Tunable twin stability and an accurate magnesium interatomic potential for dislocation-twin interactions.
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| Title: | Tunable twin stability and an accurate magnesium interatomic potential for dislocation-twin interactions. |
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| Authors: | Pei, Zongrui1 peizongrui@gmail.com, Sheng, Howard2 hsheng@gmu.edu, Zhang, Xie3 x.zhang@engineering.ucsb.edu, Li, Rui4, Svendsen, Bob5,6 |
| Source: | Materials & Design. Sep2018, Vol. 153, p232-241. 10p. |
| Subjects: | Twin boundaries, Dislocation interactions, Stability (Mechanics), Magnesium alloys, Density functional theory |
| Abstract: | We showed that there are two variants of twin boundaries for each twin system in hexagonal close-packed materials in our previous study. In this work we further demonstrate that the mechanical stability of these two twin variants in Mg are controlled by their energies and theoretically tunable. In the second part of this work, we continue to incorporate this information of twin boundaries into a newly developed embedded-atom-method (EAM) potential for pure Mg. In addition to twins, the other important information of dislocations and stacking faults is also included, which renders our potential among one of the rare comprehensively optimized ones. Therefore our potential is supposed to be able to accurately capture the physics of not only single defect but also defect-defect interactions. The defect-defect interactions have not been adequately addressed, since modeling their long-range force fields based on density functional theory is computationally too expensive. The new potential will supply new momentum to the study of defect-defect (such as twin-dislocation) interactions and the defect-controlled mechanical properties in Mg. Our study therefore sheds light on the design of novel Mg alloys with optimized mechanical properties. [ABSTRACT FROM AUTHOR] |
| Copyright of Materials & Design is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 130124301 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Tunable twin stability and an accurate magnesium interatomic potential for dislocation-twin interactions. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Pei%2C+Zongrui%22">Pei, Zongrui</searchLink><relatesTo>1</relatesTo><i> peizongrui@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Sheng%2C+Howard%22">Sheng, Howard</searchLink><relatesTo>2</relatesTo><i> hsheng@gmu.edu</i><br /><searchLink fieldCode="AR" term="%22Zhang%2C+Xie%22">Zhang, Xie</searchLink><relatesTo>3</relatesTo><i> x.zhang@engineering.ucsb.edu</i><br /><searchLink fieldCode="AR" term="%22Li%2C+Rui%22">Li, Rui</searchLink><relatesTo>4</relatesTo><br /><searchLink fieldCode="AR" term="%22Svendsen%2C+Bob%22">Svendsen, Bob</searchLink><relatesTo>5,6</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Materials+%26+Design%22">Materials & Design</searchLink>. Sep2018, Vol. 153, p232-241. 10p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Twin+boundaries%22">Twin boundaries</searchLink><br /><searchLink fieldCode="DE" term="%22Dislocation+interactions%22">Dislocation interactions</searchLink><br /><searchLink fieldCode="DE" term="%22Stability+%28Mechanics%29%22">Stability (Mechanics)</searchLink><br /><searchLink fieldCode="DE" term="%22Magnesium+alloys%22">Magnesium alloys</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: We showed that there are two variants of twin boundaries for each twin system in hexagonal close-packed materials in our previous study. In this work we further demonstrate that the mechanical stability of these two twin variants in Mg are controlled by their energies and theoretically tunable. In the second part of this work, we continue to incorporate this information of twin boundaries into a newly developed embedded-atom-method (EAM) potential for pure Mg. In addition to twins, the other important information of dislocations and stacking faults is also included, which renders our potential among one of the rare comprehensively optimized ones. Therefore our potential is supposed to be able to accurately capture the physics of not only single defect but also defect-defect interactions. The defect-defect interactions have not been adequately addressed, since modeling their long-range force fields based on density functional theory is computationally too expensive. The new potential will supply new momentum to the study of defect-defect (such as twin-dislocation) interactions and the defect-controlled mechanical properties in Mg. Our study therefore sheds light on the design of novel Mg alloys with optimized mechanical properties. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Materials & Design is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.matdes.2018.04.085 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 10 StartPage: 232 Subjects: – SubjectFull: Twin boundaries Type: general – SubjectFull: Dislocation interactions Type: general – SubjectFull: Stability (Mechanics) Type: general – SubjectFull: Magnesium alloys Type: general – SubjectFull: Density functional theory Type: general Titles: – TitleFull: Tunable twin stability and an accurate magnesium interatomic potential for dislocation-twin interactions. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Pei, Zongrui – PersonEntity: Name: NameFull: Sheng, Howard – PersonEntity: Name: NameFull: Zhang, Xie – PersonEntity: Name: NameFull: Li, Rui – PersonEntity: Name: NameFull: Svendsen, Bob IsPartOfRelationships: – BibEntity: Dates: – D: 05 M: 09 Text: Sep2018 Type: published Y: 2018 Identifiers: – Type: issn-print Value: 02641275 Numbering: – Type: volume Value: 153 Titles: – TitleFull: Materials & Design Type: main |
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