Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation

Ishii, Akio; Li, Ju; Ogata, Shigenobu

doi:https://doi.org/10.1016/j.ijplas.2016.01.019

Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation

Ishii, Akio; Li, Ju; Ogata, Shigenobu

International Journal of Plasticity, 2016, 82, 32-43

Number of Access:621（2025-08-14 06:53 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/89309

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Title	Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation
Creator	NRID 1000080773340 1000080773340 researchmap permalink a_ishii a_ishii ORCID 0000-0002-9369-6259 0000-0002-9369-6259 Scopus Author ID 7201558020 7201558020 CreatorName Ishii, Akio
	CreatorName Li, Ju
	NRID 1000020273584 1000020273584 ORCID 0000-0002-9072-4496 0000-0002-9072-4496 researchmap permalink read0185246 read0185246 Scopus Author ID 7201796489 7201796489 CreatorName Ogata, Shigenobu
Subject	Civilian transformation
	Military transformation
	Shuffling-controlled vs. strain-controlled
	Gibbs free energy landscape
	Ab initio calculation of minimum energy path
Abstract	The atomistic pathways of deformation twinning can be computed ab initio, and quantified by two variables: strain which describes shape change of a periodic supercell, and shuffling which describes non-affine displacements of the internal degrees of freedom. The minimum energy path involves juxta-position of both. But if one can obtain the same saddle point by continuously increasing the strain and relaxing the internal degrees of freedom by steepest descent, we call the path strain-controlled, and vice versa. Surprisingly, we find the {101¯2}〈101¯1¯〉 twinning of Mg is shuffling-controlled at the smallest lengthscale of the irreducible lattice correspondence pattern, that is, the reaction coordinate at the level of 4 atoms is dominated by non-affine displacements, instead of strain. Shuffling-controlled deformation twinning is expected to have different temperature and strain-rate sensitivities from strain-controlled deformation twinning due to relatively weaker strength of long-range elastic interactions, in particular at the twin nucleation stage. As the twin grows large enough, however, elastic interactions and displacive character of the transformation should always turn dominant.
Publisher	Elsevier
Source Title	International Journal of Plasticity
Volume (Issue)	82
Page	32-43
Date of Issued	2016-05-27
Language	English
Handle URL	https://hdl.handle.net/11094/89309
PISSN	07496419
NCID	AA10455873
NCID	AA11530850
Relation.isVersionOf	DOI (Publisher Version) https://doi.org/10.1016/j.ijplas.2016.01.019
Access Rights	open access
CopyRight	© 2016. This manuscript version is made available under the CC-BY-NC-ND 4.0 license.
oaire:version	Accepted Manuscript
Category	学術雑誌論文 Journal Article

Resource Type	journal article
Local Type	Journal Article
DCMI Type	Text
DCTERMS.bibliographicCitation	International Journal of Plasticity. 2016, 82, p. 32-43
DC.title	Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation
DC.creator	Ishii, Akio
	Li, Ju
	Ogata, Shigenobu
DC.publisher	Elsevier
DC.language' scheme='DCTERMS.RFC1766	English
DC.type' scheme='DCTERMS.DCMIType	Text
DCTERMS.issued' scheme='DCTERMS.W3CDTF	2016-05-27
DC.identifier	https://doi.org/10.1016/j.ijplas.2016.01.019
DC.subject	Civilian transformation
	Military transformation
	Shuffling-controlled vs. strain-controlled
	Gibbs free energy landscape
	Ab initio calculation of minimum energy path
DCTERMS.abstract	The atomistic pathways of deformation twinning can be computed ab initio, and quantified by two variables: strain which describes shape change of a periodic supercell, and shuffling which describes non-affine displacements of the internal degrees of freedom. The minimum energy path involves juxta-position of both. But if one can obtain the same saddle point by continuously increasing the strain and relaxing the internal degrees of freedom by steepest descent, we call the path strain-controlled, and vice versa. Surprisingly, we find the {101¯2}〈101¯1¯〉 twinning of Mg is shuffling-controlled at the smallest lengthscale of the irreducible lattice correspondence pattern, that is, the reaction coordinate at the level of 4 atoms is dominated by non-affine displacements, instead of strain. Shuffling-controlled deformation twinning is expected to have different temperature and strain-rate sensitivities from strain-controlled deformation twinning due to relatively weaker strength of long-range elastic interactions, in particular at the twin nucleation stage. As the twin grows large enough, however, elastic interactions and displacive character of the transformation should always turn dominant.
DC.rights	© 2016. This manuscript version is made available under the CC-BY-NC-ND 4.0 license.
DC.format	89309
citation_title	Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation
citation_author	Ishii, Akio
	Li, Ju
	Ogata, Shigenobu
citation_publisher	Elsevier
citation_language	English
citation_date	2016-05-27
citation_journal_title	International Journal of Plasticity
citation_volume	82
citation_firstpage	32
citation_lastpage	43
citation_doi	https://doi.org/10.1016/j.ijplas.2016.01.019
citation_public_url	https://hdl.handle.net/11094/89309

Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation

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