41 lines
2.2 KiB
Plaintext
41 lines
2.2 KiB
Plaintext
This directory contains input scripts for performing
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simulations with these models:
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eDPD - energy-conserving dissipative particle dynamics
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mDPD - many-body dissipative particle dynamics
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tDPD - transport dissipative particle dynamics
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1) eDPD: The input script in.mdpd is an example simulation of
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measuring the thermal conductivity by heat conduction analog of
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periodic Poiseuille flow. The initial eDPD system is randomly filled
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by many eDPD particles, and a set command "edpd/temp" gives the
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initial temperature and a set command "edpd/cv" gives the heat
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capacity of eDPD particles. A non-contact heat source/sink term is
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applied by a fix command "edpd/source". A compute command
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"edpd/temp/atom" obtain the temperature on each eDPD particle. The
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simulation will generate a file named "temp.profile" showing the
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temperature profile. For details please see online LAMMPS
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documentation and Fig.12 in the paper Z. Li, et al. J Comput Phys,
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2014, 265: 113-127. DOI: 10.1016/j.jcp.2014.02.003
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2) mDPD: The input script "in.mdpd" is an example simulation of
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oscillations of a free liquid droplet. The initial configuration is a
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liquid film whose particles are in a fcc lattice created by the
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command "create atoms". Then the liquid film has a tendency to form a
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spherical droplet under the effect of surface tension. For details
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please see online LAMMPS documentation and the paper Z. Li, et
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al. Phys Fluids, 2013, 25: 072103. DOI: 10.1063/1.4812366
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3) tDPD: The input script in.tdpd is an example simulation of
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computing the effective diffusion coefficient of a tDPD system using a
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method analogous to the periodic Poiseuille flow. Command "atom_style
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tdpd 2" specifies the tDPD system with two chemical species. The
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initial tDPD system is randomly filled by many tDPD particles, and a
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set "cc" command gives initial concentration for each chemical
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species. Fix commands "tdpd/source" add source terms and compute
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commands "tdpd/cc/atom" obtain the chemical concentration on each tDPD
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particle. The simulation will generate a file named "cc.profile"
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showing the concentration profiles of the two chemical species. For
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details please see online LAMMPS documentation and Fig.1 in the paper
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Z. Li, et al. J Chem Phys, 2015, 143: 014101. DOI: 10.1063/1.4923254
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