General energy-strain scheme for accurate evaluation of the Born elasticity term for solid and liquid systems under finite temperature and pressure conditions

DOI10.1016/J.CPC.2019.106940OpenAlexW2977010482MaRDI QIDQ2698796

Hong Xu, Mo Xiong, Xiujian Zhao, Neng Li

Publication date: 25 April 2023

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2019.106940

zbMATH Keywords

Lennard-Jones modelelastic constantsStillinger-Weber potentialstress fluctuation method

Mathematics Subject Classification ID

Mechanics of deformable solids (74-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• Mechanical properties and elastic constants of atomistic systems through the stress-fluctuation formalism
• Fast parallel algorithms for short-range molecular dynamics
• Thermoelasticity of Stressed Materials and Comparison of Various Elastic Constants
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