An Effective and Easy-to-Implement Boundary Condition for Molecular Dynamics Simulations

DOI10.4208/cicp.OA-2018-0303OpenAlexW2916034062WikidataQ128323121 ScholiaQ128323121MaRDI QIDQ5161650

Xiantao Li, Cheng Yuan, Jerry Zhijian Yang

Publication date: 1 November 2021

Published in: Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.4208/cicp.oa-2018-0303

zbMATH Keywords

boundary conditionsdislocationKrylov spacecrackmolecular dynamics

Mathematics Subject Classification ID

Dynamics of a system of particles, including celestial mechanics (70F99) Numerical methods for initial value problems involving ordinary differential equations (65L05)

Uses Software

• RRQR
• toms/782
• LAMMPS

Cites Work

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