Publication detail
Experimental Observations versus First-Principles Calculations for Ni-Mn-Ga Ferromagnetic Shape Memory Alloys: A Review
SEINER, H. ZELENÝ, M. SEDLÁK, P. STRAKA, L. HECZKO, O.
English title
Experimental Observations versus First-Principles Calculations for Ni-Mn-Ga Ferromagnetic Shape Memory Alloys: A Review
Type
journal article in Web of Science
Language
en
Original abstract
This review summarizes recent advances in first-principles simulations of the structural, mechanical, and magnetomechanical properties of Ni-Mn-Ga-based ferromagnetic shape memory alloys from the perspective of experimental characterization. It focuses on calculations that can capture the main features of the low-temperature phases, particularly the appearance of spatial modulations, the occurrence of intermartensitic transitions, and the high mobility of the twin boundaries, which allows for magnetically induced reorientation. Although the calculations can only be used to interpret some of these features and are not yet ready to be used as a tool for designing new alloys with the required properties, the gap between experimental observations and simulations is narrowing. When experiments and theory are discussed together, new challenges arise for both. In addition, new results on first-principles-determined elastic constants of the 10M martensite of Ni-Mn-Ga are presented and discussed with respect to the high mobility of the twin boundaries.
English abstract
This review summarizes recent advances in first-principles simulations of the structural, mechanical, and magnetomechanical properties of Ni-Mn-Ga-based ferromagnetic shape memory alloys from the perspective of experimental characterization. It focuses on calculations that can capture the main features of the low-temperature phases, particularly the appearance of spatial modulations, the occurrence of intermartensitic transitions, and the high mobility of the twin boundaries, which allows for magnetically induced reorientation. Although the calculations can only be used to interpret some of these features and are not yet ready to be used as a tool for designing new alloys with the required properties, the gap between experimental observations and simulations is narrowing. When experiments and theory are discussed together, new challenges arise for both. In addition, new results on first-principles-determined elastic constants of the 10M martensite of Ni-Mn-Ga are presented and discussed with respect to the high mobility of the twin boundaries.
Keywords in English
ferromagnetic shape memory alloys; first-principles calculations; magnetically induced reorientation; martensite; twins
Released
05.03.2022
Publisher
WILEY-V C H VERLAG GMBH
Location
WEINHEIM
ISSN
1862-6270
Volume
16
Number
6
Pages from–to
2100632–-
Pages count
19
BIBTEX
@article{BUT178258,
author="Hanuš {Seiner} and Martin {Zelený} and Petr {Sedlák} and Ladislav {Straka} and Oleg {Heczko},
title="Experimental Observations versus First-Principles Calculations for Ni-Mn-Ga Ferromagnetic Shape Memory Alloys: A Review",
year="2022",
volume="16",
number="6",
month="March",
pages="2100632---",
publisher="WILEY-V C H VERLAG GMBH",
address="WEINHEIM",
issn="1862-6270"
}