I am new to LAMMPS and I am performing nanoindentation simulation on silicon substrate. I wanted to know how to hold atoms together after applying a temperature of 273 and fix nve. The atoms in the Newtonian zone of my substrate tends to move randomly and in the direction of the diamond indenter once I apply the fix nve. The only time the atoms were held in place was when I applied an initial temperature of 0 to the Newtonian zone, but I think this is bad dynamics and very much unphysical. Even at this, once the indenter comes in contact with the substrate the same random movement starts. Thus I am unable to observe the depth of indentation, and groove formed during the scratch. Someone suggested I increase the size of my substrate thereby increasing the number of atoms.
Any suggestion will be appreciated. Thanks
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