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First-Principles Calculations of the Elastic Properties of ZrC and ZrN.

✍ Scribed by Dayong Cheng; Shaoqing Wang; Hengqiang Ye


Publisher
John Wiley and Sons
Year
2004
Weight
8 KB
Volume
35
Category
Article
ISSN
0931-7597

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The phase stability and elastic properties of Re-B system were systematically investigated by use of the density functional theory. The formation enthalpies are negative for Re(3)B, Re(7)B(3), Re(2)B, ReB, Re(2)B(3), and ReB(2), indicating that they are thermodynamically stable. Re(7)B(3), Re(2)B, R