Thermal expansion of quaternary nitride coatings. (6th March 2018)

• Record Type: Journal Article
• Authors: Tasnádi, Ferenc; Wang, Fei; Odén, Magnus; Abrikosov, Igor A
• Is Part Of: Journal of physics. Volume 30:Number 13(2018)
• Publication Date: 2018-03-06
• Subjects: thermal expansion -- Ti–Al–N systems -- quaternary alloys; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/1361-648X/aab0b8
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: The thermal expansion coefficient of technologically relevant multicomponent cubic nitride alloys are predicted using the Debye model with ab initio elastic constants calculated at 0 K and an isotropic approximation for the Grüneisen parameter. Our method is benchmarked against measured thermal expansion of TiN and Ti(1− x ) Al x N as well as against results of molecular dynamics simulations. We show that the thermal expansion coefficients of Ti(1− x − y ) X y Al x N (X = Zr, Hf, Nb, V, Ta) solid solutions monotonously increase with the amount of alloying element X at all temperatures except for Zr and Hf, for which they instead decrease for y ≳ 0.5 .