Elastic moduli of advanced orthorhombic binary and ternary metal (V, Ta, Nb) nitrides with the U2S3 structure
✍ Scribed by Esther Nkiruka Orisakwe; Vinit Sharma; John E. Lowther
- Book ID
- 104542018
- Publisher
- John Wiley and Sons
- Year
- 2012
- Tongue
- English
- Weight
- 633 KB
- Volume
- 249
- Category
- Article
- ISSN
- 0370-1972
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✦ Synopsis
Abstract
The elastic constants and isotropic moduli of a recently synthesized orthorhombic ternary metal nitride are examined using first‐principles calculations. Tantalum nitride has the largest moduli but other metals such as vanadium or niobium are shown to affect the elastic constants. It is suggested that such metals could be incorporated into the Ta–N material and play a critical role in engineering its properties. Low concentrations of V seem especially significant leading to a stabilized metallic material with possible enhancement of hardness relative to Ta~2~N~3~. There are significant results between various computational approaches.