Related papers: A computationally efficient and mechanically compa…
The modeling of solid-state transformations, such as polymorphic transitions and chemical reactions in molecular crystals, is vital for many applications including drug design or the development of new synthesis methods. However, a…
The $\xi$-based spatially adaptive three-field variable phase-field model for quasi-static anti-plane crack propagation is introduced. A dynamically optimized regularization length is integrated to improve computational efficiency and…
We optimize a numerical time-stabilization routine for the phase-field crystal (PFC) models of solidification. By numerical experiments, we showcase that our approach can improve the accuracy of underlying time integration schemes by a few…
An effective-field method for caculation of thermodynamic properties of three-dimensional lattice spin models is developed. It is applied to the ANNNI model on the simple cubic lattice. The phase diagram of the model, consisting of a large…
Multiphase systems are ubiquitous in engineering, biology, and materials science, where understanding their complex interactions and rheological behavior is crucial for advancing applications ranging from emulsion stability to cellular…
We present a simulation workflow for efficient investigations of the interplay between 3D lithium-ion electrode microstructures and electrochemical performance, with emphasis on lithium plating. Our approach addresses several challenges.…
We develop and analyse the first second-order phase-field model to combine melting and dissolution in multi-component flows. This provides a simple and accurate way to simulate challenging phase-change problems in existing codes.…
Three different topics in phase-field modelling of solidification are discussed, with particular emphasis on the limitations of the currently available modelling approaches. First, thin-interface limits of two-sided phase-field models are…
Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to…
Using a regularized delta function to distribute surfactant interfacial concentration can simplify the computation of the surface gradient operator $\nabla_s$, enabling the phase-field model to effectively simulate Marangoni flows involving…
The classical phase-field modeling approaches for multiphase problems represent each phase using a regularized characteristic function, which necessarily introduces a simplex constraint for the phase-field variables. Additionally, the…
Fatigue fracture is one of the main causes of failure in structures. However, the simulation of fatigue crack growth is computationally demanding due to the large number of load cycles involved. Metals in the low cycle fatigue range often…
We model the flow behaviour of dense melts of flexible and semiflexible ring polymers in the presence of walls using a hybrid multiscale approach. Specifically, we perform molecular dynamics simulations and apply the Irving-Kirkwood formula…
In this contribution, a novel framework for simulating mixed-mode failure in rock is presented. Based on a hybrid phase-field model for mixed-mode fracture, separate phase-field variables are introduced for tensile (mode I) and shear (mode…
The phase-field crystal model is by now widely used in order to predict crystal nucleation and growth. For colloidal solidification with completely overdamped individual particle motion, we show that the phase-field crystal dynamics can be…
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 solidification and macro-segregation problem involving unsteady multi-physics and multi-phase fields is typically a complex process with mass, momentum, heat, and species transfers among solid, mushy, and liquid phase regions. The…
We investigate a phase-field-crystal model for homogeneous nucleation. Instead of solving the time evolution of a density field towards equilibrium we use a String Method to identify saddle points in phase space. The saddle points allow to…
A phase-field description of brittle fracture is employed in the reported four-point bending analyses of monolithic and laminated glass plates. Our aims are: (i) to compare different phase-field fracture formulations applied to thin glass…
This work begins by applying peridynamics and phase-field modeling to predict 1-d interface motion with inertia in an elastic solid with a non-monotone stress-strain response. In classical nonlinear elasticity, it is known that subsonic…