Interatomic potential for the NiTi alloy and its application.
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| Title: | Interatomic potential for the NiTi alloy and its application. |
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| Authors: | Ren, Guowu1,2 guowu.ren@yahoo.com, Sehitoglu, Huseyin2 |
| Source: | Computational Materials Science. Oct2016, Vol. 123, p19-25. 7p. |
| Subjects: | Interatomic angles, Nickel-titanium alloys, Phase transitions, Strains & stresses (Mechanics), Chemical processes |
| Abstract: | We construct a new interatomic potential for the NiTi alloy, consisting of the previously existing potentials for Ni and Ti and the cross-interaction terms by fitting to ab initio or experimental data of several Ni–Ti compounds. This potential correctly reproduces the lattice parameter, cohesive energy and equation of state for B2, B19 and B19′ phases. It also predicts three elastic constants of B2 (austenite) phase matching with experiments and thirteen elastic constants of B19′ (martensite) phase in satisfactory agreement with ab initio calculations, which are provided for the first time in comparison with other developed potentials. Additionally, the calculated moduli for B2 and B19′ are in accurate accord with the experimental findings. These good consistencies validate the usefulness of this potential for modeling the martensitic transformation of NiTi alloy induced by temperature or stress control. [ABSTRACT FROM AUTHOR] |
| Copyright of Computational Materials Science 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: 117010879 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Interatomic potential for the NiTi alloy and its application. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Ren%2C+Guowu%22">Ren, Guowu</searchLink><relatesTo>1,2</relatesTo><i> guowu.ren@yahoo.com</i><br /><searchLink fieldCode="AR" term="%22Sehitoglu%2C+Huseyin%22">Sehitoglu, Huseyin</searchLink><relatesTo>2</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Computational+Materials+Science%22">Computational Materials Science</searchLink>. Oct2016, Vol. 123, p19-25. 7p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Interatomic+angles%22">Interatomic angles</searchLink><br /><searchLink fieldCode="DE" term="%22Nickel-titanium+alloys%22">Nickel-titanium alloys</searchLink><br /><searchLink fieldCode="DE" term="%22Phase+transitions%22">Phase transitions</searchLink><br /><searchLink fieldCode="DE" term="%22Strains+%26+stresses+%28Mechanics%29%22">Strains & stresses (Mechanics)</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+processes%22">Chemical processes</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: We construct a new interatomic potential for the NiTi alloy, consisting of the previously existing potentials for Ni and Ti and the cross-interaction terms by fitting to ab initio or experimental data of several Ni–Ti compounds. This potential correctly reproduces the lattice parameter, cohesive energy and equation of state for B2, B19 and B19′ phases. It also predicts three elastic constants of B2 (austenite) phase matching with experiments and thirteen elastic constants of B19′ (martensite) phase in satisfactory agreement with ab initio calculations, which are provided for the first time in comparison with other developed potentials. Additionally, the calculated moduli for B2 and B19′ are in accurate accord with the experimental findings. These good consistencies validate the usefulness of this potential for modeling the martensitic transformation of NiTi alloy induced by temperature or stress control. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Computational Materials Science 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.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=117010879 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.commatsci.2016.06.012 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 7 StartPage: 19 Subjects: – SubjectFull: Interatomic angles Type: general – SubjectFull: Nickel-titanium alloys Type: general – SubjectFull: Phase transitions Type: general – SubjectFull: Strains & stresses (Mechanics) Type: general – SubjectFull: Chemical processes Type: general Titles: – TitleFull: Interatomic potential for the NiTi alloy and its application. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Ren, Guowu – PersonEntity: Name: NameFull: Sehitoglu, Huseyin IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 10 Text: Oct2016 Type: published Y: 2016 Identifiers: – Type: issn-print Value: 09270256 Numbering: – Type: volume Value: 123 Titles: – TitleFull: Computational Materials Science Type: main |
| ResultId | 1 |
