Twin nucleation from a single &lt;c+a&gt; dislocation in hexagonal close-packed crystals

Jiang, Lu; Radmilović, Velimir; Sabisch, Julian E.C.; Qi, Liang; Minor, Andrew M.; Chrzan, D. C.; Asta, Mark

doi:10.1016/j.actamat.2020.10.038

Cited by 19 publications

(2 citation statements)

References 45 publications

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“…[196] In ab initio models, twin nucleation is typically treated utilizing the extended Peierls-Nabarro theory, [197,198] with DFT calculations used to enumerate the atomistic fault energy. This was recently carried out successfully for cubic and hexagonal materials [199][200][201][202] and even for the monoclinic B19' martensite of the Ni-Ti-Hf shape memory alloy. [203] This, nevertheless, cannot capture the nucleation of a twin as a geometric object in a mechanically loaded crystal.…”

Section: Interaction With External Forces: Elastic Constants and Mobi...mentioning

confidence: 99%

Experimental Observations versus First‐Principles Calculations for Ni–Mn–Ga Ferromagnetic Shape Memory Alloys: A Review

Seiner

Zelený

Sedlák

et al. 2022

Physica Rapid Research Ltrs

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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.

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Section: Interaction With External Forces: Elastic Constants and Mobi...mentioning

confidence: 99%

Experimental Observations versus First‐Principles Calculations for Ni–Mn–Ga Ferromagnetic Shape Memory Alloys: A Review

Seiner

Zelený

Sedlák

et al. 2022

Physica Rapid Research Ltrs

View full text Add to dashboard Cite

show abstract

“…One line of work has focused on the atomistic scale where the energetics of twinning, nucleation of twins, the structure of twin boundaries, and the interaction of individual dislocations with a twin boundary are determined [7,8,9,10,11]. While these studies provide important insights and inputs to larger-scale models, they are insufficient to describe deformation morphology and overall macroscopic response.…”

Section: Introductionmentioning

confidence: 99%

Interaction between Deformation Twinning and Dislocation Slip in Polycrystalline Solids

Ocegueda

Ghosh

2022

SSRN Journal

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Deformation-induced grain rotation and grain boundary formation achieved through dislocation-disclination reactions in polycrystalline hexagonal close-packed metals

Gao

Zha

et al. 2023

Acta Materialia

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Twin nucleation from a single <c+a> dislocation in hexagonal close-packed crystals

Cited by 19 publications

References 45 publications

Experimental Observations versus First‐Principles Calculations for Ni–Mn–Ga Ferromagnetic Shape Memory Alloys: A Review

Experimental Observations versus First‐Principles Calculations for Ni–Mn–Ga Ferromagnetic Shape Memory Alloys: A Review

Interaction between Deformation Twinning and Dislocation Slip in Polycrystalline Solids

Deformation-induced grain rotation and grain boundary formation achieved through dislocation-disclination reactions in polycrystalline hexagonal close-packed metals

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