On assessing the accuracy of defect free energy computations

DOI10.1051/m2an/2017052zbMath1455.74023arXiv1602.08643OpenAlexW2962742632WikidataQ59902329 ScholiaQ59902329MaRDI QIDQ4613911

Christoph Ortner, Manh Hong Duong, Matthew Dobson

Publication date: 25 January 2019

Published in: ESAIM: Mathematical Modelling and Numerical Analysis (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1602.08643

zbMATH Keywords

finite temperatureCauchy-Born rulematerial defectsdefect formation free energy

Mathematics Subject Classification ID

Crystalline structure (74E15) Stochastic and other probabilistic methods applied to problems in solid mechanics (74S60)

Related Items (3)

Thermodynamic limit of the transition rate of a crystalline defect ⋮ On assessing the accuracy of defect free energy computations ⋮ Finite Temperature Cauchy--Born Rule and Stability of Crystalline Solids with Point Defects

Cites Work

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• On assessing the accuracy of defect free energy computations
• Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches

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