[lammps-users] lattice constant for 2D LJ solids

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1

Hello,

this question may apply genrally any MD simulations.
I wonder if there is any analytical function, rule or table that gives the lattice constant for solids, modelled by Lennard-Jones 12-6 potential, at different pressures and temperatures. Every time I set up a simulation I face this problem and until now I used the not very sophisticated trail and error "method".
So, if anybody has a hint about this, it would really be appriciated.

Thanks,
Marco

2

It looks like you’re asking for the phase diagram of LJ solids
with various thermodynamic properties - like thermal expansion
coefficients. You might try searching Google for a few
keywords like that …

Steve