相关论文: Multiscale modeling of solar cells with interface …
Heterojunction Si solar cells exhibit notable performance degradation. We developed the SolDeg platform to model this degradation as electronic defects getting generated by thermal activation across energy barriers over time. First,…
In this article, we propose a novel scalar-transport model for the simulation of scalar quantities in two-phase flows with a phase-field method (diffuse-interface method). In a two-phase flow, the scalar quantities typically have disparate…
We study energy transport in a system of two dimensional conformal field theories exchanging energy across a non-conformal interface involving a localised scalar operator, using holographic duality. By imposing the sourceless boundary…
We consider a nonlinear drift-diffusion system for multiple charged species in a porous medium in 2D and 3D with periodic microstructure. The system consists of a transport equation for the concentration of the species and Poisson's…
In this work, we present a computational formulation based on continuum mechanics to study the interaction of fluid membranes embedded with semiflexible filaments. This is motivated by systems in membrane biology, such as cytoskeletal…
Understanding the dynamics of phase boundaries in fluids requires quantitative knowledge about the microscale processes at the interface. We consider the sharp-interface motion of compressible two-component flow, and propose a heterogeneous…
Knowledge of the underlying mechanisms of multiphase flow dynamics in porous media is crucial for optimizing subsurface engineering applications like geological carbon sequestration. However, studying the micro-mechanisms of multiphase…
The relationship between the spatiotemporal distribution of oxygen transport and blood flow dynamics, accounting for the motion and deformation of individual red blood cells (RBCs), is of fundamental importance for understanding…
In the past two decades, many research groups worldwide have tried to understand and categorize simple regimes in the charge transfer of such biological systems as DNA. Theoretically speaking, the lack of exact theories for electron-nuclear…
Independent current extraction in multi-junction solar cells has gained attention in recent years because it can deliver higher annual energy yield and can work for more semiconductor material combinations than the more established…
We present an extension of the multiparticle collision dynamics method for flows with complex interfaces, including supramolecular near-contact interactions mimicking the effect of surfactants. The new method is demonstrated for the case of…
Atomic and molecular scattering at semiconductor interfaces plays a central role in surface chemistry and catalysis, yet predictive simulations remain challenging due to strong nonadiabatic effects causing the breakdown of the…
The diffuse interface model of Cahn-Hilliard-van der Waals is often used to study various aspects of multi-phase flows such as droplets coalescence and contact line dynamics. The original model of Cahn-Hilliard-van der Waals uses an…
We extend a two-component model for the evolution of fluctuations in the solar wind plasma so that it is fully three-dimensional (3D) and also coupled self-consistently to the large-scale magnetohydrodynamic (MHD) equations describing the…
Bulk heterojunction (BHJ) organic solar cells have made remarkable inroads towards 20% efficiency, yet nonradiative recombination losses ({\Delta}Vnr) remain high compared to silicon and perovskite photovoltaics. Interfaces buried within…
The occurrence of extremely thin concentration boundary layers at fluid interfaces for high local P\'eclet numbers is a severe obstacle for efficient and accurate numerical simulation of mass transfer processes in two-phase fluid systems.…
The convergence rate of domain decomposition methods (DDMs) strongly depends on the transmission condition at the interfaces between subdomains. Thus, an important aspect in improving the efficiency of such solvers is careful design of…
We assess the capabilities of hydrodynamic density functional theory (DFT) to predict mass transfer across vapor-liquid interfaces by studying the response of an initially equilibrated pure component vapor-liquid system to the localized…
In this article we propose two novel 3D finite element models, denoted method A and B, for electron and hole Drift-Diffusion (DD) current densities. Method A is based on a primal-mixed formulation of the DD model as a function of the…
Energy dispersion and spin orientation of the protected states at interfaces between topological insulators (TIs) and non-topological materials depend on the charge redistribution, strain, and atomic displacement at the interface. Knowledge…