Atomistic modeling of Pt additions to NiAl

被引：7
|
作者：
del Grosso, M. F. [2 ,3 ]
Mosca, H. O. [2 ,3 ]
Bozzolo, G. [1 ,4 ]
机构：
[1] Ohio Aerosp Inst, Cleveland, OH 44142 USA
[2] UA Fis, Comis Nacl Energia Atom, San Martin, Argentina
[3] FRG Pacheco, UTN, GCMM, Gral, Pacheco, Argentina
[4] NASA, Glenn Res Ctr, Cleveland, OH 44135 USA
来源：
INTERMETALLICS | 2008年 / 16卷 / 11-12期
关键词：
Nickel aluminides; based on NiAl; Thermal properties; Site occupancy; Simulations; atomistic; Aero-engine components;
D O I：
10.1016/j.intermet.2008.08.006
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Modeling of the behavior of Pt additions to NiAl alloys is performed using a quantum approximate technique suitable for the study of site preference, phase structure, bulk properties and the coefficient of thermal expansion for the B2 NiAlPt phase field. An atom-by-atom analysis yields insight into the quantitative and qualitative changes in these properties as a function of Pt concentration. (C) 2008 Elsevier Ltd. All rights reserved.
引用
收藏
页码：1305 / 1309
页数：5
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