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On assessing the accuracy of defect free energy computations - MaRDI portal

On assessing the accuracy of defect free energy computations (Q4613911)

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scientific article; zbMATH DE number 7006978
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English
On assessing the accuracy of defect free energy computations
scientific article; zbMATH DE number 7006978

    Statements

    title
    On assessing the accuracy of defect free energy computations (English)
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    author
    Manh Hong Duong
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    Christoph Ortner
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    Matthew Dobson
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    publication date
    25 January 2019
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    zbMATH Keywords
    defect formation free energy
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    finite temperature
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    material defects
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    Cauchy-Born rule
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    Identifiers

    DOI
    10.1051/m2an/2017052
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    zbMATH DE Number
    7006978
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    OpenAlex ID
    W2962742632
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    Wikidata QID
    Q59902329
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    arXiv ID
    1602.08643
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