Objective molecular dynamics for atomistic simulation of macroscopic fluid motion
DOI10.1016/J.JCP.2023.111938OpenAlexW4317214067MaRDI QIDQ2687516FDOQ2687516
Authors: Gunjan Pahlani, Thomas E. Schwartzentruber, Richard D. James 
Publication date: 7 March 2023
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jcp.2023.111938
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gas dynamicsphase transformationnon-equilibrium molecular dynamicsslip-flowfar-from-equilibrium flowsnano-channel flowobjective molecular dynamics
Partial differential equations of mathematical physics and other areas of application (35Qxx) Equilibrium statistical mechanics (82Bxx) Time-dependent statistical mechanics (dynamic and nonequilibrium) (82Cxx)
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- Design of viscometers corresponding to a universal molecular simulation method
- Long time asymptotics for homoenergetic solutions of the Boltzmann equation. Hyperbolic-dominated case
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- Cell List algorithms for nonequilibrium molecular dynamics
Cited In (6)
- Atomistic methods in fluid simulation
- A constitutive relation generalizing the Navier–Stokes theory to high-rate regimes
- Fluid simulations with atomistic resolution: a hybrid multiscale method with field-wise coupling
- Data-driven discovery of governing equations for fluid dynamics based on molecular simulation
- On the kinetic description of the objective molecular dynamics
- Tools for Multiscale Simulation of Liquids Using Open Molecular Dynamics
Uses Software
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