Related papers: Coupling Phase Field Crystal and Field Dislocation…
We study crystal melting in two-dimensional antiferromagnets, by analyzing the statistical mechanics of the six-state clock model on a lattice in which defects (dislocations and disclinations) are allowed to appear. We show that the…
Defects play a key role in deciding the mechanisms and kinetics of phase transformations. In this paper, we show how dislocations influence phase separation in alloys with miscibility gap. Specifically, depending on the ratio of pipe…
A phase-separation front will leave in its wake a phase-separated morphology that differs markedly from homogeneous phase-separation morphologies. For a purely diffusive system such a front, moving with constant velocity, will generate very…
In this study, we present the first simulation results of the formation of dislocation cell wall microstructures in tantalum subjected to shock loading. Dislocation patterns and cell wall formation are important to understanding the…
The amplitude expansion for a magnetic phase-field-crystal (magnetic APFC) model enables a convenient coarse-grained description of crystalline structures under the influence of magnetic fields. Considering higher-order magnetic coupling…
The anisotropic phase-field crystal model recently proposed and used by Prieler et al. [J. Phys.: Condens. Matter 21, 464110 (2009)] is derived from microscopic density functional theory for anisotropic particles with fixed orientation.…
Point defects in real crystals at finite temperatures are inevitable. Their dynamics severely influence the mechanical properties of crystals under shear giving rise to nonlinear effects such as ductility. Therefore, it is crucial to…
This paper focuses on the connections between four stochastic and deterministic models for the motion of straight screw dislocations. Starting from a description of screw dislocation motion as interacting random walks on a lattice, we prove…
Polymer-dispersed liquid crystal (PDLC) composites have long been a focus of study for their unique electro-optical properties which have resulted in various applications such as switchable (transparent/translucent) windows. These…
We present a new theoretical and numerical framework for modelling mechanically-assisted corrosion in elastic-plastic solids. Both pitting and stress corrosion cracking (SCC) can be captured, as well as the pit-to-crack transition.…
Dislocations play a key role in the understanding of many phenomena in solid state physics, materials science, crystallography and engineering. Dislocations are line defects producing distortions and self-stresses in an otherwise perfect…
A continuum field theory approach is presented for modeling elastic and plastic deformation, free surfaces and multiple crystal orientations in non-equilibrium processing phenomena. Many basic properties of the model are calculated…
Crystalline materials, such as metals and semiconductors, nearly always contain a special defect type called dislocation. This defect decisively determines many important material properties, e.g., strength, fracture toughness, or…
The spontaneous emergence of heterogeneous dislocation patterns is a conspicuous feature of plastic deformation and strain hardening of crystalline solids. Despite long-standing efforts in the materials science and physics of defect…
We present a new mechanistic, phase field-based formulation for predicting hydrogen embrittlement. The multi-physics model developed incorporates, for the first time, a Taylor-based dislocation model to resolve the mechanics of crack tip…
This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…
Using the recently developed theory of rigorously validated numerics, we address the Phase-Field-Crystal (PFC) model at the microscopic (atomistic) level. We show the existence of critical points and local minimizers associated with…
The conserved Swift-Hohenberg equation (or Phase-Field-Crystal [PFC] model) provides a simple microscopic description of the thermodynamic transition between fluid and crystalline states. Combining it with elements of the Toner-Tu theory…
An exactly solvable phase-field theory of dislocation dynamics, strain hardening and hysteresis in ductile single crystals is developed. The theory accounts for: an arbitrary number and arrangement of dislocation lines over a slip plane;…
The core structure of dislocations is critical to their mobility, cross slip, and other plastic behaviors. Atomistic simulation of the core structure is limited by the size of first-principles density functional theory (DFT) calculation and…