A first-principles method to calculate fourth-order elastic constants of solid materials

DOI10.1016/J.CPC.2023.108751zbMath1517.74017arXiv2302.01965OpenAlexW4365141452MaRDI QIDQ6105072

Abhiyan Pandit, Angelo Bongiorno

Publication date: 26 June 2023

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

Full work available at URL: https://arxiv.org/abs/2302.01965

zbMATH Keywords

finite difference methodnonlinear elasticitycubic symmetrydensity functional theoryhexagonal symmetrysecond Piola-Kirchhoff stress tensorcrystal

Mathematics Subject Classification ID

Nonlinear elasticity (74B20) Crystalline structure (74E15) Finite difference methods applied to problems in solid mechanics (74S20)

Cites Work

• Nonlinear mechanics of crystals
• Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
• Thermoelasticity of Stressed Materials and Comparison of Various Elastic Constants
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