Relaxation mechanisms, structure and properties of semi-coherent interfaces

Shao, Shuai; Wang, Jian

doi:10.3390/met5041887

Title: Relaxation mechanisms, structure and properties of semi-coherent interfaces

Journal Article · Thu Oct 15 00:00:00 EDT 2015 · Metals

DOI:https://doi.org/10.3390/met5041887· OSTI ID:1329899

Shao, Shuai ^[1]; Wang, Jian ^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

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. In conclusion, the various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Materials at Irradiation and Mechanical Extremes (CMIME); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1329899

Report Number(s):: LA-UR-15-26388; MBSEC7

Journal Information:: Metals, Vol. 5, Issue 4; ISSN 2075-4701

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 10 works

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