A parallel algorithm for the concurrent atomistic-continuum methodology

DOI10.1016/j.jcp.2022.111140OpenAlexW4224124782MaRDI QIDQ2671340

Steven J. Plimpton, Youping Chen, Adrian Diaz, David L. McDowell, Yang Li, Boyang Gu

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

parallel algorithmsmolecular dynamicsnonequilibrium processesLAMMPSconcurrent atomistic-continuum method

Mathematics Subject Classification ID

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

Related Items (1)

A concurrent multiscale method based on smoothed molecular dynamics for large-scale parallel computation at finite temperature

Uses Software

• ParaView
• Kokkos

Cites Work

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• Atomistic counterpart of micromorphic theory
• Generalized models and non-classical approaches in complex materials. 1. Dedicated to the memory of Gérard Maugin
• A New Active Set Algorithm for Box Constrained Optimization
• Microcontinuum Field Theories
• On the equivalence of the two foundational formulations for atomistic flux in inhomogeneous transport processes
• Electronic Structure

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