Development of an automated reliable method to compute transport properties from DPD equilibrium simulations: application to simple fluids

DOI10.1016/J.CPC.2023.108843zbMATH Open1520.76063MaRDI QIDQ6167672FDOQ6167672

Authors: N. Lauriello, Gianluca Boccardo, Daniele L. Marchisio, Martin Lísal, Antonio Buffo 

Publication date: 7 August 2023

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

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zbMATH Keywords

dissipative particle dynamicstime integrationGreen-Kubo formulaequilibrium methodeffective friction coefficientShardlow splitting algorithmrheological fluid modeltransverse DPD thermostat

Mathematics Subject Classification ID

Particle methods and lattice-gas methods (76M28) Statistical mechanics of liquids (82D15) Foundations, constitutive equations, rheology, hydrodynamical models of non-fluid phenomena (76A99)

Cites Work

• Theory of simple liquids. With applications to soft matter
• Splitting for Dissipative Particle Dynamics
• Simulating flow of DNA suspension using dissipative particle dynamics
• Parallel implementation of isothermal and isoenergetic dissipative particle dynamics using Shardlow-like splitting algorithms
• Energy-conserving dissipative particle dynamics with temperature-dependent properties
• On the numerical treatment of dissipative particle dynamics and related systems
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Cited In (4)

• Parallel implementation of isothermal and isoenergetic dissipative particle dynamics using Shardlow-like splitting algorithms
• Can such Long Time Steps Really be used in Dissipative Particle Dynamics Simulations?
• Determination of statistically reliable transport diffusivities from molecular dynamics simula\-tion
• Representing the fluid particle model to incorporate two non-central components for dissipation forces associated with random forces: a new integral algorithm in the modified dissipative particle dynamics method

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