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The properties of dielectric and piezoelectric oxides are determined by their processing history, crystal structure, chemical composition, microstructure, dopants (or defect) distribution, and defect kinetics. These materials are essential…
Defects in liquid crystals are of great practical importance and theoretical interest. Despite tremendous efforts, predicting the location and transition of defects under various topological constraint and external field remains to be a…
Point defects are a universal feature of crystalline materials. Their identification is often addressed by combining experimental measurements with theoretical models. The standard approach of simulating defects is, however, prone to…
The viscoplastic deformation (creep) of crystalline materials under constant stress involves the motion of a large number of interacting dislocations. Analytical methods and sophisticated `dislocation-dynamics' simulations have proved very…
Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…
Dislocation-mediated plastic deformation in ceramic materials has sparked renewed research interest due to the technological potential of dislocations. Despite the long research history of dislocations as one-dimensional lattice defects in…
High entropy oxides (HEOs) are a rapidly growing class of compositionally complex ceramics in which configurational disorder is engineered to unlock novel functionality. While average crystallographic symmetry is often retained, local…
Plastic deformation of crystals is a physical phenomenon, which has immensely driven the development of human civilisation since the onset of the Chalcolithic period. This process is primarily governed by the motion of line defects, called…
We develop and demonstrate the first general computational tool for finite deformation static and dynamic dislocation mechanics. A finite element formulation of finite deformation (Mesoscale) Field Dislocation Mechanics theory is presented.…
Architected materials can exhibit remarkable combinations of stiffness, strength, and toughness, yet their application is currently limited by an incomplete understanding of how cracks initiate and propagate through their discrete…
Dislocations in crystalline materials are widely exploited to tailor the thermal conductivity of semiconductors and thermoelectrics, yet a critical gap persists: direct measurement of local thermal resistance at individual buried…
Ductility quantifies a material's capacity for plastic deformation, and it is a key property for preventing fracture driven failure in engineering parts. While some brittle materials exhibit improved ductility at small scales, the processes…
The static stress needed to depin a 2D edge dislocation, the lower dynamic stress needed to keep it moving, its velocity and displacement vector profile are calculated from first principles. We use a simplified discrete model whose far…
A new approach for characterizing the dislocation microstructure obtained from atomistic simulations is introduced, which relies on converting properties of discrete lines to continuous data. This data is represented by a number of density…
Plastic deformation of metals involves the complex evolution of dislocations forming strongly connected dislocation networks. These dislocation networks are based on dislocation reactions, which can form junctions during the interactions of…
Dislocations are fundamental crystal defects whose stress fields govern a wide range of material properties. The analytical form of the stress tensor around single dislocation was established by elasticity theory more than 80 years ago and…
Freestanding tubular crystals offer a general description of crystalline order on deformable surfaces with cylindrical topology, such as single-walled carbon nanotubes, microtubules, and recently reported colloidal assemblies. These systems…
Disclinations lines play a key role in many physical processes, from the fracture of materials to the formation of the early universe. Achieving versatile control over disclinations is key to developing novel electro-optical devices,…
The dynamics of dislocations can be formulated in terms of the evolution of continuous variables representing dislocation densities ('continuum dislocation dynamics'). We show for various variants of this approach that the resulting models…
Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…