Related papers: Toward Quantitative Phase-field Modeling of Dendri…
Understanding the atomic structure of magnetite-carboxylic acid interfaces is crucial for tailoring nanocomposites involving this interface. We present a Monte Carlo (MC)-based method utilizing iron oxidation state exchange to model…
Quantum phase transitions from the cluster-charge interaction, which is composed of competing short- and long-range interactions, are investigated on a $\pi$-flux lattice by using the mean-field theory and determinant quantum Monte Carlo…
Continuum models are commonly used to study dendritic deposition in fields ranging from nonequilibrium statistical mechanics to battery research. However, the continuum approximation underlying these models is poorly understood, even in the…
The detailed atomistic modeling of electrochemically deposited metal monolayers is challenging due to the complex structure of the metal-solution interface and the critical effects of surface elec- trification during electrode polarization.…
A coupled cohesive zone model based on an analogy between fracture and contact mechanics is proposed to investigate debonding phenomena at imperfect interfaces due to thermomechanical loading and thermal fields in bodies with cohesive…
Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…
A phase-field model for diffusion-limited crystal growth is formulated that is capable of handling highly anisotropic interfaces. It uses a Willmore regularization that yields corners of finite size. An asymptotic analysis reveals that…
This study is concerned with modeling detrimental deformations of the binder phase within lithium-ion batteries that occur during cell assembly and usage. A two-dimensional poroviscoelastic model for the mechanical behavior of porous…
In order to study the possible phase conjugation of optical near-fields, it is necessary to go beyond the slowly varying envelope- and electric dipole approximations that are normally applied in phase conjugation studies where spatially…
We build a transient multidimensional multiphysical model based on continuum theories, involving the coupled mechanical, thermal and electrochemical phenomena occurring simultaneously in the discharge or charge of lithium-ion batteries. The…
The quantitative phase-field approach has been adapted to model solidification in the presence of Metal Matrix Nanocomposites (MMNCs) in a single-component liquid. Nanoparticles of fixed size and shape are represented by additional fields.…
In this work we present an application of the lambda-phi^4 field theoretical model to the adsorption of atoms and molecules on metallic surfaces - the electrochemical deposition. The usual approach to this system consists in the…
We introduce a group-theoretical extension of the Dicke model which describes an ensemble of two-level atoms interacting with a finite radiation field. The latter is described by a spin model whose main feature is that it possesses a…
A phase field approach is proposed to model the chemotaxis of Dictyostelium discoideum. In this framework, motion is controlled by active forces as determined by the Meinhardt model of chemical dynamics which is used to simulate directional…
The grain envelope model (GEM) describes the growth of envelopes of dendritic crystal grains during solidification. Numerically the growing envelopes are usually tracked using an interface capturing method employing a phase field equation…
The most popular methods for self-consistent simulation of fields interacting with charged species is using finite difference time domain (FDTD) methods together with Newton's laws of motion to evolve locations and velocities of particles.…
The possibility to induce demixing in a colloidal mixture by adding small polymers, or other equivalent depletant agents, is theoretically investigated. By use of Mean Field Theory, suitably generalized to deal with short range effective…
We study a model initially proposed to describe a mixture of (CO) and (N2) adsorbed on exfoliated graphite. The approach used here is that of mean field theory. The Mean Field equations and the Helmholtz Free Energy are found. Phase…
Passivating lithium ion battery electrode surfaces to prevent electrolyte decomposition is critical for battery operations. Recent work on conformal atomic layer deposition (ALD) coating of anodes and cathodes has shown significant…
The response of a model micro-electrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem…