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Physics of Metals and Metallography
Erschienen in: Physics of Metals and Metallography 1/2019

01.01.2019 | STRUCTURE, PHASE TRANSFORMATIONS, AND DIFFUSION

Structural Vacancy Model of Grain Boundaries

verfasst von: A. V. Weckman, B. F. Dem’yanov

Erschienen in: Physics of Metals and Metallography | Ausgabe 1/2019

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Abstract

A structural vacancy model of tilt grain boundaries in metals has been developed. For construction of the stable structure of the boundary, the initial pattern was chosen according to the CSL model. The introduction of additional atoms and vacancies into the boundary region and shifting of atoms by the interatomic forces stabilize its structure. The criterion of a stable structure is the grain-boundary energy. The comparison of two main approaches to the stabilization of the grain structure demonstrated that changing the number of atoms at the boundary is more energetically advantageous than the relative shift of grains. The stability of the structure obtained has been studied under the shear stress. In the model developed, atomic structures obtained with pair and many-body potentials have been compared. The comparative analysis has shown that the grain-boundary structure does not depend on the choice of potential; atomic positions differ by less than 0.1 Å, which is 2.5% of the lattice parameter. The atomic structure is in agreement with experimental images of grain boundaries.
Vorheriger Artikel Anion Mobility and Cation Diffusion in Alkali Metal Borohydrides
Nächster Artikel Superplasticity of an Ultrafine-Grained Ti–4% Al–1% V–3% Mo Alloy

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Metadaten
Titel
Structural Vacancy Model of Grain Boundaries
verfasst von
A. V. Weckman
B. F. Dem’yanov
Publikationsdatum
01.01.2019
Verlag
Pleiades Publishing
Erschienen in
Physics of Metals and Metallography / Ausgabe 1/2019
Print ISSN: 0031-918X
Elektronische ISSN: 1555-6190
DOI
https://doi.org/10.1134/S0031918X18110200

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