Atomic-scale ab initio study of the Zr–H system: II. Interaction of H with plane defects and mechanical properties
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| Title: | Atomic-scale ab initio study of the Zr–H system: II. Interaction of H with plane defects and mechanical properties |
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| Authors: | Domain, C.1,2, Besson, R.2, Legris, A.2 alexandre.legris@univ-lille1.fr |
| Source: | Acta Materialia. Apr2004, Vol. 52 Issue 6, p1495. 8p. |
| Subjects: | Hydrogen, Deformations (Mechanics), Surfaces (Technology), Friction, Strains & stresses (Mechanics), Elastic solids, Material plasticity |
| Abstract: | The interaction of hydrogen with plane defects (free surfaces and stacking faults SF) in the α-Zr–H solid solution was studied using ab initio calculations based on density functional theory. A high amount of H strongly lowers surface excess energies but has little influence on critical cleavage stresses, in contradiction with usual models correlating both quantities. H significantly reduces SF excess energies, thus possibly enhancing planar slip and hindering cross-slip, in agreement with the predictions of the hydrogen-enhanced localised plasticity (HELP) model. [Copyright &y& Elsevier] |
| Copyright of Acta Materialia 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: 12500525 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Atomic-scale ab initio study of the Zr–H system: II. Interaction of H with plane defects and mechanical properties – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Domain%2C+C%2E%22">Domain, C.</searchLink><relatesTo>1,2</relatesTo><br /><searchLink fieldCode="AR" term="%22Besson%2C+R%2E%22">Besson, R.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Legris%2C+A%2E%22">Legris, A.</searchLink><relatesTo>2</relatesTo><i> alexandre.legris@univ-lille1.fr</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Acta+Materialia%22">Acta Materialia</searchLink>. Apr2004, Vol. 52 Issue 6, p1495. 8p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Hydrogen%22">Hydrogen</searchLink><br /><searchLink fieldCode="DE" term="%22Deformations+%28Mechanics%29%22">Deformations (Mechanics)</searchLink><br /><searchLink fieldCode="DE" term="%22Surfaces+%28Technology%29%22">Surfaces (Technology)</searchLink><br /><searchLink fieldCode="DE" term="%22Friction%22">Friction</searchLink><br /><searchLink fieldCode="DE" term="%22Strains+%26+stresses+%28Mechanics%29%22">Strains & stresses (Mechanics)</searchLink><br /><searchLink fieldCode="DE" term="%22Elastic+solids%22">Elastic solids</searchLink><br /><searchLink fieldCode="DE" term="%22Material+plasticity%22">Material plasticity</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: The interaction of hydrogen with plane defects (free surfaces and stacking faults SF) in the α-Zr–H solid solution was studied using ab initio calculations based on density functional theory. A high amount of H strongly lowers surface excess energies but has little influence on critical cleavage stresses, in contradiction with usual models correlating both quantities. H significantly reduces SF excess energies, thus possibly enhancing planar slip and hindering cross-slip, in agreement with the predictions of the hydrogen-enhanced localised plasticity (HELP) model. [Copyright &y& Elsevier] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Acta Materialia 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.actamat.2003.11.031 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 8 StartPage: 1495 Subjects: – SubjectFull: Hydrogen Type: general – SubjectFull: Deformations (Mechanics) Type: general – SubjectFull: Surfaces (Technology) Type: general – SubjectFull: Friction Type: general – SubjectFull: Strains & stresses (Mechanics) Type: general – SubjectFull: Elastic solids Type: general – SubjectFull: Material plasticity Type: general Titles: – TitleFull: Atomic-scale ab initio study of the Zr–H system: II. Interaction of H with plane defects and mechanical properties Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Domain, C. – PersonEntity: Name: NameFull: Besson, R. – PersonEntity: Name: NameFull: Legris, A. IsPartOfRelationships: – BibEntity: Dates: – D: 05 M: 04 Text: Apr2004 Type: published Y: 2004 Identifiers: – Type: issn-print Value: 13596454 Numbering: – Type: volume Value: 52 – Type: issue Value: 6 Titles: – TitleFull: Acta Materialia Type: main |
| ResultId | 1 |
