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• W2044330009 endingPage "3351" @default.
• W2044330009 startingPage "3348" @default.
• W2044330009 abstract "The effects of vacancies on mechanical properties of the transition metal carbides and nitrides are studied using the ab initio pseudopotential approach. Calculated shear elastic stiffness and electronic structures show that the vacancy produces entirely different effects on the mechanical strength of groups IVb nitrides and Vb carbides. It is found that the occupation of shear-unstable metallic dd bonding states changes essentially in an opposite way for the carbides and nitrides in the presence of vacancies, resulting in different responses to shear stress. Our study provides an atomistic understanding of the anomaly in hardness for these substoichiometric materials." @default.
• W2044330009 created "2016-06-24" @default.
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• W2044330009 date "2001-04-09" @default.
• W2044330009 modified "2023-10-15" @default.
• W2044330009 title "Vacancy Hardening and Softening in Transition Metal Carbides and Nitrides" @default.
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• W2044330009 doi "https://doi.org/10.1103/physrevlett.86.3348" @default.
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