Interface alloying design to improve the stability and cohesion of W/HfC interface by first-principles study

Journal of Nuclear Materials(2023)

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摘要
•Effects of alloying elements on the stabilities and cohesion properties of the W/HfC interface were investigated.•All main groups and transition metals of group VIB to IIB tend to segregate at interface and increase the interface stability.•A linear model was proposed to account for the correlation between the change of interfacial bonding strength and the variation of bond length between interfacial atoms.•Re was found to enhance the cohesion strength of W/HfC interface by forming a strong Re-C bond.
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关键词
Tungsten,Hafnium carbide,Interface,Cohesion,First-principles calculation
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