Least square method for the calculation of elastic constants

DOI10.1016/j.cpc.2011.03.012zbMath1436.74088OpenAlexW1997367168MaRDI QIDQ1943111

Jun Li, Yi Sun, Zhiwei Cui, Fanlin Zeng

Publication date: 15 March 2013

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2011.03.012

zbMATH Keywords

stress fluctuationelastic bath methodLennard-Jones fcc crystalstrain fluctuation

Mathematics Subject Classification ID

Classical linear elasticity (74B05) Numerical and other methods in solid mechanics (74S99)

Related Items (1)

ElasT: a toolkit for thermoelastic calculations

Cites Work

• The Nosé-Poincaré method for constant temperature molecular dynamics
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