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Influence of pressure on dislocation, disclination, and generalized-disclination structures of a {310}/[001] tilt grain boundary in MgO

  • Xiao-Yu Sun (a1), Vincent Taupin (a2), Patrick Cordier (a1), Claude Fressengeas (a2) and Bijaya B. Karki (a3)...
Abstract

Due to gravitational self-compression, the pressure in planetary interiors can reach millions of times the atmospheric pressure. Such high pressure has a significant influence on their rheology. In the present paper, we focus on how pressure in the range of the Earth's lower mantle may influence the structure of a MgO {310}/[001] tilt boundary. The defected structure of the grain boundary (GB) will be described through its dislocation, disclination, and generalized-disclination (g-disclination) density fields. At first, the strain and rotation fields in the boundary area at different pressures are derived from the discrete atomic positions simulated by first-principles calculations. For each pressure, the discontinuities of displacement, rotation, and strain in the boundary area are continuously rendered by dislocation, disclination, and g-disclination density fields, respectively. These density fields measured at different pressures are compared to provide understanding on how pressure does influence the GB structures in Earth materials.

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      Influence of pressure on dislocation, disclination, and generalized-disclination structures of a {310}/[001] tilt grain boundary in MgO
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      Influence of pressure on dislocation, disclination, and generalized-disclination structures of a {310}/[001] tilt grain boundary in MgO
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Copyright
This is an Open Access article, distributed under the terms of the Creative Commons Attribution licence (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted re-use, distribution, and reproduction in any medium, provided the original work is properly cited.
Corresponding author
a) Address all correspondence to this author. e-mail: xiaoyu.sun@univ-lille1.fr
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Journal of Materials Research
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