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Stable atomic structure of NiTi austenite

TitleStable atomic structure of NiTi austenite
Publication TypeJournal Article
Year of Publication2014
AuthorsZarkevich, NA, Johnson, DD
JournalPhysical Review B
Date Published08
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000341164800001
Keywordsalloy, crystal-structures, density, energy, martensitic-transformation, tini

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.

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