Abstract

We review the mechanical theory of dislocation and disclination density fields and its application to grain boundary modeling. The theory accounts for the incompatibility of the elastic strain and curvature tensors due to the presence of dislocations and disclinations. The free energy density is assumed to be quadratic in elastic strain and curvature and has nonlocal character. The balance of loads in the body is described by higher-order equations using the work-conjugates of the strain and curvature tensors, i.e., the stress and couple-stress tensors. Conservation statements for the translational and rotational discontinuities provide a dynamic framework for dislocation and disclination motion in terms of transport relationships. Plasticity of the body is therefore viewed as being mediated by both dislocation and disclination motion. The driving forces for these motions are identified from the mechanical dissipation, which provides guidelines for the admissible constitutive relations. On this basis, the theory is expressed as a set of partial differential equations where the unknowns are the material displacement and the dislocation and disclination density fields. The theory is applied in cases where rotational defects matter in the structure and deformation of the body, such as grain boundaries in polycrystals and grain boundary-mediated plasticity. Characteristic examples are provided for the grain boundary structure in terms of periodic arrays of disclination dipoles and for grain boundary migration under applied shear.

Highlights

  • Disclinations and dislocations were simultaneously introduced by Volterra, more than a century ago [1]

  • The elasto-plastic model of dislocations and disclinations essentially consists of a set of partial differential equations, where the unknowns are the material displacement and dislocation/disclination density fields resolved at an atomic resolution length scale, and evolving at the time scale of the elementary dissipative mechanisms [18]

  • It is nonlocal in space and time in the conventional variables of compatible continuum mechanics and it provides a nonlocal incompatible generalization of the latter leading to well-posed problems in dislocation and disclination dynamics

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Summary

Introduction

Disclinations and dislocations were simultaneously introduced by Volterra, more than a century ago [1]. We benefit from the mechanical theory of dislocation fields [22], which deals with dislocation-mediated plasticity In the latter, the material displacement and dislocation density fields are derived from a set of partial differential equations complemented with initial and boundary conditions, provided constitutive information for the elastic behavior and dislocation motion is supplied [23]. The material displacement and dislocation density fields are derived from a set of partial differential equations complemented with initial and boundary conditions, provided constitutive information for the elastic behavior and dislocation motion is supplied [23] This theory was shown to capture well complex features of elasto-plastic deformation such as size effects [24,25], directional hardening [24,26], plastic strain localization [27], dislocation cores [28,29] and patterning of dislocation ensembles [30,31]. A plane “edge-wedge” model is detailed in Section 8, and used in Sections 9 and 10 to investigate the structure and mobility of grain boundaries seen as periodic arrays of disclination dipoles

Mathematical Notations
Incompatibility in the Dislocation Model
Incompatibility in the Dislocation and Disclination Model
Field Equations
Solving the Incompatible Elasticity Problem
Transport of Dislocations and Disclinations
Constitutive Relations for Dislocation and Disclination Mobility
Solution Algorithms
Complete Algorithm
Reduced Algorithm
Numerical Implementation
A Plane Edge-Wedge Model
Structure and Elastic Energy of Symmetric Tilt Boundaries
10. Shear-Coupled Migration of Symmetric Tilt Boundaries
11. Concluding Remarks
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