This directory contains input scripts for performing simulations with these models:

eDPD - energy-conserving dissipative particle dynamics mDPD - many-body dissipative particle dynamics tDPD - transport dissipative particle dynamics

1. eDPD: The input script in.mdpd is an example simulation of

measuring the thermal conductivity by heat conduction analog of periodic Poiseuille flow. The initial eDPD system is randomly filled by many eDPD particles, and a set command "edpd/temp" gives the initial temperature and a set command "edpd/cv" gives the heat capacity of eDPD particles. A non-contact heat source/sink term is applied by a fix command "edpd/source". A compute command "edpd/temp/atom" obtain the temperature on each eDPD particle. The simulation will generate a file named "temp.profile" showing the temperature profile. For details please see online LAMMPS documentation and Fig.12 in the paper Z. Li, et al. J Comput Phys, 2014, 265: 113-127. DOI: 10.1016/j.jcp.2014.02.003

2. mDPD: The input script "in.mdpd" is an example simulation of

oscillations of a free liquid droplet. The initial configuration is a liquid film whose particles are in a fcc lattice created by the command "create atoms". Then the liquid film has a tendency to form a spherical droplet under the effect of surface tension. For details please see online LAMMPS documentation and the paper Z. Li, et al. Phys Fluids, 2013, 25: 072103. DOI: 10.1063/1.4812366

3. tDPD: The input script in.tdpd is an example simulation of

computing the effective diffusion coefficient of a tDPD system using a method analogous to the periodic Poiseuille flow. Command "atom_style tdpd 2" specifies the tDPD system with two chemical species. The initial tDPD system is randomly filled by many tDPD particles, and a set "cc" command gives initial concentration for each chemical species. Fix commands "tdpd/source" add source terms and compute commands "tdpd/cc/atom" obtain the chemical concentration on each tDPD particle. The simulation will generate a file named "cc.profile" showing the concentration profiles of the two chemical species. For details please see online LAMMPS documentation and Fig.1 in the paper Z. Li, et al. J Chem Phys, 2015, 143: 014101. DOI: 10.1063/1.4923254