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

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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Bibliographic Details
Main Authors: Rongqi Chen, Liang Chen, Qian Wang, Lei Wang, Chaoping Liang
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Nuclear Materials and Energy
Subjects:
Alloying effects
TiC
Thermodynamic properties
Mechanical properties
First-principles calculation
Online Access:http://www.sciencedirect.com/science/article/pii/S2352179124000267

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http://www.sciencedirect.com/science/article/pii/S2352179124000267

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