相关论文: Multiscale modeling of solar cells with interface …

We present and discuss a mathematical model for the operation of bilayer organic photovoltaic devices. Our model couples drift-diffusion-recombination equations for the charge carriers (specifically, electrons and holes) with a…

Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determining the interfacial energy for the semicoherent interface with…

A new phase field model is introduced, which can be viewed as nontrivial generalisation of what is known as the Caginalp model. It involves in particular nonlinear diffusion terms. By formal asymptotic analysis, it is shown that in the…

We investigate a reaction-diffusion problem in a two-component porous medium with a nonlinear interface condition between the different components. One component is connected and the other one is disconnected. The ratio between the…

Continuum solvent models have become a standard technique in the context of electronic structure calculations, yet, no implementations have been reported capable to perform molecular dynamics at solid-liquid interfaces. We propose here such…

We present a thermodynamic theory of plane coherent solid-solid interfaces in multicomponent systems subject to nonhydrostatic mechanical stresses. The interstitial and substitutional chemical components are treated separately using…

Electro-thermal transport phenomena in semiconductors are described by the non-isothermal drift-diffusion system. The equations take a remarkably simple form when assuming the Kelvin formula for the thermopower. We present a novel,…

In a recent paper, Street et al. [Phys. Rev. B 81, 205307 (2010)] propose first order recombination due to interface states to be the dominant loss mechanism in organic bulk heterojunction solar cells, based on steady-state current--voltage…

In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…

We minimized the interface diffuseness in the phase-field models by introducing the parabolic double-well potential and localizing the solute redistribution (or latent heat release) into a narrow region within the phase-field interface. In…

The paper addresses a two-temperature model for simulating compressible two-phase flow taking into account diffusion processes related to the heat conduction and viscosity of the phases. This model is reduced from the two-phase…

We formally derive interface conditions for modeling fractures in Darcy flow problems and, more generally, thin inclusions in heterogeneous diffusion problems expressed as the divergence of a flux. Through a formal integration of the…

Drift-diffusion model is an indispensable modeling tool to understand the carrier dynamics (transport, recombination, and collection) and simulate practical-efficiency of solar cells (SCs) through taking into account various carrier…

Large-scale plasma flows in the Sun's convection zone likely play a major role in solar dynamics on decadal timescales. In particular, quantifying meridional motions is a critical ingredient for understanding the solar cycle and the…

Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of…

We introduce a model for describing the dynamics of large numbers of interacting cells. The fundamental dynamical variables in the model are sub-cellular elements, which interact with each other through phenomenological intra- and…

In the present article we study diffuse interface models for two-phase biomembranes. We will do so by starting off with a diffuse interface model on $\mathbb{R}^n$ defined by two coupled phase fields $u,v$. The first phase field $u$ is the…

Three-dimensional double-diffusive convection in a horizontally infinite layer of an uncompressible fluid interacting with horizontal vorticity field is considered in the neighborhood of Hopf bifurcation points. A family of amplitude…

Discontinuity of dielectric constants at the interface is a common feature of all nanostructures and semiconductor heterostructures. Near such interfaces, a charged particle creates a singular self-interaction potential which may be…

Interface migration in microstructures is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propose a continuum model for arbitrarily-curved grain boundaries or heterophase interfaces…