Alloying effects of Zr, Nb, Ta, and W on thermodynamic and mechanical properties of TiC based on first-principles calculation

First-principles calculation has been used to study the temperature-dependent thermodynamic and mechanical properties of TiC with additions of transition metal elements through the combination of quasi-harmonic Debye model and thermal electronic excitation. It is found that the substitution behavior...

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Auteurs principaux:	Rongqi Chen, Liang Chen, Qian Wang, Lei Wang, Chaoping Liang
Format:	Artigo
Langue:	Inglês
Publié:	Elsevier 2024-03-01
Collection:	Nuclear Materials and Energy
Sujets:	Alloying effects TiC Thermodynamic properties Mechanical properties First-principles calculation
Accès en ligne:	http://www.sciencedirect.com/science/article/pii/S2352179124000267
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