Journal
SCRIPTA MATERIALIA
Volume 63, Issue 7, Pages 686-691Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2010.03.049
Keywords
Elastic behavior; First-principles; Electron theory modeling; CALPHAD
Categories
Funding
- NSF [0510180]
- US Automotive Materials Partnership [DE-FC05-02OR22910]
- US Army Research Laboratory [W911NF-08-2-0064]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0510180] Funding Source: National Science Foundation
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1006557] Funding Source: National Science Foundation
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Models for composition and temperature dependencies of single-crystal elastic stiffness coefficients are developed and applied to the Al(12)Mg(17) and hexagonal closed-packed solution phases in the Mg-Al system based on data from first-principles calculations. In combination with models for multi-phases, the bulk, shear, and Young's moduli of Mg-Al alloys are predicted and compared with available experimental data in the literature. It is noted that both phase transition and grain boundary sliding may play important roles in the elastic coefficients as a function of temperature. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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