Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials

Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials

Understanding the stability limit of crystalline materials under variable tensile stress conditions is of capital interest for technological applications. In this study, we present results from first-principles density functional theory calculations that quantitatively account for the response of se...

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Bibliographic Details
Main Authors: Hocine Chorfi, Álvaro Lobato, Fahima Boudjada, Miguel A. Salvadó, Ruth Franco, Valentín G. Baonza, J. Manuel Recio
Format: Article
Language:English
Published: MDPI AG 2019-10-01
Series:Nanomaterials
Subjects:
ideal strength
quantum-mechanical calculations
sic
graphite
molybdenum disulfide
spinodal equation of state
Online Access:https://www.mdpi.com/2079-4991/9/10/1483

Internet

https://www.mdpi.com/2079-4991/9/10/1483

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