Journal
JOURNAL OF APPLIED PHYSICS
Volume 117, Issue 11, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4915339
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Funding
- development and application of high performance magnesium alloy [LT2013004]
- key forming technology and component development of magnesium alloys [2013201018]
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The structural, mechanical, electronic, and thermodynamic properties of Mg2Sr with C14-type structure under pressures ranging from 0 to 40 GPa have been systematically studied within the framework of density functional theory in this work. The results at zero pressure were in good agreement with the available theoretical and experimental values. The pressure dependence of structure and elastic constants, elastic anisotropy, Cauchy pressure, melting points, and hardness was successfully calculated and discussed. In addition, the electronic density of states (DOSs) under various pressures were investigated. Debye temperature and the dependences of thermodynamic properties on temperature and pressure were also discussed in the present paper. (C) 2015 AIP Publishing LLC.
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