Calculations of single-crystal elastic constants made simple

DOI10.1016/J.CPC.2009.11.017MaRDI QIDQ615108zbMATH OpenOpenAlexFDO

Authors Sumit K. Garg

Publication date 5 January 2011

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

Full work available at URL https://doi.org/10.1016/j.cpc.2009.11.017

zbMATH Keywords

elasticity

Mathematics Subject Classification ID

Crystalline structure (74E15)

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Cites work

• scientific article; zbMATH DE number 3130180 (Why is no real title available?)
• scientific article; zbMATH DE number 3092503 (Why is no real title available?)
• Numerical recipes. The art of scientific computing.
• Solid state physics.

Cited in

(10)

• Caculation of the interatomic force constants for a cubic lattice in the long-wavelength approximation
• Calculation of bulk modulus for highly anisotropic materials
• Microscopic theory of second-order and third-order elastic constants for an NaCl crystal
• Pressure dependence of the elastic constants with application to minerals
• Least square method for the calculation of elastic constants
• \textsc{MechElastic}: a Python library for analysis of mechanical and elastic properties of bulk and 2D materials
• ElasT: a toolkit for thermoelastic calculations
• \textsc{ElasTool}: an automated toolkit for elastic constants calculation
• A first-principles method to calculate fourth-order elastic constants of solid materials
• Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism

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