Dear Lammps users
Hi
In lammps user guide has been written that for fix append/atoms the keyword random gives the atoms random displacement to simulate some initial temperature. What’s the value of this initial temperature? Is this the temperature specified in the keyword temp or it haphazard values?
Sincerely you
Richard J Ford
Dear Lammps users
Hi
In lammps user guide has been written that for fix append/atoms the keyword
random gives the atoms random displacement to simulate some initial
temperature. What’s the value of this initial temperature? Is this the
temperature specified in the keyword temp or it haphazard values?
neither.
is is not really a temperature that is imposed, but a random
displacement from the ideal lattice positions that would be the
consequence of a thermalization. this is not easy to quantify, since
it depends on both, the shape of the potential around the lattice
positions and the mass of the particles. the thermostat activated
through the temp keyword goes on top of that.
please note that fix append/atoms is intended for a quite specific
purpose (study of shock waves) and that thus its features are somewhat
tuned toward that purpose.
axel.