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README
README
 
 
atom_vec_edpd.cpp
atom_vec_edpd.cpp
 
 
atom_vec_edpd.h
atom_vec_edpd.h
 
 
atom_vec_mdpd.cpp
atom_vec_mdpd.cpp
 
 
atom_vec_mdpd.h
atom_vec_mdpd.h
 
 
atom_vec_tdpd.cpp
atom_vec_tdpd.cpp
 
 
atom_vec_tdpd.h
atom_vec_tdpd.h
 
 
compute_edpd_temp_atom.cpp
compute_edpd_temp_atom.cpp
 
 
compute_edpd_temp_atom.h
compute_edpd_temp_atom.h
 
 
compute_tdpd_cc_atom.cpp
compute_tdpd_cc_atom.cpp
 
 
compute_tdpd_cc_atom.h
compute_tdpd_cc_atom.h
 
 
fix_edpd_source.cpp
fix_edpd_source.cpp
 
 
fix_edpd_source.h
fix_edpd_source.h
 
 
fix_mvv_dpd.cpp
fix_mvv_dpd.cpp
 
 
fix_mvv_dpd.h
fix_mvv_dpd.h
 
 
fix_mvv_edpd.cpp
fix_mvv_edpd.cpp
 
 
fix_mvv_edpd.h
fix_mvv_edpd.h
 
 
fix_mvv_tdpd.cpp
fix_mvv_tdpd.cpp
 
 
fix_mvv_tdpd.h
fix_mvv_tdpd.h
 
 
fix_tdpd_source.cpp
fix_tdpd_source.cpp
 
 
fix_tdpd_source.h
fix_tdpd_source.h
 
 
pair_edpd.cpp
pair_edpd.cpp
 
 
pair_edpd.h
pair_edpd.h
 
 
pair_mdpd.cpp
pair_mdpd.cpp
 
 
pair_mdpd.h
pair_mdpd.h
 
 
pair_mdpd_rhosum.cpp
pair_mdpd_rhosum.cpp
 
 
pair_mdpd_rhosum.h
pair_mdpd_rhosum.h
 
 
pair_tdpd.cpp
pair_tdpd.cpp
 
 
pair_tdpd.h
pair_tdpd.h
 
 

README

This package implements three extensions of the dissipative particle
dynamics (DPD) method, i.e., energy-conserving DPD (eDPD) that can
model non-isothermal processes, many-body DPD (mDPD) for simulating
vapor-liquid coexistence, and transport DPD (tDPD) for modeling
advection-diffuion-reaction systems. The equations of motion of these
DPD extensions are integrated through the modified velocity-Verlet
(MVV) algorithm.

Currently, the package has the following features:

* Three new atom styles (eDPD, mDPD, tDPD) for tracking the particles
  with internal temperature, local mass density, and chemical
  concentration.

* Three set commands (edpd/temp, edpd/cv, cc) for setting internal
  temperature (edpd/temp) and heat capacity (edpd/cv) for eDPD
  particles and for setting chemical concentration (cc) for tDPD
  particles.

* Two compute commands (edpd/temp/atom, tdpd/cc/atom) for accessing
  the internal temperature of eDPD particles and the chemical
  concentration of tDPD particles.

* Three fix commands (mvv/dpd, mvv/edpd, mvv/tdpd) for integrating the
  shochastic ODEs using the modified velocity-Verlet (MVV) algorithm.

* Two fix commands (edpd/source, tdpd/source) for adding additional
  heat source/sink or chemical concentration source/sink to eDPD and
  tDPD particles.

* One pair style (edpd) for modeling a eDPD fluid.

* Two pair styles (mdpd/rhosum, mdpd) for modeling a mDPD fluid.

* One pair style (tdpd) for modeling a tDPD fluid.

See the doc pages for "atom style edpd", "atom style mdpd", "atom
style tdpd", "set edpd/temp", "set edpd/cv", "set tdpd/cc", "compute
edpd/temp/atom", "compute tdpd/cc/atom", "fix mvv/dpd", "fix
mvv/edpd", "fix mvv/tdpd", "fix edpd/source", "fix tdpd/source", "pair
edpd", "pair mdpd/rhosum", "pair mdpd", "pair tdpd" commands to get
started. At the bottom of the doc pages are many links to additional
documentation contained in the doc/USER/meso directory.

There are example scripts for using this package in
examples/USER/meso.

The person who created this package is Zhen Li (zhen_li at brown.edu)
at Division of Applied Mathematics, Brown University, USA. Contact him
directly if you have questions.