fix eos/cv command

Syntax

fix ID group-ID eos/cv cv
  • ID, group-ID are documented in fix command

  • eos/cv = style name of this fix command

  • cv = constant-volume heat capacity (energy/temperature units)

Examples

fix 1 all eos/cv 0.01

Description

Fix eos/cv applies a mesoparticle equation of state to relate the particle internal energy (ui) to the particle internal temperature (θi). The eos/cv mesoparticle equation of state requires the constant-volume heat capacity, and is defined as follows:

ui=uimech+uicond=CVθi

where CV is the constant-volume heat capacity, ucond is the internal conductive energy, and umech is the internal mechanical energy. Note that alternative definitions of the mesoparticle equation of state are possible.


Restrictions

This command is part of the DPD-REACT package. It is only enabled if LAMMPS was built with that package. See the Build package page for more info.

This command also requires use of the atom_style dpd command.

Default

none


(Larentzos) J.P. Larentzos, J.K. Brennan, J.D. Moore, and W.D. Mattson, “LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics (DPD-E)”, ARL-TR-6863, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD (2014).