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

DOI10.1016/j.apm.2022.04.011zbMath1503.74019OpenAlexW4293254444MaRDI QIDQ2109629

Joonmyung Choi, Byeonghwa Goh

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

molecular dynamics simulationcoarse-grainingsurface effectmechanical propertymultibody interatomic potential

Mathematics Subject Classification ID

Crystalline structure (74E15)

Uses Software

• LAMMPS
• OVITO

Cites Work

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• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

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