相关论文: Rapid multiphase-field model development using a m…
The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase field crystal free…
We present a novel, generalised formulation to treat coupled structural integrity problems by combining phase field and multi-physics modelling. The approach exploits the versatility of the heat transfer equation and is therefore well…
Energy system models have become indispensable tools for planning future energy systems by providing insights into different development trajectories. However, sustainable systems with high shares of renewable energy are characterized by…
We present a model for cell growth, division and packing under soft constraints that arise from the deformability of the cells as well as of a membrane that encloses them. Our treatment falls within the framework of diffuse interface…
The phase field fracture method has emerged as a promising computational tool for modelling a variety of problems including, since recently, hydrogen embrittlement and stress corrosion cracking. In this work, we demonstrate the potential of…
In this work, we present a phase-field model for tumour growth, where a diffuse interface separates a tumour from the surrounding host tissue. In our model, we consider transport processes by an internal, non-solenoidal velocity field. We…
A phase-field model that allows for quantitative simulations of low-speed eutectic and peritectic solidification under typical experimental conditions is developed. Its cornerstone is a smooth free-energy functional, designed so that the…
This article presents a multi-phase-field poromechanics model that simulates the growth and thaw of ice lenses and the resultant frozen heave and thaw settlement in multi-constituent frozen soils. In this model, the growth of segregated ice…
Accurate free energy representations are crucial for understanding phase dynamics in materials. We employ a scale-bridging approach to incorporate atomistic information into our free energy model by training a neural network on DFT-informed…
The phase-field method has been established as a de facto standard for simulating the microstructural evolution of materials. In quantitative modeling the assessment and compilation of thermodynamic/kinetic data is largely dominated by the…
The motion of microstructural interfaces is important in modeling materials that undergo twinning and structural phase transformations. Continuum models fall into two classes: sharp-interface models, where interfaces are singular surfaces;…
We consider a kinetic model of two species of particles interacting with a reservoir at fixed temperature, described by two coupled Vlasov-Fokker-Plank equations. We prove that in the diffusive limit the evolution is described by a…
Interfacial dynamics underlie a wide range of phenomena, including phase transitions, microstructure coarsening, pattern formation, and thin-film growth, and are typically described by stiff, time-dependent nonlinear partial differential…
Fracture mechanics is crucial for many fields of engineering, as precisely predicting failure of structures and parts is required for efficient designs. The simulation of failure processes is, from a mechanical and a numerical point of…
The difficulties in dealing with discontinuities related to a sharp crack are overcome in the phase-field approach for fracture by modeling the crack as a diffusive object being described by a continuous field having high gradients. The…
We derive the phase diagram of the one-dimensional three-state Potts model with an additional mean-field interaction in the canonical ensemble. The free energy is obtained by mapping the model onto the spin-$1$ Blume-Emery-Griffiths model…
Accurate phase diagram calculation from molecular dynamics requires systematic treatment and convergence of statistical averages. In this work we propose a Gaussian process regression based framework for reconstructing the free energy…
We develop a diffuse solid method that is versatile and accurate for modeling wetting and multiphase flows in highly complex geometries. In this scheme, we harness N + 1-component phase field models to investigate interface shapes and flow…
We discuss the ground-state phase diagram of the one-dimensional Bose-Fermi-Hubbard model (BFHM) in the limit of fast fermions based on an effective boson model. We give a detailed derivation of the effective model with long-range RKKY-type…
In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…