Thermal and structural properties of the martensitic transformations in Fe7Pd3 shape memory alloys: an ab initio-based molecular dynamics study

Autor: Alexander Holm, Stefan G Mayr
Jazyk: angličtina
Rok vydání: 2019
Předmět:
Zdroj: New Journal of Physics, Vol 21, Iss 6, p 063007 (2019)
Druh dokumentu: article
ISSN: 1367-2630
DOI: 10.1088/1367-2630/ab20f0
Popis: Ferromagnetic shape memory alloys, including the Fe _7 Pd _3 system, constitute an upcoming class of functional materials, whose atomic-scale physical foundations are still insufficiently understood. The present work employs molecular dynamics simulations, based on ab initio derived embedded atom method potentials, to study martensitic transformations and twin variant reorientation. We address thermal and stress induced austenite-martensite transitions, twinning, as well as twin boundary mobility. While the predicted thermal properties are in accordance with experimental observations, we explore the detailed crystallography underlying transformation as well as twin boundary motion.
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