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Questions related from Madhur Gupta
I am interested to calculate the peierls barrier for the movement of screw dislocation in BCC iron between two peierls vally. For this I am using nudged elastic band (NEB) method in LAMMPS. We...
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We are working on kink nucleation and migration using NEB method in LAMMPS. To provide intermediate replicas we need to make kink pairs. Can anyone suggest a method or tool that can be used to...
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I want to make a ZnO nanowire to perform MD simulation using lammps. I would like to know if there is an open source software that can build ZnO nanowire or is there other way to make such...
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