First-principles study of thermodynamic properties and solubility of aluminum-rare-earth intermetallics

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	First-principles study of thermodynamic properties and solubility of aluminum-rare-earth intermetallics
	X. D. Zhang; S. Q. Wang
	2014
Source Publication	Computational Materials Science
ISSN	0927-0256
Volume	90 Pages:56-60
Abstract	Thermal properties of several L1(2) Al3RE (RE = Y, Dy, Ho, Er, Tm and Lu) intermetallic compounds are studied using the first-principles phonon calculations. The thermal expansions, the heat capacities at constant pressure, and the isothermal bulk modulus at finite temperatures are obtained from the quasiharmonic approximation. Based on thermodynamic properties, we calculate the solubility of RE elements in Al. We find that the solubility limits increase when the atomic number of RE element decreases from Lu to Y. Dy and Y have the low price and high solubility limits, adding Dy and Y to Al-Sc alloys can reduce the production costs of Al-based alloys. It is meanwhile, Y and Dy have high strengthening capability and much better oxidation resistance, and they are probably the better candidates as potential additions to dilute Al-Sc alloys among several RE elements investigated. (C) 2014 Elsevier B. V. All rights reserved.
description.department	[zhang, xudong ; wang, shaoqing] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [zhang, xudong] shenyang univ technol, sch sci, shenyang 110870, peoples r china. ; zhang, xd (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; vv7879vv@163.com
Keyword	First-principles Calculations Aluminum-rare-earth Intermetallics Thermodynamics Properties Solubility Al-sc Alloy Total-energy Calculations Augmented-wave Method Ab-initio Phase Boundaries Creep-properties Al(Sc) Alloys Basis-set Precipitation Al3sc
URL	查看原文
Language	英语
Document Type	期刊论文
Identifier	http://ir.imr.ac.cn/handle/321006/72969
Collection	中国科学院金属研究所
Recommended Citation GB/T 7714	X. D. Zhang,S. Q. Wang. First-principles study of thermodynamic properties and solubility of aluminum-rare-earth intermetallics[J]. Computational Materials Science,2014,90:56-60.
APA	X. D. Zhang,&S. Q. Wang.(2014).First-principles study of thermodynamic properties and solubility of aluminum-rare-earth intermetallics.Computational Materials Science,90,56-60.
MLA	X. D. Zhang,et al."First-principles study of thermodynamic properties and solubility of aluminum-rare-earth intermetallics".Computational Materials Science 90(2014):56-60.

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