Related papers: A 3D phase field dislocation dynamics model for bo…
Dipolar dislocation loops, prevalent in fcc metals, are widely recognized as controlling many physical aspects of plastic deformation. We present results of 3D dislocation dynamics simulations that shed light on the mechanisms of their…
The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…
In this Thesis we first show how the shape of the Peierls barrier and its dependence on the applied loading can be extracted from the data obtained in atomistic studies at 0 K. We consider the Peierls barrier as a two-dimensional periodic…
Dislocations, line defects in crystalline materials, play an essential role in the mechanical[1,2], electrical[3], optical[4], thermal[5], and phase transition[6] properties of these materials. Dislocation motion, an important mechanism…
In body-centred-cubic (bcc) metals migrating 1/2<111> screw dislocations experience a periodic energy landscape with a triangular symmetry. Atomistic simulations, such as those performed using the nudged-elastic-band (NEB) method, generally…
A nonlocal phase-field crystal (NPFC) model is presented as a nonlocal counterpart of the local phase-field crystal (LPFC) model and a special case of the structural PFC (XPFC) derived from classical field theory for crystal growth and…
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…
It has been shown in experiments that self-climb of prismatic dislocation loops by pipe diffusion plays important roles in their dynamical behaviors, e.g., coarsening of prismatic loops upon annealing, as well as the physical and mechanical…
Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…
We present a general formalism for incorporating dislocations in Phase Field methods. This formalism is based on the elastic equivalence between a dislocation loop and a platelet inclusion of specific stress-free strain related to the loop…
Effects of three-point direct correlation on properties of the phase field crystal (PFC) modeling are examined, for the control of various ordered and disordered phases and their coexistence in both three-dimensional and two-dimensional…
We present a phase field model (PFM) for simulating complex crack patterns including crack propagation, branching and coalescence in rock. The phase field model is implemented in COMSOL and is based on the strain decomposition for the…
We report results of large-scale molecular-dynamics (MD) simulations of dynamic deformation under biaxial tensile strain of pre-strained single-crystalline nanometer-scale-thick face-centered cubic (fcc) copper films. Our results show that…
A novel model based on the Peierls framework of dislocations is developed. The new theory can deal with a dislocation spreading at more than one slip planes. As an example, we study dislocation cross-slip and constriction process of two fcc…
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…
Dislocation-density-based crystal plasticity (CP) models are introduced to account for the microstructural changes throughout the deformation process, enabling more quantitative predictions of the deformation process compared to slip-system…
We introduce a framework for model reduction of chain models for dissipative particle dynamics (DPD) simulations, where the characteristic size of the chain, pressure, density, and temperature are preserved. The proposed methodology reduces…
The phase-field crystal model (PFC) describes crystal structures at diffusive timescales through a periodic order parameter representing the atomic density. One of its main features is that it naturally incorporates elastic and plastic…
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…
The dynamics of phase field crystal (PFC) modeling is derived from dynamical density functional theory (DDFT), for both single-component and binary systems. The derivation is based on a truncation up to the three-point direct correlation…