期刊
COMPUTATIONAL MATERIALS SCIENCE
卷 90, 期 -, 页码 56-60出版社
ELSEVIER
DOI: 10.1016/j.commatsci.2014.04.016
关键词
First-principles calculations; Aluminum-rare-earth intermetallics; Thermodynamics properties; Solubility
资金
- National Basic Research Program of China [2011CB606403]
- Informalization Construction Project of Chinese Academy of Sciences [INFO-115-B01]
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.
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