Heat flux expressions that satisfy the conservation laws in atomistic system involving multibody potentials

DOI10.1016/J.JCP.2015.03.050MaRDI QIDQ349987zbMATHOpenAlexFDO

Authors Jeong-Hoon Song, Yao Fu

Publication date 5 December 2016

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

Full work available at URL https://doi.org/10.1016/j.jcp.2015.03.050

zbMATH Keywords

conservation lawsheat fluxatomistic-continuummultibody potentialthermomechanical quantities

Mathematics Subject Classification ID

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Cites work

• A bridging domain method for coupling continua with molecular dynamics
• A critique of atomistic definitions of the stress tensor
• A material frame approach for evaluating continuum variables in atomistic simulations
• A unified interpretation of stress in molecular systems
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• An analysis of the quasicontinuum method
• Coupled atomistic--continuum simulations using arbitrary overlapping domains
• Heterogeneous multiscale methods: a review
• Multiscale plasticity modeling: Coupled atomistics and discrete dislocation mechanics
• On the Cauchy—Born Rule
• On the physical interpretation of fields in continuum mechanics
• THE MOTIVATION OF CONTINUUM CONCEPTS AND RELATIONS FROM DISCRETE CONSIDERATIONS
• The Art of Molecular Dynamics Simulation

Cited in

(2)

• Time correlation formula for the heat of transport associated with atom-vacancy exchange in a crystal
• An \textit{hp}-proper orthogonal decomposition-moving least squares approach for molecular dynamics simulation

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