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Metals 2015, 5(4), 1887-1901; doi:10.3390/met5041887

Relaxation Mechanisms, Structure and Properties of Semi-Coherent Interfaces

Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
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Author to whom correspondence should be addressed.
Academic Editors: Peter K. Liaw, Yong Zhang and Yong Yang
Received: 12 August 2015 / Revised: 9 October 2015 / Accepted: 12 October 2015 / Published: 15 October 2015
(This article belongs to the Special Issue Serration and Noise Behavior in Advanced Materials)
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Abstract

In this work, using the Cu–Ni (111) semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE) profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes). This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes. The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes’ structural transformation. Several node structures have been observed and analyzed. The various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies. View Full-Text
Keywords: atomistic simulations; dislocation; interface structure; nucleation; nodes; face-centered-cubic crystals atomistic simulations; dislocation; interface structure; nucleation; nodes; face-centered-cubic crystals
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Shao, S.; Wang, J. Relaxation Mechanisms, Structure and Properties of Semi-Coherent Interfaces. Metals 2015, 5, 1887-1901.

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