Coupling molecular dynamics and direct simulation Monte Carlo using a general and high-performance code coupling library

DOI10.1016/J.COMPFLUID.2020.104726MaRDI QIDQ2245257zbMATH OpenOpenAlexFDO

Authors Yanyan Li

Publication date 15 November 2021

Published in Computers and Fluids (Search for Journal in Brave)

Copyright license Creative Commons Attribution 4.0 International

Full work available at URL https://doi.org/10.1016/j.compfluid.2020.104726

zbMATH Keywords

couplingdirect simulation Monte Carlomolecular dynamicssupercomputing

Mathematics Subject Classification ID

Fluid mechanics (76-XX)

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Cites work

• A comparison of models for the evaporation of the Lennard-Jones fluid
• A convergence proof for Bird's direct simulation Monte Carlo method for the Boltzmann equation
• A hybrid MD-DSMC coupling method to investigate flow characteristics of micro-devices
• A preconditioned Navier-Stokes method for two-phase flows with application to cavitation prediction
• An efficient hybrid DSMC/MD algorithm for accurate modeling of micro gas flows
• Atomistic hybrid DSMC/NEMD method for nonequilibrium multiscale simulations
• scientific article; zbMATH DE number 6789886 (Why is no real title available?)
• Multiscale universal interface: a concurrent framework for coupling heterogeneous solvers
• Nonequilibrium molecular-dynamics simulation of net evaporation and net condensation, and evaluation of the gas-kinetic boundary condition at the interphase
• preCICE -- a fully parallel library for multi-physics surface coupling

Cited in

(6)

• Coupling the molecular motion and collision processes in numerical simulations
• Non-intrusive hierarchical coupling strategies for multi-scale simulations in gravitational dynamics
• DL_POLY₃: the CCP5 national UK code for molecular–dynamics simulations
• Effect of collision-partner selection schemes on the accuracy and efficiency of the direct simulation Monte Carlo method
• Multiscale universal interface: a concurrent framework for coupling heterogeneous solvers
• SPARTACUS: an open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows

Describes a project that uses

Uses Software

• mdFoam+
• MUI
• MpCCI
• OpenFOAM
• dsmcFoam
• preCICE
• GitHub

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