Least square method for the calculation of elastic constants

DOI10.1016/J.CPC.2011.03.012MaRDI QIDQ1943111zbMATH OpenOpenAlexFDO

Authors 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

elastic bath methodLennard-Jones fcc crystalstrain fluctuationstress fluctuation

Mathematics Subject Classification ID

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

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Cites work

• scientific article; zbMATH DE number 404707 (Why is no real title available?)
• scientific article; zbMATH DE number 787736 (Why is no real title available?)
• The Nosé-Poincaré method for constant temperature molecular dynamics

Cited in

(6)

• Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism
• Caculation of the interatomic force constants for a cubic lattice in the long-wavelength approximation
• Least-Squares Methods for Linear Elasticity
• FORMULAE FOR THE CALCULATION AND ESTIMATION OF WRITHE
• ElasT: a toolkit for thermoelastic calculations
• Calculations of single-crystal elastic constants made simple

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