Journal
SCRIPTA MATERIALIA
Volume 154, Issue -, Pages 134-138Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2018.05.037
Keywords
Shape-memory alloys; Nickel titanium; Phase transformation; Ab initio calculation
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Funding
- 2017 Research Fund of University of Ulsan
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Temperature dependences of the stability and structural parameters of the martensite phase in nickel titanium shape-memory alloys are studied by applying a harmonic approximation within density functional theory. By analyzing detailed free energy landscapes of martensite structures with various monoclinic angles, the transformation barrier between the reported (B19') and the hypothetical (B33) martensite structures, the monoclinic angle, and the lattice constants of the martensite structure have been thoroughly investigated. The results show that the vibrational effect at finite temperatures plays a decisive role in resolving the reported discrepancies between experimental and theoretical results. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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