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First-principles study of the phase stability of fcc-based Ti-Al alloys

机译：fcc基Ti-al合金相稳定性的第一性原理研究

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In this paper we present results of a first-principles phase stability study of fcc-based Ti-Al alloys. In particular the full-potential linear muffin tin orbital method has been used to determine heats of formation and other zero-temperature properties of 9 fcc ordered superstructures as well as fcc and hcp Ti, and fcc Al. From these results a set of effective cluster interactions are determined which are used in a cluster variation method calculation of the thermodynamic properties and the composition-temperature phase diagram of fcc-based alloys.

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Asta, M; de Fontaine, D; van Schilfgaarde, M; Sluiter, M; Methfessel, M;
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年度 1992
页码 1-12
总页数 12
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
EDB/360102; EDB/665000;

机译：EDB / 360102; EDB / 665000;

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专利

1. First-Principles Investigation of Perfect and Diffuse Antiphase Boundaries in HCP-Based Ti-Al Alloys [J] . A. VAN DE WALLE, M. ASTA Metallurgical and Materials Transactions, A. Physical Metallurgy and Materials Science . 2002,第3Appa期

机译：HCP基Ti-Al合金的完美和扩散反相边界的第一性原理研究
2. First-principles study on thermodynamic stability and electronic characteristics of long-period stacking ordered phases in Mg-Zn-Y alloys [J] . Ma Zhen-Ning, Wang Xun, Yan Ting-Ting, Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2017,第期

机译：Mg-Zn-Y合金中长期堆叠阶段的热力学稳定性和电子特性的第一原理研究
3. First-principles study of stability of the bcc and ω phases of a low Al concentration Nb1 - XAlx alloy [J] . Sanati M., Albers R.C., Lookman T., Journal of Physics. Condensed Matter . 2011,第29期

机译：低Al浓度Nb1-XAlx合金bcc和ω相稳定性的第一性原理研究。
4. ( P120-P0007) First-principles study on effects of alloying elements on phase stabilities in Ti-X solid solution (X= Mo, Al, Sn, Zr, and Nb) [C] . Wenchong ZHOU, Ryoji SAHARA, Koichi TSUCHIYA 日本金属学会春期大会 . 2016

机译：（P120-P0007）第一原理研究合金元素对Ti-X固溶体相稳定性的影响（X = Mo，Al，Sn，Zr和Nb）
5. First-principles calculations of thermodynamic properties and phase diagrams of binary substitutional alloys. [D] . Asta, Mark David. 1993

机译：二元替代合金热力学性质和相图的第一性原理计算。
6. Preparation of High Stability Pd/Ceramic/Ti-Al Alloy Composite Membranes by Electroless Plating [O] . Dongqiang Zhang, Jing Zhao, Ping Yang, 2020

机译：化学镀制备高稳定性Pd /陶瓷/ Ti-Al合金复合膜
7. A First-Principles Study of the Phase Stability of FCC-Based Ti-Al Alloys [O] . Mark Asta, Didier De Fontaine, Mark Van Schilfgaarde, 1992

机译：基于FCC的Ti-Al合金相位稳定性的第一原理研究
8. First-principles study of the phase stability of fcc-based Ti-Al alloys [R] . Asta, M., de Fontaine, D., van Schilfgaarde, M., 1992

机译：fcc基Ti-al合金相稳定性的第一性原理研究

First-principles study of the phase stability of fcc-based Ti-Al alloys

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