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Interfaces between Al2O3 and beta-Ni(1-x)Al(x) alloys: complex structures and Ab initio thermodynamics | | Jiwei Feng
; Wenqing Zhang
; Wan Jiang
; Hui Gu
; | | Date: |
15 Dec 2006 | | Journal: | Phys Rev Lett, 97 (24), 246102 | | Abstract: | A methodology to study the structural stability of binary alloy/Al2O3 interfaces is developed by expanding the conventional ab initio thermodynamics to include the dependence on alloy composition. Results on beta-Ni(1-x)Al(x)/Al2O3 interfaces predict the existence of two types of stable interfaces. The stable interface at equilibrium with Al-rich or strictly 1:1 alloy contains an Al2-terminated Al2O3 surface and continues with NiAl layers, and the interface at equilibrium with Ni-rich alloy has Al accumulation but continues with a Ni-rich and then NiAl layers. Works of separation for the two interfaces are close to each other. | | Source: | PubMed, pmid17280303 | | Services: | Forum | Review | Favorites | |
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