2021
DOI: 10.1016/j.commatsci.2021.110713
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Vacancy-cluster and off-lattice metal-atom diffusion mechanisms in transition metal carbides

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Cited by 6 publications
(1 citation statement)
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“…For example, the C vacancy migration energy is 4.00 eV in TaC and 3.79 eV in TiC. In addition, vacancy clusters containing one metal vacancy surrounded by six carbon vacancies has the lowest formation energy in group IVB carbides, whereas the vacancy clusters with the lowest formation energy in group VB carbides only contain metal vacancy surrounded by wo carbon vacancies 28 . Both factors will contribute to fewer and smaller vacancy clusters in TaC, and thus the suppressed bubble formation.…”
Section: Resultsmentioning
confidence: 99%
“…For example, the C vacancy migration energy is 4.00 eV in TaC and 3.79 eV in TiC. In addition, vacancy clusters containing one metal vacancy surrounded by six carbon vacancies has the lowest formation energy in group IVB carbides, whereas the vacancy clusters with the lowest formation energy in group VB carbides only contain metal vacancy surrounded by wo carbon vacancies 28 . Both factors will contribute to fewer and smaller vacancy clusters in TaC, and thus the suppressed bubble formation.…”
Section: Resultsmentioning
confidence: 99%