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Dynamic stabilization of cubic AuZn
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Linkoping Univ, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden.;CALTECH, Dept Appl Phys & Mat Sci, Pasadena, CA 91125 USA..
Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA..
Linkoping Univ, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden..
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2015 (English)In: Materials today: Proceedings, 2015, Vol. 2, S569-S572 p.Conference paper (Refereed)Text
Abstract [en]

A recently developed temperature-dependent effective potential method is employed to study the martensitic phase transformation in AuZn. This method is based on ab initio molecular dynamics and allows to obtain finite-temperature lattice vibrational properties. We show that the transversal acoustic TA(2)[110] mode associated with the phase transition is stabilized at 300 K. Temperature evolution of single-phonon dynamic structure factor at the wave vector q= 1/3[1,1,0], associated with phonon softening and Fermi surface nesting, was also studied.

Place, publisher, year, edition, pages
2015. Vol. 2, S569-S572 p.
, Materials today: Proceedings, ISSN 2214-7853
Keyword [en]
Lattice dynamics, anharmonicity, shape-memory alloys
National Category
Materials Engineering
URN: urn:nbn:se:uu:diva-285963DOI: 10.1016/j.matpr.2015.07.349ISI: 000371032100019OAI: diva2:921803
14th International Conference on Martensitic Transformations (ICOMAT), JUL 06-11, 2014, Bilbao, SPAIN
Available from: 2016-04-21 Created: 2016-04-20 Last updated: 2016-04-21Bibliographically approved

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Isaeva, LeylaEriksson, Olle
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