Ab initio study of H, B, C, N, O, and self-interstitial atoms in hcp-Zr
作者： Daegun You , Shraddha Ganorkar , Minsoo Joo , Donghyun Park , Sooran Kim
DOI: 10.1016/J.JALLCOM.2019.02.144
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摘要: In this work, we investigate the stabilities of H, B, C, N, O, and Zr atoms at various interstitial sites in hcp-Zr using a first-principles theoretical approach. The formation energy of each …
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