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Title: Stable atomic structure of NiTi austenite

Abstract

Nitinol (NiTi), the most widely used shape-memory alloy, exhibits an austenite phase that has yet to be identified. The usually assumed austenitic structure is cubic B2, which has imaginary phonon modes, hence it is unstable. We suggest a stable austenitic structure that “on average” has B2 symmetry (observed by x-ray and neutron diffraction), but it exhibits finite atomic displacements from the ideal B2 sites. The proposed structure has a phonon spectrum that agrees with that from neutron scattering, has diffraction spectra in agreement with x-ray diffraction, and has an energy relative to the ground state that agrees with calorimetry data.

Authors:
 [1];  [1]
  1. Ames Laboratory
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1166788
Report Number(s):
IS-J 8471
Journal ID: ISSN 1098-0121; PRBMDO; ArticleNumber: 060102
DOE Contract Number:  
DE-AC02-07CH11358
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 90; Journal Issue: 6
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Zarkevich, Nikolai A, and Johnson, Duane D. Stable atomic structure of NiTi austenite. United States: N. p., 2014. Web. doi:10.1103/PhysRevB.90.060102.
Zarkevich, Nikolai A, & Johnson, Duane D. Stable atomic structure of NiTi austenite. United States. doi:10.1103/PhysRevB.90.060102.
Zarkevich, Nikolai A, and Johnson, Duane D. Fri . "Stable atomic structure of NiTi austenite". United States. doi:10.1103/PhysRevB.90.060102.
@article{osti_1166788,
title = {Stable atomic structure of NiTi austenite},
author = {Zarkevich, Nikolai A and Johnson, Duane D},
abstractNote = {Nitinol (NiTi), the most widely used shape-memory alloy, exhibits an austenite phase that has yet to be identified. The usually assumed austenitic structure is cubic B2, which has imaginary phonon modes, hence it is unstable. We suggest a stable austenitic structure that “on average” has B2 symmetry (observed by x-ray and neutron diffraction), but it exhibits finite atomic displacements from the ideal B2 sites. The proposed structure has a phonon spectrum that agrees with that from neutron scattering, has diffraction spectra in agreement with x-ray diffraction, and has an energy relative to the ground state that agrees with calorimetry data.},
doi = {10.1103/PhysRevB.90.060102},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 6,
volume = 90,
place = {United States},
year = {Fri Aug 01 00:00:00 EDT 2014},
month = {Fri Aug 01 00:00:00 EDT 2014}
}