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Title: Structure of semi-coherent U-Zr (miscible) interfaces.


Abstract not provided.

;  [1];  [1]
  1. (GaTech)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
Report Number(s):
DOE Contract Number:
Resource Type:
Resource Relation:
Conference: Proposed for presentation at the 2017 TMS Annual Meeting & Exhibition held February 26 - March 2, 2017 in San Diego, CA.
Country of Publication:
United States

Citation Formats

Dingreville, Remi Philippe Michel, Chen, Elton, and Deo, Chaitanya. Structure of semi-coherent U-Zr (miscible) interfaces.. United States: N. p., 2017. Web.
Dingreville, Remi Philippe Michel, Chen, Elton, & Deo, Chaitanya. Structure of semi-coherent U-Zr (miscible) interfaces.. United States.
Dingreville, Remi Philippe Michel, Chen, Elton, and Deo, Chaitanya. Wed . "Structure of semi-coherent U-Zr (miscible) interfaces.". United States. doi:.
title = {Structure of semi-coherent U-Zr (miscible) interfaces.},
author = {Dingreville, Remi Philippe Michel and Chen, Elton and Deo, Chaitanya},
abstractNote = {Abstract not provided.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Feb 01 00:00:00 EST 2017},
month = {Wed Feb 01 00:00:00 EST 2017}

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  • 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.more » 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.« less
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