A parallel algorithm for the concurrent atomistic-continuum methodology

DOI10.1016/J.JCP.2022.111140MaRDI QIDQ2671340zbMATH OpenOpenAlexFDO

Authors A. Díaz, Boyang Gu, Yang Li, Steven J. Plimpton, David L. Mcdowell, Youping Chen

Publication date 3 June 2022

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

Full work available at URL https://doi.org/10.1016/j.jcp.2022.111140

zbMATH Keywords

concurrent atomistic-continuum methodLAMMPSmolecular dynamicsnonequilibrium processesparallel algorithms

Mathematics Subject Classification ID

Mechanics of deformable solids (74-XX) Generalities, axiomatics, foundations of continuum mechanics of solids (74Axx) Time-dependent statistical mechanics (dynamic and nonequilibrium) (82Cxx)

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Cites work

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• Coarse-graining atomistic dynamics of brittle fracture by finite element method
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• Connecting molecular dynamics to micromorphic theory. II: Balance laws
• Electronic Structure
• Examining the physical foundation of continuum theories from the viewpoint of phonon dispersion relation
• Fast parallel algorithms for short-range molecular dynamics
• Generalized models and non-classical approaches in complex materials. 1. Dedicated to the memory of Gérard Maugin
• scientific article; zbMATH DE number 3127869 (Why is no real title available?)
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• Microcontinuum Field Theories
• On the equivalence of the two foundational formulations for atomistic flux in inhomogeneous transport processes

Cited in

(3)

• A concurrent multiscale method based on smoothed molecular dynamics for large-scale parallel computation at finite temperature
• A call to arms for task parallelism in multi-scale materials modeling
• Unifying temperature definition in atomistic and field representations of conservation laws

Describes a project that uses

Uses Software

• ParaView
• Kokkos

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