Related papers: An improved grand-potential phase-field model of s…
The phase field approach to modeling fracture uses a diffuse damage field to represent a crack. This addresses the singularities that arise at the crack tip in computations with sharp interface models, mollifying some of the difficulties…
A modified phase field crystal model in which the free energy may be minimised by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where…
Based on a plausible requirement for the ground state density, we introduce a novel one-dimensional (1D) atomic model potential for the 1D simulation of the quantum dynamics of a single active electron atom driven by a strong, linearly…
The present work addresses the simulation of pore emptying during the drying of battery electrodes. For this purpose, a model based on the multiphase-field method (MPF) is used, since it is an established approach for modeling and…
This work deals with numerical simulation of water freezing and thawing in a complex three-dimensional geometry of a porous medium. The porous structure is represented by a virtual container filled with glass beads. Phase transition…
Residual stress and plastic strain in additive manufactured materials can exhibit significant microscopic variation at the powder scale, profoundly influencing the overall properties of printed components. This variation depends on…
We develop a phase-field model for evaporation from a porous medium by explicitly considering a vapor component together with the liquid and gas phases in the system. The phase-field model consists of the conservation of mass (for phases…
In this mini-review we summarize the progress of modeling, simulation and analysis of shock responses of heterogeneous materials in our group in recent years. The basic methodology is as below. We first decompose the problem into different…
In this paper we report on 2D numerical simulations concerning linear and nonlinear evolution of surface-tension-driven instability in two-fluid systems heated from below using classical and phase-field models. In the phase-field formalism,…
Micrometre sized colloidal particles can be viewed as large atoms with tailorable size, shape and interactions. These building blocks can assemble into extremely rich structures and phases, in which the thermal motions of particles can be…
The nucleation and propagation of disconnections play an essential role during twin growth. Atomistic methods can reveal such small structural features on twin facets and model their motion, yet are limited by the simulation length and time…
An electro-chemo-mechanical phase-field formulation is developed to simulate pitting and stress corrosion in polycrystalline materials. The formulation incorporates dependencies of mechanical properties and corrosion potential on…
The trade-off between accuracy and computational cost as a function of the size and number of simulation boxes was studied for large-scale phase-field simulations. For this purpose, a reference simulation box was incrementally partitioned.…
A basic challenge in experimental physics is the extraction of information related to variables that are not directly measured. The challenge is particularly severe in quantum systems where one may be interested in correlations of operators…
Dephasing is the loss of phase coherence due to the interaction of an electron with the environment. The most common approach to model dephasing in light-matter interaction is the relaxation time approximation. Surprisingly, its use in…
We further develop a recently introduced phase-field model of rapid alloy solidification [Ji et al., PRL 2023]. This model utilizes enhanced solute diffusivity within the spatially diffuse interface region to quantitatively capture solute…
Triplet down conversion, the process of converting one high-energy photon into three low-energy photons, may soon be experimentally feasible due to advances in optical resonator technology. We use quantum phase-space techniques to analyse…
The phase structure of QCD remains an open fundamental problem of standard model physics. In particular at finite density, our knowledge is limited. Yet, numerous model studies point towards a rich and complex phase diagram at large…
Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various electrochemical processes. In this work, we propose a general phase field framework that is fully variational and thus…
The structural and dynamical properties of ultra-soft colloids - star polymers - exposed to a uniform external force field are analyzed applying the multiparticle collision dynamics approach, a hybrid coarse-grain mesoscale simulation…