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Elastic, thermochemical and thermophysical properties of rock salt-type transition metal carbides and nitrides: A first principles study
, G Sai Gautam
Published in Elsevier
2014
Volume: 587
   
Pages: 380 - 386
Abstract
The rock salt-type transition metal carbides and nitrides are excellent refractory materials as well as important microstructural constituents in High Strength Low Alloy (HSLA) steels. Therefore, it is important to have knowledge on their elastic, thermophysical and thermochemical properties in order to gain deeper understanding of their role in these contexts. In this paper we report their mechanical properties such as the elastic constants, various moduli, Poisson's ratio and cleavage energies, thermochemical properties such as the energy of formation and cohesive energy and physical properties such as the p-V relation, first derivative of bulk modulus with respect to pressure, Debye temperature and the heat capacity determined using first principles calculations. Wherever possible, corresponding experimental data have been compared with and a good agreement is seen. © 2013 Elsevier B.V. All rights reserved.
About the journal
JournalData powered by TypesetJournal of Alloys and Compounds
PublisherData powered by TypesetElsevier
ISSN09258388
Open AccessNo
Concepts (18)
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    COHESIVE ENERGIES
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    First principles
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    First-principles calculation
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    First-principles study
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    HIGH STRENGTH LOW ALLOY STEELS
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    Micro-structural
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    THERMOCHEMICAL PROPERTIES
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    TRANSITION METAL CARBIDE
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    Alloy steel
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    Carbides
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    High strength alloys
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    High strength steel
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    Mechanical properties
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    SALT DEPOSITS
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    Thermochemistry
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    Thermodynamic properties
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    Transition metals
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    Nitrides