Title

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

Document Type

Article

Publication Date

10-28-2016

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.

Publication Source (Journal or Book title)

Journal of Materials Research

First Page

3108

Last Page

3114

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