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- W2000375855 abstract "Amorphous tantala, titania, and hafnia are important oxides for biomedical implants, optics, and gate insulators. Understanding the effects of oxide doping is crucial to optimize performance in these applications. However, no molecular dynamics potentials have been created to date that combine these and other oxides that would allow computational analyses of doping-dependent structural and mechanical properties. We report a novel set of computationally efficient, two-body potentials modeling van der Waals and covalent interactions that reproduce the structural and elastic properties of both pure and doped amorphous oxides. In addition, we demonstrate that the potential accurately produces energy barrier distributions for pure and doped samples. The distributions can be directly compared to experiment and used to calculate physical quantities such as internal friction to understand how doping affects material properties. Future analyses using these potentials will be of great value to determine optimal doping concentrations and material combinations for myriad material science applications." @default.
- W2000375855 created "2016-06-24" @default.
- W2000375855 creator A5004441687 @default.
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- W2000375855 date "2013-10-21" @default.
- W2000375855 modified "2023-09-27" @default.
- W2000375855 title "Unified interatomic potential and energy barrier distributions for amorphous oxides" @default.
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- W2000375855 cites W1971433560 @default.
- W2000375855 cites W1972443907 @default.
- W2000375855 cites W1973449409 @default.
- W2000375855 cites W1973613712 @default.
- W2000375855 cites W1980959628 @default.
- W2000375855 cites W1985572772 @default.
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- W2000375855 cites W1991457814 @default.
- W2000375855 cites W1993036859 @default.
- W2000375855 cites W1995451768 @default.
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- W2000375855 doi "https://doi.org/10.1063/1.4825197" @default.
- W2000375855 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24160526" @default.
- W2000375855 hasPublicationYear "2013" @default.
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