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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...

Ausführliche Beschreibung

Gespeichert in:
Hauptverfasser: Rongqi Chen, Liang Chen, Qian Wang, Lei Wang, Chaoping Liang
Format: Artigo
Sprache:Inglês
Veröffentlicht: Elsevier 2024-03-01
Schriftenreihe:Nuclear Materials and Energy
Schlagworte:
Alloying effects
TiC
Thermodynamic properties
Mechanical properties
First-principles calculation
Online-Zugang:http://www.sciencedirect.com/science/article/pii/S2352179124000267
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