相关论文: Phase Field Modeling of Galvanic Corrosion

We describe the development of a millifluidic based scanning droplet cell platform for rapid and automated corrosion. This system allows for measurement of corrosion properties (e.g., open circuit potential, corrosion current through Tafel…

Electrochemical corrosion significantly reduces the durability of electrodes in water electrolyzers, adversely affecting hydrogen (H$_2$) production and cell efficiency. Current theoretical models inadequately assess corrosion behaviors in…

The activity and stability of a platinum nanoparticle (NP) is not only affected by its size but additionally depends on its shape. To this end, simulations can identify structure-property relationships to make a priori decisions on the most…

In this paper we advance a stiff solution dynamics [SSD] model to study the regulation of local chemistry near a corroding metal by reaction and diffusion processes in the electrolyte. Using this model we compute the detailed space-time…

We develop a fully continuous model for colloidal suspensions with hydrodynamic interactions. The Navier Stokes Phase Field Crystal (NS-PFC) model combines ideas of dynamic density functional theory with particulate flow approaches and is…

In traditional phase-field modeling of multiphase materials, a significant challenge arises from the non-local nature of fracture energy regularization, where interfacial toughness is inherently coupled with the properties of the…

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…

We present and discuss the development of an unconditionally stable algorithm used to solve the evolution equations of the Phase Field Crystal (PFC) model. This algorithm allows for an arbitrarily large algorithmic time step. As the basis…

The description of surface-diffusion controlled dynamics via the phase-field method is less trivial than it appears at first sight. A seemingly straightforward approach from the literature is shown to fail to produce the correct…

A new cohesive phase-field (CPF) interface fracture model is proposed on the basis of the Euler-Lagrange equation of the phase-field theory and the interface fracture energy check w.r.t. that of the cohesive zone model. It employs an…

In this paper we describe a new model for solidification with heat flux using the phase field crystal (PFC) framework. The equations are thermodynamically consistent, in the sense that the time rate of change of the entropy density is…

We present a two-dimensional theoretical model for the slow chemical corrosion of a thin film of a disordered solid by suitable etching solutions. This model explain different experimental results showing that the corrosion stops…

We apply a simple dynamical density functional theory, the phase-field-crystal (PFC) model, to describe homogeneous and heterogeneous crystal nucleation in 2d monodisperse colloidal systems and crystal nucleation in highly compressed Fe…

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…

In this paper, we develop a phase-field model for binary incompressible (quasi-incompressible) fluid with thermocapillary effects, which allows for the different properties (densities, viscosities and heat conductivities) of each component…

Modelling interfacial dynamics with soluble surfactants in a multiphase system is a challenging task. Here, we consider the numerical approximation of a phase-field surfactant model with fluid flow. The nonlinearly coupled model consists of…

The kinetics of an initially undercooled solid-liquid melt is studied by means of a generalized Phase Field model, which describes the dynamics of an ordering non-conserved field phi (e.g. solid-liquid order parameter) coupled to a…

We use the phase-field-crystal (PFC) method to investigate the equilibrium premelting and nonequilibrium shearing behaviors of $[001]$ symmetric tilt grain boundaries (GBs) at high homologous temperature over the complete range of…

Particle-stabilised emulsions are a cornerstone of soft matter science due to their broad application and fundamental relevance. Computer simulations provide key insights into the formation and behaviour of these emulsions, yet current…

We present a two-phase field model and a hybrid particle-phase field model to simulate dilute colloidal sedimentation and flotation near a liquid-gas interface (or fluid-fluid interface in general). Both models are coupled to the…