Finite difference approach for multiscale computations of atomic chain at finite temperature

DOI10.1016/j.camwa.2022.01.035OpenAlexW4211161083MaRDI QIDQ2667989

Baiyili Liu, Lei Zhang, Shao-Qiang Tang

Publication date: 2 March 2022

Published in: Computers \& Mathematics with Applications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.camwa.2022.01.035

zbMATH Keywords

multiscale methodfinite temperatureboundary conditionatomic simulationheat jet approach

Mathematics Subject Classification ID

Brittle fracture (74R10) Finite element methods applied to problems in solid mechanics (74S05) Statistical mechanics of crystals (82D25) Applications to the sciences (65Z05) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Cites Work

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• Coarse-graining of multiscale crack propagation
• A phonon heat bath approach for the atomistic and multiscale simulation of solids

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