Related papers: Driftfusion: An open source code for simulating or…
Pore-scale simulations accurately describe transport properties of fluids in the subsurface. These simulations enhance our understanding of applications such as assessing hydrogen storage efficiency and forecasting CO$_2$ sequestration…
In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the Discrete Ion Stochastic Continuum Overdamped Solvent (DISCOS) algorithm was derived for triply…
In this study, we develop a steady state and time-dependent exciton diffusion model including singlet and triplet excitons coupled with a modified Poisson and drift-diffusion solver to explain the mechanism of hyper triplet-triplet fusion…
While methods based on density-functional perturbation theory have dramatically improved our understanding of electron-phonon contributions to transport in materials, methods for accurately capturing electron-electron scattering relevant to…
Diffusion models are the standard toolkit for generative modelling of 3D atomic systems. However, for different types of atomic systems -- such as molecules and materials -- the generative processes are usually highly specific to the target…
Simulations of electrochemical double layer capacitors based on porous carbon electrodes, energy storage systems which accumulate and release energy through reversible ion adsorption at electrode/electrolyte interfaces, are often performed…
The motion of interfaces is an essential feature of microstructure evolution in crystalline materials. While atomic-scale descriptions provide mechanistic clarity, continuum descriptions are important for understanding microstructural…
Solid-state ion conductors hold promise as next generation battery materials. To realize their full potential, an understanding of atomic-scale ion conduction mechanisms is needed, including ionic and electronic degrees of freedom.…
Using fully kinetic 3D simulations, the reconnection dynamics of asymmetric current sheets are examined at the Earth's magnetopause. The plasma parameters are selected to model MMS magnetopause diffusion region crossings with guide fields…
The increased model capacity of Diffusion Transformers (DiTs) and the demand for generating higher resolutions of images and videos have led to a significant rise in inference latency, impacting real-time performance adversely. While prior…
We summarize semiclassical modeling methods, including drift-diffusion, kinetic transport equation and Monte Carlo simulation approaches, utilized in studies of spin dynamics and transport in semiconductor structures. As a review of the…
This paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries.…
Particle diffusion in rotating drums is studied via computer simulations using a full 3-D model which does not involve any arbitrary input parameters. The diffusion coefficient for single-component systems agree qualitatively with previous…
Over the past few decades, thin-film optoelectronic devices have shown significant advancements. Light-emitting diodes (LEDs) based on organic materials, polymers, quantum dots, as well as metal halide perovskites have achieved remarkable…
We investigate theoretically and experimentally a first-order dissipative phase transition, with diffusive boundary conditions and the ability to tune the spatial dimension of the system. The considered physical system is a planar…
This paper presents an improved version of the previously proposed self-consistent drift-diffusion-reaction model correcting for non-physical behavior at longer time scales. To this end a novel boundary condition is employed that takes into…
Because the conductivity of organic semiconductors is very low, a useful model for the organic diode consists of treating the organic layer as an insulator, an approximation often referred to as the metal-insulator-metal (MIM) model.…
We develop a new theory for Casimir-Lifshitz and Casimir-Polder interactions with semiconductor surfaces that takes into account charge drift in the bulk material. The corresponding frequency-dependent dispersion relations describe a…
Designing free-form photonic devices is fundamentally challenging due to the vast number of possible geometries and the complex requirements of fabrication constraints. Traditional inverse-design approaches--whether driven by human…
Radiation-induced photocurrent in semiconductor devices can be simulated using complex physics-based models, which are accurate, but computationally expensive. This presents a challenge for implementing device characteristics in high-level…