Hi, I am trying to simulate thermalization of Nylon 6 polymer in LAMMPS thermalisation module , I have connected this module to already created structure module. On clicking "Optimisation for a lot o...
I see an example about calculating the dielectric constants of Nylon 6(n=20) in the Blog(https://www.materialssquare.com/blog/matsq-tip-lammps-polymer-md-dielectric-const-en). The dielectric is so acc...
If a surface is made to have zero force (and its velocity is also zero) with the fix setforce command, do the forces between the atoms on this surface and other atoms still exist?
Dears I tried to draw structure of polydimethylsiloxane then convert it to lammps.data but I don't know why it don't contain bond, angle and dihedral information, so material squrare ...
Why lammps is enable
hi sir, i need an example input script to calculate cluster formation energy of Mo based alloy or just for Molybdnume .
I was doing a simulation of graphene sheet but I I couldn't calculate the stress per atom. How do I do that ?