Atomistic hybrid DSMC/NEMD method for nonequilibrium multiscale simulations

DOI10.1016/J.JCP.2009.10.035zbMATH Open1329.82119OpenAlexW1991155251MaRDI QIDQ846569FDOQ846569

Authors Kai Gu, Joel Koplik, Charles B. jun. Watkins

Publication date 9 February 2010

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2009.10.035

zbMATH Keywords

coupled methoddirect simulation Monte Carlohybrid simulationsnonequilibrium molecular dynamics

Mathematics Subject Classification ID

Monte Carlo methods (65C05)

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Cites work

• scientific article; zbMATH DE number 3160927 (Why is no real title available?)
• scientific article; zbMATH DE number 1082719 (Why is no real title available?)
• scientific article; zbMATH DE number 3091796 (Why is no real title available?)
• A combined continuum/DSMC technique for multiscale analysis of microfluidic filters
• A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow
• A generalized hard-sphere model for Monte Carlo simulation
• A generalized soft-sphere model for Monte Carlo simulation
• A hybrid continuum/particle approach for modeling subsonic, rarefied gas flows.
• DIRECT SIMULATION MONTE CARLO: Recent Advances and Applications
• Hybrid atomistic--continuum method for the simulation of dense fluid flows
• The Art of Molecular Dynamics Simulation
• Variable soft sphere molecular model for inverse-power-law or Lennard-Jones potential

Cited in

(6)

• An efficient hybrid DSMC/MD algorithm for accurate modeling of micro gas flows
• Assessment and development of the gas kinetic boundary condition for the Boltzmann equation
• Coupling molecular dynamics and direct simulation Monte Carlo using a general and high-performance code coupling library
• Gas-kinetic unified algorithm for two-dimensional planar and axisymmetric nozzle flows
• A hybrid MD-DSMC coupling method to investigate flow characteristics of micro-devices
• Establishing a data-based scattering kernel model for gas-solid interaction by molecular dynamics simulation

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