Related papers: A conservative and efficient model for grain bound…
Continuum solvation methods can provide an accurate and inexpensive embedding of quantum simulations in liquid or complex dielectric environments. Notwithstanding a long history and manifold applications to isolated systems in open boundary…
A phase-field model is developed to simulate intergranular corrosion of ferritic/martensitic steels exposed to liquid lithium. The chromium concentration of the material is used to track the mass transport within the metal and liquid…
We study the dynamics and morphology of grain growth with anisotropic energy and mobility of grain boundaries using a generalized phase field model. In contrast to previous studies, both inclination and misorientation of the boundaries are…
We study the motion of a grain boundary that separates two sets of mutually perpendicular rolls in Rayleigh-B\'enard convection above onset. The problem is treated either analytically from the corresponding amplitude equations, or…
We study different aspects of integrable boundary quantum field theories, focusing mostly on the ``boundary sine-Gordon model'' and its applications to condensed matter physics. The first part of the review deals with formal problems. We…
Understanding and controlling the properties and dynamics of topological defects is a lasting challenge in the study of two-dimensional materials, and is crucial to achieve high-quality films required for technological applications. Here…
This work reformulates the complete electrode model of electrical impedance tomography in order to enable more efficient numerical solution. The model traditionally assumes constant contact conductances on all electrodes, which leads to a…
A recently developed model that unifies the ballistic and diffusive transport mechanisms is applied in a theoretical study of carrier transport across potential barriers at grain boundaries in microcrystalline semiconducting materials. In…
In this paper we study arbitrarily high-order energy-conserving methods for simulating the dynamics of a charged particle. They are derived and studied within the framework of Line Integral Methods (LIMs), previously used for defining…
The ionic conductivity at the grain boundaries (GBs) in oxide ceramics is typically several orders of magnitude lower than that within the grain interior. This detrimental GB effect is the main bottleneck for designing high-performance…
The Poisson-Nernst-Planck (PNP) system is a standard model for describing ion transport. In many applications, e.g., ions in biological tissues, the presence of thin boundary layers poses both modelling and computational challenges. In a…
We consider equilibrium statistical mechanics of a simplified model for the ideal conductor electrode in an interface contact with a classical semi-infinite electrolyte, modeled by the two-dimensional Coulomb gas of pointlike $\pm$ unit…
Accurately predicting aging of lithium-ion batteries would help to prolong their lifespan, but remains a challenge owing to the complexity and interrelation of different aging mechanisms. As a result, aging prediction often relies on…
The increased deployment of intermittent renewable energy generators opens up opportunities for grid-connected energy storage. Batteries offer significant flexibility but are relatively expensive at present. Battery lifetime is a key factor…
Magnetohydrodynamically induced interface instability in liquid metal batteries is analyzed. The batteries are represented by a simplified system in the form of a rectangular cell, in which strong vertical electric current flows through…
We study the well-posedness theory for the linearized free boundary problem of incompressible ideal magnetohydrodynamics equations in a bounded domain. We express the magnetic field in terms of the velocity field and the deformation tensors…
Physics-based electrochemical battery models derived from porous electrode theory are a very powerful tool for understanding lithium-ion batteries, as well as for improving their design and management. Different model fidelity, and thus…
Grain boundaries are thermodynamically unstable. Hence, their properties should be path-dependent: grain boundaries in nanocrystals prepared using different methods might exhibit different properties. Using molecular dynamics simulations,…
We provide a full realization of the electromagnetic duality at the boundary by extending the phase space of Maxwell's theory through the introduction of edge modes and their conjugate momenta. We show how such extension, which follows from…
We develop a hydrodynamic description of self-generated electrolyte flow in capillaries whose bounding walls feature both non-uniform distributions of charge and non-uniform active ionic fluxes. The hydrodynamic velocity arising in such a…