Related papers: Phase Field Crystal Modeling as a Unified Atomisti…
Nickel-based superalloys play a major role in many technologically relevant high temperature applications. Understanding and predicting the evolution of the phase microstructure during high temperature creep together with the evolution of…
This paper presents an overview of the theories and computer implementation aspects of phase field models (PFM) of fracture. The advantage of PFM over discontinuous approaches to fracture is that PFM can elegantly simulate complicated…
We introduce a field theoretic formalism enabling the direct study of dislocation and interstitial dynamics. Explicit expressions for the energies of such defects are given. We provide links to earlier numerical, discrete elastic, time…
The stress-driven motion of dislocations in crystalline solids, and thus the ensuing plastic deformation process, is greatly influenced by the presence or absence of various point-like defects such as precipitates or solute atoms. These…
Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport…
The BCF theory of crystal growth has been successful in describing a wide range of phenomena in surface physics. Typical crystal surfaces are slightly misoriented with respect to a facet plane; thus, the BCF theory views such systems as…
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 internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…
Phase transformations and crystallographic defects are two essential tools to drive innovations in materials. Bulk materials design via tuning chemical compositions has been systematized using phase diagrams. We show here that the same…
We present a generalised phase field-based formulation for predicting fatigue crack growth in metals. The theoretical framework aims at covering a wide range of material behaviour. Different fatigue degradation functions are considered and…
The plastic deformation of a quasicrystal (QC) is ruled by singularities of its 'phonon' strain field and of its 'phason' strain field. In the framework of the topological theory of defects, and the QC being defined as an irrational subset…
Step meandering instability in a Burton-Cabrera-Frank (BCF)-type model for the growth of an isolated, atomically high step on a crystal surface is analyzed. It is assumed that the growth is sustained by the molecular precursors deposition…
We show that a microscopic definition of crystal defect, based on the effective mean single-particle potential energy, makes it possible to detect and visualize various types of local and extended crystal defects and develop an effective…
Plasticity of metals is the emergent phenomenon of many crystal defects (dislocations) which interact and move on microscopic time and length scales. Two of the commonly used models to describe such dislocation dynamics are the…
We study the formation of topological defects in nonequilibrium phase transitions of both classical and quantum field theory. We examine three model systems. 1). The phase transition of a quantum scalar field in a FRW universe is analyzed…
Crystallization of supersaturated liquids usually starts by heterogeneous nucleation. Mounting evidence shows that even homogeneous nucleation in simple liquids takes place in two steps; first a dense amorphous precursor forms, and the…
Amorphization during severe plastic deformation has been observed in various crystalline materials, yet its underlying mechanisms remain poorly understood. This study introduces a novel phase-field model at the mesoscale, integrating…
We introduce a phenomenological continuum model for mode III dynamic fracture that is based on the phase-field methodology used extensively to model interfacial pattern formation. We couple a scalar field, which distinguishes between…
In order to predict the long-term effects of irradiation on the material properties of tungsten, a continuum approach to simulating the interactions of dislocation loops, which arise from radiation damage, is proposed. Continuum models of…
Until now, most of our knowledge about the universality class of crystal plasticity has come from simulations using discrete dislocation dynamics. These are force-controlled, typically at zero temperature, and deal with the creation and…