Energetics of NiTi allotropes under uniaxial compression. (May 2017)

• Record Type: Journal Article
• Authors: Šesták, Petr; Černý, Miroslav; Pokluda, Jaroslav
• Is Part Of: Scripta materialia. Number 133(2017)
• Page Start: 92
• Page End: 95
• Publication Date: 2017-05
• Subjects: Ab initio calculation -- Phase transformation -- Shape-memory alloys (SMA) -- Uniaxial compression; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2017.02.020
• Languages: English
• ISSNs: 1359-6462

Abstract

Abstract: The response of three NiTi allotropes to compressive uniaxial loading was studied theoretically using density functional theory. In particular, structural transformations observed along the axial compression of the theoretically predicted ground-state (base-centered orthorhombic) structure, the orthorhombic transitive structure (prototype AuCd), and cubic austenite were thoroughly investigated. The results showed that the presence of relatively low compressive stresses made NiTi martensite energetically more favorable in monoclinic structures than in orthorhombic structures. Graphical Abstract: