Publication detail

Energetics of NiTi allotropes under uniaxial compression

ŠESTÁK, P. ČERNÝ, M. POKLUDA, J.

Original Title

Energetics of NiTi allotropes under uniaxial compression

Type

journal article in Web of Science

Language

English

Original 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.

Keywords

Ab initio calculations; Phase transformation; Shape-memory alloys (SMA); Uniaxial compression

Authors

ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J.

Released

1. 5. 2017

ISBN

1359-6462

Periodical

SCRIPTA MATERIALIA

Year of study

133

Number

5

State

United States of America

Pages from

92

Pages to

95

Pages count

4

URL

http://dx.doi.org/10.1016/j.scriptamat.2017.02.020

BibTex

@article{BUT133103,
  author="Petr {Šesták} and Miroslav {Černý} and Jaroslav {Pokluda}",
  title="Energetics of NiTi allotropes under uniaxial compression",
  journal="SCRIPTA MATERIALIA",
  year="2017",
  volume="133",
  number="5",
  pages="92--95",
  doi="10.1016/j.scriptamat.2017.02.020",
  issn="1359-6462",
  url="http://dx.doi.org/10.1016/j.scriptamat.2017.02.020"
}