A generalized O-element approach for analyzing interface structures

Zhang, Jin-Yu; Gao, Yipeng; Wang, Yunzhi; Zhang, Wen-Zheng

doi:10.1016/j.actamat.2018.12.005

Title: A generalized O-element approach for analyzing interface structures

Journal Article · 10 December 2018 · Acta Materialia

DOI: https://doi.org/10.1016/j.actamat.2018.12.005 · OSTI ID:1610544

Zhang, Jin-Yu ^[1];

^[2]; Wang, Yunzhi ^[2]; Zhang, Wen-Zheng ^[3]

Tsinghua Univ., Beijing (China); DOE/OSTI
The Ohio State Univ., Columbus, OH (United States)
Tsinghua Univ., Beijing (China)

A correct description of interfacial dislocations is critical to the understanding of physical and mechanical properties of the interfaces and their impact on phase transformation and deformation mechanisms. The O-lattice theory provides a general theoretical framework for determining interfacial dislocation structures. However, for systems having an invariant line (IL) or an invariant plane, the O-elements do not always exist in the three-dimensional (3D) space, which impedes the capability of the O-lattice theory to the interfaces in these systems. To determine the dislocation structures in interfaces for which the O-elements do not extend in the 3D space, we introduce a generalized O-element approach by employing the Moore-Penrose pseudoinverse. The generalized O-elements, as the least square solutions to the O-lattice, play a parallel role as that of the ideal O-elements and extend the candidate locations for the coherent regions between dislocations. Worked examples for dislocation structures in both homo-phase and hetero-phase systems are presented. The predicted interface structures are in good agreement with experimental observations and molecular statics (MS)/molecular dynamics (MD) simulations.

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Research Organization:: The Ohio State University, Columbus, OH (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC)

Grant/Contract Number:: SC0001258

OSTI ID:: 1610544

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Journal Issue: C Vol. 165; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
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