Related papers: Melting at dislocations and grain boundaries: A Ph…
Based on the formula for the number density of vacancies in a solid under the stress or tension, the model of grain boundary diffusion in crystalline solids is developed. We obtain the activation energy of grain boundary diffusion…
A phase field theory of polycrystalline solidification is presented that is able to describe the nucleation and growth of anisotropic particles with different crystallographic orientation in three dimensions. As opposed with the…
Smectic liquid crystals are charcterized by layers that have a preferred uniform spacing and vanishing curvature in their ground state. Dislocations in the smectics play an important role in phase nucleation, layer reorientation, and…
In order to address the growth of crystals in veins, a multiphase-field model is used to capture the dynamics of crystals precipitating from a super-saturated solution. To gain a detailed understanding of the polycrystal growth phenomena in…
A generalized model to study dislocation loops growth in irradiated binary Zr-based alloys is presented. It takes into account temperature effects, efficiencies of loops to absorb point defects dependent on the loop size, an influence of…
To investigate the barrier effect of grain boundaries on the propagation of avalanche-like plasticity at the atomic-scale, we perform three-dimensional molecular dynamics simulations by using simplified polycrystal models including…
A phase eld approach is developed to model wetting and heterogeneous crystal nucleation of an undercooled pure liquid in contact with a sharp wall. We discuss various choices for the boundary condition at the wall and determine the…
The multi-phase-field approach is generalized to treat capillarity-driven diffusion parallel to the surfaces and phase-boundaries, i.e. the boundaries between a condensed phase and its vapor and the boundaries between two or multiple…
We study numerically the melting of a horizontal layer of a pure solid above a convecting layer of its fluid rotating about the vertical axis. In the rotating regime studied here, with Rayleigh numbers of order $10^7$, convection takes the…
The properties of the processes of deformation of a packing of rigid grains are analysed when the exact distribution of the normal forces at contacts is known. Importance of grain rotation and of counter-rotation of adjacent grains is…
Molecular dynamics simulations are used to investigate strain localization in a model nanocrystalline metal. The atomic mechanisms of such catastrophic failure are first studied for two grain sizes of interest. Detailed analysis shows that…
Grain growth in polycrystals typically stagnates at long times. We identify disconnection climb, limited by vacancy diffusion, as a fundamental microscopic mechanism underlying this behavior. Using a phase-field crystal framework extended…
We study the quantum melting of stripe phases in models with competing short range and long range interactions decaying with distance as $1/r^{\sigma}$ in two space dimensions. At zero temperature we find a two step disordering of the…
Based on a model of the melting of Grain Boundary (GB), we discuss the possibility of the existence of superheated GB state. A Molecular Dynamics simulation presented here shows that the superheated GB state can realized in the high…
The thermodynamic dislocation theory presented in preceding papers is used here to describe shear-banding instabilities. Central ingredients of the theory are a thermodynamically defined effective configurational temperature, and a formula…
Percolation in systems made up of randomly placed impermeable grains is often examined in the context of system spanning clusters of connected solids forming above a relatively low critical grain density $\rho_{c1}$ or networks of…
The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent…
The complex arrangements of atoms near grain boundaries are difficult to understand theoretically. We propose a phenomenological (Ginzburg-Landau-like) description of crystalline phases based on symmetries and fairly general stability…
We present a multiscale modelling framework that integrates density functional theory (DFT) with a phase-field model (PFM) to explore the intricate dynamics of grain growth in nanocrystalline {\alpha}-Fe single-phase alloy in the presence…
Topological defects in graphene, dislocations and grain boundaries, are still not well understood despites the considerable number of experimental observations. We introduce a general approach for constructing dislocations in graphene…