Related papers: A Stable, High-Order Time-Stepping Scheme for the …
Context: Thermal conductivity provides important contributions to the energy evolution of the upper solar atmosphere, behaving as a non-linear concentration-dependent diffusion equation. Recently, different methods have been offered as…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
In this article, we derive a new, fast, and robust preconditioned iterative solution strategy for the all-at-once solution of optimal control problems with time-dependent PDEs as constraints, including the heat equation and the non-steady…
Including the effect of thermal fluctuations in traditional computational fluid dynamics requires developing numerical techniques for solving the stochastic partial differential equations of fluctuating hydrodynamics. These Langevin…
A thermodynamically consistent phase-field model is introduced for simulating multicellular deformation, and aggregation under flow conditions. In particular, a Lennard-Jones type potential is proposed under the phase-field framework for…
A typical graphene heterojunction device can be divided into two classical zones, where the transport is basically diffusive, separated by a "quantum active region" (e.g., a locally gated region), where the charge carriers are scattered…
We propose a variant of the $\theta$-scheme for diffuse interface models for two-phase flow, together with three new linearization techniques for the surface tension. These involve either additional stabilizing force terms, or a fully…
Realistic and interactive scene simulation is a key prerequisite for autonomous vehicle (AV) development. In this work, we present SceneDiffuser, a scene-level diffusion prior designed for traffic simulation. It offers a unified framework…
This paper provides new analytic tools for a rigorous control formulation and stability analysis of sliding mode-multimodel controller (SM-MMC). In this way to minimise the chattering effect we will adopt as a starting point the multimodel…
We present a numerical implementation of radiative transfer based on an explicitly photon-conserving advection scheme, where radiative fluxes over the cell interfaces of a structured or unstructured mesh are calculated with a second-order…
In this paper we develop a class of Implicit-Explicit Runge-Kutta schemes for solving the multi-scale semiconductor Boltzmann equation. The relevant scale which characterizes this kind of problems is the diffusive scaling. This means that,…
In this paper, we present a numerical scheme for the diffuse-interface model in [Abels, Garcke, Gr\"un, M3AS 22(3), 2012] for two-phase flow of immiscible, incompressible fluids. As that model is in particular consistent with…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
On the basis of input-output time-domain data collected from a complex simulator, this paper proposes a constructive methodology to infer a reduced-order linear, bilinear or quadratic time invariant dynamical model reproducing the…
In organic bulk heterojunction solar cells, the donor/acceptor interfacial energy offset ($\Delta E$) is found to provide the driving force for efficient charge separation which gives rise to high short circuit current density…
Real-time time-dependent density functional theory (RT-TDDFT) is known to be hindered by the very small time step (attosecond or smaller) needed in the numerical simulation due to the fast oscillation of electron wavefunctions, which…
In this work, we introduce a novel generative denoising diffusion model for synthesizing the Sun's three-dimensional coronal magnetic field, a complex and dynamic region characterized by evolving magnetic structures. Despite daily…
A computationally efficient model is introduced to account for the sub-grid scale velocities of tracer particles dispersed in statistically homogeneous and isotropic turbulent flows. The model embeds the multi-scale nature of turbulent…
Super-time-stepping (STS) methods provide an attractive approach for enabling explicit time integration of parabolic operators, particularly in large-scale, higher-dimensional kinetic simulations where fully implicit schemes are…
An implicit Euler finite-volume scheme for an $n$-species population cross-diffusion system of Shigesada--Kawasaki--Teramoto-type in a bounded domain with no-flux boundary conditions is proposed and analyzed. The scheme preserves the formal…