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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 PublicationComputational Materials Science
ISSN0927-0256
Volume90Pages:56-60
AbstractThermal 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
KeywordFirst-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
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Language英语
Document Type期刊论文
Identifierhttp://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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