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A study on stability and bonding mechanism of bcc-Fe/Ni2AlTi interface based on the first-principles

Interfacial bonding plays a key role in composite performance. In this study, the interface properties of bcc-Fe/Ni2AlTi were explored using first-principles-based DFT simulations. The bcc-Fe(110)/Ni2AlTi(110) interface model was constructed based on the bcc-Fe(110) and Ni2AlTi(110) structures. Para...

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Principais autores: Qing Gao, Peng Hou, Siliang Li, Qi Wang, Junqiang Ren, Yaping Bai, Junchen Li, Hongtao Xue, Xuefeng Lu
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2026-06-01
coleção:Chemical Physics Impact
Assuntos:
Bcc-fe/ni2alti
First-principles
Interfacial
Stability
Brittle behavior
Acesso em linha:http://www.sciencedirect.com/science/article/pii/S2667022426000265
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