Size- and Interface-Constrained Tensile Behavior of Ti/Ni Polycrystalline Nanolaminates: Insight from Molecular Dynamics.
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| Title: | Size- and Interface-Constrained Tensile Behavior of Ti/Ni Polycrystalline Nanolaminates: Insight from Molecular Dynamics. |
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| Authors: | Su, Mengjia1,2 (AUTHOR) liult@chd.edu.cn, Liu, Lanting2,3 (AUTHOR), Hu, Wei3,4,5 (AUTHOR), Deng, Qiong1,2,4 (AUTHOR) dengqiong24@nwpu.edu.cn |
| Source: | Nanomaterials (2079-4991). May2026, Vol. 16 Issue 10, p588. 21p. |
| Subjects: | Grain size, Interface structures, Nanostructured materials, Molecular dynamics, Tensile tests, Material plasticity |
| Abstract: | Metallic nanolaminates (MNLs) exhibit excellent mechanical properties due to unique modulation and interface structures. However, the correlation between the deformation of nanostructures and the mechanical behavior of the materials remains inadequately elucidated. Molecular dynamics method is performed to investigate coupled effect of grain size (d = 7.5~25.0 nm) and layer thickness (λ = 1.31~15.15 nm) on the tensile behavior of Ti/Ni polycrystalline nanolaminates (PNLs). A plastic co-deformation mechanism involving crystalline phases, interface, and grain boundary under strong size and interface constraints is discovered. The dominant plastic deformation in Ti layer is size-independent HCP-BCC-HCP phase transformation. Dislocations propagation in Ni layer shifts with increasing layer thickness, which manifests as extended dislocations sliding, interaction between moving dislocations and interface dislocations, respectively. When grain sizes or layer thicknesses are small, interface migration, grain boundary diffusion, and grain boundary migration become prominent plastic deformation carriers. The coordinating effect of grain boundary and interface on deformations of different nanostructures endows materials with relatively favorable plastic properties. Moreover, a dimensionless parameter d/λ accounting for grain morphology and interface structure is found to predict the variations in flow stresses and characterize the dominating plastic deformation mechanisms of the stretched Ti/Ni PNLs. [ABSTRACT FROM AUTHOR] |
| Copyright of Nanomaterials (2079-4991) is the property of MDPI 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 |
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| Header | DbId: egs DbLabel: Engineering Source An: 194120570 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Size- and Interface-Constrained Tensile Behavior of Ti/Ni Polycrystalline Nanolaminates: Insight from Molecular Dynamics. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Su%2C+Mengjia%22">Su, Mengjia</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> liult@chd.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Liu%2C+Lanting%22">Liu, Lanting</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Hu%2C+Wei%22">Hu, Wei</searchLink><relatesTo>3,4,5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Deng%2C+Qiong%22">Deng, Qiong</searchLink><relatesTo>1,2,4</relatesTo> (AUTHOR)<i> dengqiong24@nwpu.edu.cn</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Nanomaterials+%282079-4991%29%22">Nanomaterials (2079-4991)</searchLink>. May2026, Vol. 16 Issue 10, p588. 21p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Grain+size%22">Grain size</searchLink><br /><searchLink fieldCode="DE" term="%22Interface+structures%22">Interface structures</searchLink><br /><searchLink fieldCode="DE" term="%22Nanostructured+materials%22">Nanostructured materials</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Tensile+tests%22">Tensile tests</searchLink><br /><searchLink fieldCode="DE" term="%22Material+plasticity%22">Material plasticity</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Metallic nanolaminates (MNLs) exhibit excellent mechanical properties due to unique modulation and interface structures. However, the correlation between the deformation of nanostructures and the mechanical behavior of the materials remains inadequately elucidated. Molecular dynamics method is performed to investigate coupled effect of grain size (d = 7.5~25.0 nm) and layer thickness (λ = 1.31~15.15 nm) on the tensile behavior of Ti/Ni polycrystalline nanolaminates (PNLs). A plastic co-deformation mechanism involving crystalline phases, interface, and grain boundary under strong size and interface constraints is discovered. The dominant plastic deformation in Ti layer is size-independent HCP-BCC-HCP phase transformation. Dislocations propagation in Ni layer shifts with increasing layer thickness, which manifests as extended dislocations sliding, interaction between moving dislocations and interface dislocations, respectively. When grain sizes or layer thicknesses are small, interface migration, grain boundary diffusion, and grain boundary migration become prominent plastic deformation carriers. The coordinating effect of grain boundary and interface on deformations of different nanostructures endows materials with relatively favorable plastic properties. Moreover, a dimensionless parameter d/λ accounting for grain morphology and interface structure is found to predict the variations in flow stresses and characterize the dominating plastic deformation mechanisms of the stretched Ti/Ni PNLs. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Nanomaterials (2079-4991) is the property of MDPI 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: 10.3390/nano16100588 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 21 StartPage: 588 Subjects: – SubjectFull: Grain size Type: general – SubjectFull: Interface structures Type: general – SubjectFull: Nanostructured materials Type: general – SubjectFull: Molecular dynamics Type: general – SubjectFull: Tensile tests Type: general – SubjectFull: Material plasticity Type: general Titles: – TitleFull: Size- and Interface-Constrained Tensile Behavior of Ti/Ni Polycrystalline Nanolaminates: Insight from Molecular Dynamics. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Su, Mengjia – PersonEntity: Name: NameFull: Liu, Lanting – PersonEntity: Name: NameFull: Hu, Wei – PersonEntity: Name: NameFull: Deng, Qiong IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 05 Text: May2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 20794991 Numbering: – Type: volume Value: 16 – Type: issue Value: 10 Titles: – TitleFull: Nanomaterials (2079-4991) Type: main |
| ResultId | 1 |
