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

DOI10.1016/j.compfluid.2020.104726OpenAlexW3087734525MaRDI QIDQ2245257

Yanyan Li

Publication date: 15 November 2021

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

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

zbMATH Keywords

direct simulation Monte Carlomolecular dynamicscouplingsupercomputing

Mathematics Subject Classification ID

Fluid mechanics (76-XX)

Related Items (1)

SPARTACUS: an open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows

Uses Software

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

Cites Work

• Multiscale universal interface: a concurrent framework for coupling heterogeneous solvers
• Atomistic hybrid DSMC/NEMD method for nonequilibrium multiscale simulations
• A convergence proof for Bird's direct simulation Monte Carlo method for the Boltzmann equation
• A preconditioned Navier-Stokes method for two-phase flows with application to cavitation prediction
• preCICE -- a fully parallel library for multi-physics surface coupling
• A comparison of models for the evaporation of the Lennard-Jones fluid
• A hybrid MD-DSMC coupling method to investigate flow characteristics of micro-devices
• Nonequilibrium molecular-dynamics simulation of net evaporation and net condensation, and evaluation of the gas-kinetic boundary condition at the interphase
• An Efficient Hybrid DSMC/MD Algorithm for Accurate Modeling of Micro Gas Flows
• Unnamed Item

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