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Questions related from Subham Prasad
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...
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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...
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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,...
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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.
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