Tools for Multiscale Simulation of Liquids Using Open Molecular Dynamics

DOI10.1007/978-3-642-21943-6_7MaRDI QIDQ2897262zbMATH OpenOpenAlexFDO

Authors Rafael Delgado-Buscalioni

Publication date 10 July 2012

Published in Numerical Analysis of Multiscale Computations (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-642-21943-6_7

zbMATH Keywords

molecular dynamicsNewtonian fluidspolymer meltscontinuum fluid dynamics (CFD) solvermultiscale simulation of liquidsNon-Newtonian liquids

Mathematics Subject Classification ID

Non-Newtonian fluids (76A05) Statistical mechanics of polymers (82D60) Statistical mechanics of liquids (82D15) Software, source code, etc. for problems pertaining to fluid mechanics (76-04)

Recommendations

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• Computer simulation of simple and complex atomistic fluids by nonequilibrium molecular dynamics techniques
• On multiscale non-equilibrium molecular dynamics simulations
• Objective molecular dynamics for atomistic simulation of macroscopic fluid motion
• Aspects of parallel molecular dynamics software for nano-fluidics
• Multibaric–Multithermal Ensemble Simulation for Simple Liquids

Cites work

• scientific article; zbMATH DE number 3825358 (Why is no real title available?)
• A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow
• A continuum-atomistic simulation of heat transfer in micro- and nano-flows
• A general strategy for designing seamless multiscale methods
• A hybrid particle-continuum method for hydrodynamics of complex fluids
• Adaptive mesh and algorithm refinement using direct simulation Monte Carlo
• Algorithm refinement for stochastic partial differential equations. I: Linear diffusion.
• Analytical and numerical study of coupled atomistic-continuum methods for fluids
• Calculation of viscoelastic flow using molecular models: The CONNFFESSIT approach
• Heterogeneous multiscale method for the modeling of complex fluids and micro-fluidics
• Heterogeneous multiscale methods: a review
• Hybrid atomistic--continuum method for the simulation of dense fluid flows
• Hybrid atomistic-continuum formulations and the moving contact-line problem
• MULTISCALE FLOW SIMULATIONS USING PARTICLES

Cited in

(5)

• Molecular systems with open boundaries: theory and simulation
• Analytical and computational studies of correlations of hydrodynamic fluctuations in shear flow
• Multibaric–Multithermal Ensemble Simulation for Simple Liquids
• Concurrent multiscale modelling of atomistic and hydrodynamic processes in liquids
• ESPResSo 3.1: Molecular Dynamics Software for Coarse-Grained Models

Describes a project that uses

Uses Software

• AdResS

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