Elastic3rd: A tool for calculating third-order elastic constants from first-principles calculations

The third-order elastic constants (TOECs) are fundamental to describe crystal’s nonlinear response to stress, and can be applied to explore anharmonic properties of crystals such as Grüneisen parameters, thermal expansion coefficient, and the effect of pressure on second-order elastic constants (SOE...

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Bibliographische Detailangaben

1. Verfasser:	Liao, Mingqing
Format:	Dataset
Sprache:	eng
Schlagworte:	Computational Physics Condensed Matter Physics Elasticity FOS: Physical sciences
Online-Zugang:	Volltext bestellen
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