A Comprehensive Study of Al2O3 Mechanical Behavior Using Density Functional Theory and Molecular Dyn...
A Comprehensive Study of Al2O3 Mechanical Behavior Using Density Functional Theory and Molecular Dynamics
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Basel: MDPI AG
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Language
English
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Basel: MDPI AG
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This study comprehensively investigates Al2O3′s mechanical properties, focusing on fracture toughness, surface energy, Young’s modulus, and crack propagation. The density functional theory (DFT) is employed to model the vacancies in Al2O3, providing essential insights into this material’s structural stability and defect formation. The DFT simulatio...
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Full title
A Comprehensive Study of Al2O3 Mechanical Behavior Using Density Functional Theory and Molecular Dynamics
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TN_cdi_doaj_primary_oai_doaj_org_article_165c20000b2c435d94c10b4e93d2509f
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_165c20000b2c435d94c10b4e93d2509f
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ISSN
1420-3049
E-ISSN
1420-3049
DOI
10.3390/molecules29051165
