

22 March 2021 6,953 2 View

What does a negative potential energy (total energy) depict in a molecular dynamics simulation?

In any MD simulation done using LAMMPS, what does negative total energy at every step mean? Further, what does 0 E_mol and negative E_pair depict? Can you please suggest a text or brief...

16 March 2021 463 6 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,...

23 February 2021 679 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.

23 February 2021 1,671 1 View