Computer simulation of simple and complex atomistic fluids by nonequilibrium molecular dynamics techniques

DOI10.1016/S0010-4655(01)00304-6MaRDI QIDQ5956302zbMATH OpenOpenAlexFDO

Authors B. D. Todd

Publication date 29 September 2002

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/s0010-4655(01)00304-6

zbMATH Keywords

computational fluid dynamicspolymer materialsstandard constitutive equationsthermodynamic and transport properties

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55) Many-body theory; quantum Hall effect (81V70) Transport processes in time-dependent statistical mechanics (82C70) Statistical mechanics of polymers (82D60)

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• Tools for Multiscale Simulation of Liquids Using Open Molecular Dynamics
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• NONCANONICAL POISSON BRACKETS AND HAMILTONIAN EVOLUTION EQUATIONS FOR NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATIONS
• Rheological and entanglement characteristics of linear-chain polyethylene liquids in planar Couette and planar elongational flows
• Nonequilibrium molecular dynamics for bulk materials and nanostructures

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