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First-principles study of high temperature and high-pressure behavior of carbides and nitrides of group IVB elements |
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| Authors: | Vinayak Mishra Shashank Chaturvedi |
| Affiliation: | 1. Computational Analysis Division, Bhabha Atomic Research Centre, Visakhapatnam, Indiav.mishra.11@gmail.com vinayakm@barc.gov.in;3. Computational Analysis Division, Bhabha Atomic Research Centre, Visakhapatnam, India |
| Abstract: | |
| Keywords: | transition metal compounds quasi-harmonic approximations specific heat high-temperature bulk modulus phase transformation |