Finding new phases for precipitate-hardening in platinum and palladium alloys

被引：3

作者：

Carr, Derek A. ^{[1
]}

Corbitt, Jacqueline ^{[1
]}

Hart, Gregory R. ^{[1
]}

Gilmartin, Erin ^{[1
]}

Hart, Gus L. W. ^{[1
]}

机构：

[1] Brigham Young Univ, Dept Phys & Astron, Provo, UT 84602 USA

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2012年 / 51卷 / 01期

基金：

美国国家科学基金会;

关键词：

Platinum; Palladium; Platinum alloys; Palladium alloys; Cluster expansion; Alloy modeling; Alloy thermodynamics; SHORT-RANGE-ORDER; X-RAY-DIFFRACTION; AB-INITIO; CU-PD; DIFFUSE-SCATTERING; TRANSITION-METAL; STABILITY;

D O I：

10.1016/j.commatsci.2011.06.028

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Precipitate hardening (via ordered phases rather than phase separation) of platinum and palladium can be effective even with a small volume-fraction of the ordered phase [M. Carelse, C.I. Lang, Scripta Materialia 54 (7) (2006) 1311]. The approach is particularly well suited to jewelry alloys which must be 95 wt.% pure and where ordered phases of 7:1 or 8:1 stoichiometries can be formed. We examined eight systems where this approach may lead to new applications: Pt-Al, Pd-Al, Pd-Cu, Pd-Mg, Pd-Nb, Pt-Mo, Pt-V, and Pd-V. In each system, using first-principles-based cluster expansion modeling, we have identified high stoichiometric-ratio phases that are stable. Furthermore, using Monte Carlo simulations, we have estimated the order-disorder transition temperatures to identify experimentally feasible phases. In three cases, the computational results are verified by experiment, suggesting that the remaining predictions are likely to be useful as well. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：331 / 339

页数：9

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