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Article: Finite Temperature Structure and Thermodynamics of the Au Σ5 (001) Twist Boundary

TitleFinite Temperature Structure and Thermodynamics of the Au Σ5 (001) Twist Boundary
Authors
Issue Date1990
Citation
Journal of Materials Research, 1990, v. 5, n. 11, p. 2663-2676 How to Cite?
AbstractThe structure and thermodynamic properties of a Σ5 (001) twist boundary in gold are studied as a function of temperature. This study was performed within the framework of the Local Harmonic (LH) model and employed an Embedded Atom Method (EAM) potential for gold. We find that for the Σ5 (001) twist boundary in gold, a distorted CSL structure is stable at low temperatures, but undergoes a phase transformation to a DSC related structure near room temperature. This transformation is shown to be first order. The temperature dependences of the excess grain boundary free energy, enthalpy, entropy, specific heat, and excess volume are calculated. Discontinuities are observed in the slope of the grain boundary excess free energy (versus temperature), in the value of the grain boundary excess specific heat and excess volume. The stable high temperature grain boundary structure has a smaller excess volume than does the lower temperature structure, and both structures have a coefficient of thermal expansion which is in excess of that for the perfect crystal. © 1990, Materials Research Society. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/303106
ISSN
2023 Impact Factor: 2.7
2023 SCImago Journal Rankings: 0.569
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorNajafabadi, R.-
dc.contributor.authorSrolovitz, D. J.-
dc.contributor.authorLeSar, R.-
dc.date.accessioned2021-09-15T08:24:38Z-
dc.date.available2021-09-15T08:24:38Z-
dc.date.issued1990-
dc.identifier.citationJournal of Materials Research, 1990, v. 5, n. 11, p. 2663-2676-
dc.identifier.issn0884-2914-
dc.identifier.urihttp://hdl.handle.net/10722/303106-
dc.description.abstractThe structure and thermodynamic properties of a Σ5 (001) twist boundary in gold are studied as a function of temperature. This study was performed within the framework of the Local Harmonic (LH) model and employed an Embedded Atom Method (EAM) potential for gold. We find that for the Σ5 (001) twist boundary in gold, a distorted CSL structure is stable at low temperatures, but undergoes a phase transformation to a DSC related structure near room temperature. This transformation is shown to be first order. The temperature dependences of the excess grain boundary free energy, enthalpy, entropy, specific heat, and excess volume are calculated. Discontinuities are observed in the slope of the grain boundary excess free energy (versus temperature), in the value of the grain boundary excess specific heat and excess volume. The stable high temperature grain boundary structure has a smaller excess volume than does the lower temperature structure, and both structures have a coefficient of thermal expansion which is in excess of that for the perfect crystal. © 1990, Materials Research Society. All rights reserved.-
dc.languageeng-
dc.relation.ispartofJournal of Materials Research-
dc.titleFinite Temperature Structure and Thermodynamics of the Au Σ5 (001) Twist Boundary-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1557/JMR.1990.2663-
dc.identifier.scopuseid_2-s2.0-0025517016-
dc.identifier.volume5-
dc.identifier.issue11-
dc.identifier.spage2663-
dc.identifier.epage2676-
dc.identifier.eissn2044-5326-
dc.identifier.isiWOS:A1990EH57600051-

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