A spatial upscaling method for describing the three-body potential of a diamond lattice structure

DOI10.1016/J.APM.2022.04.011MaRDI QIDQ2109629zbMATH OpenOpenAlexFDO

Authors Byeonghwa Goh, Joonmyung Choi

Publication date 21 December 2022

Published in Applied Mathematical Modelling (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.apm.2022.04.011

zbMATH Keywords

coarse-grainingmechanical propertymolecular dynamics simulationmultibody interatomic potentialsurface effect

Mathematics Subject Classification ID

Crystalline structure (74E15)

Cites work

• A three-dimensional quasicontinuum approach for predicting biomechanical properties of malaria-infected red blood cell membrane
• Continuum interpretation of virial stress in molecular simulations
• Convergence of fracture process zone size in cohesive zone modeling
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• scientific article; zbMATH DE number 5521655 (Why is no real title available?)
• Introduction to Micromechanics and Nanomechanics
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
• Multiscale analysis for predicting the constitutive tensor effective coefficients of layered composites with micro and macro failures
• The calculation of thermal conductivity, viscosity and thermodynamic properties for nanofluids on the basis of statistical nanomechanics
• Thermodynamics and statistical mechanics. An integrated approach

Describes a project that uses

Uses Software

• OVITO
• LAMMPS

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