Dynamic stabilization of cubic AuZn
2015 (English)In: Materials today: Proceedings, 2015, Vol. 2, S569-S572 p.Conference paper (Refereed)Text
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) 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
Lattice dynamics, anharmonicity, shape-memory alloys
IdentifiersURN: urn:nbn:se:uu:diva-285963DOI: 10.1016/j.matpr.2015.07.349ISI: 000371032100019OAI: oai:DiVA.org:uu-285963DiVA: diva2:921803
14th International Conference on Martensitic Transformations (ICOMAT), JUL 06-11, 2014, Bilbao, SPAIN