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The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
Although it is widely accepted that photospheric motions provide the energy source and that the magnetic field must play a key role in the process, the detailed mechanisms responsible for heating the Sun's corona and accelerating the solar…
The quality of today's research is often tightly limited to the available computing power and scalability of codes to many processors. For example, tackling the problem of heating the solar corona requires a most realistic description of…
In this work, we study the implementation of electrically-driven flow (EDF) models in the finite-volume framework of $\text{OpenFOAM}^\circledR$. The Poisson-Nernst-Planck model is used for the transport of charged species and it is coupled…
Starting with a microscopic (individual-based) Brownian dynamics model of charged particles (ions), its macroscopic description is derived as a system of partial differential equations that govern the evolution of ion concentrations in…
Understanding event-by-event correlations and fluctuations is crucial for the comprehension of the dynamics of heavy ion collisions. Relativistic hydrodynamics is an elegant tool for modeling these phenomena; however, such simulations are…
Remote observations of coronal holes have strongly implicated the kinetic interactions of ion-cyclotron waves with ions as a principal mechanism for plasma heating and acceleration of the fast solar wind. In order to study these waves, a…
This letter proposes a data-driven sparse polynomial chaos expansion-based surrogate model for the stochastic economic dispatch problem considering uncertainty from wind power. The proposed method can provide accurate estimations for the…
The calculation of caloric properties such as heat capacity, Joule-Thomson coefficients and the speed of sound by classical force-field-based molecular simulation methodology has received scant attention in the literature, particularly for…
We first present how to do a computer simulation of Charge Density Waves using a driven harmonic oscillator model by a numerical scheme as initially formulated by Littlewood, and then afterwards use this to present how the dielectric model…
This review aims at providing an up-to-date status and a general introduction to the subject of the numerical study of energetic particle acceleration and transport in turbulent astrophysical flows. The subject is also complemented by a…
The primary target of this paper is to present novel compounds in view of their possible use as oxidizers in propulsion applications using molecular modeling calculations and supersonic flow simulations. Carbon-based heterocyclic compounds…
We develop the theory of hydrodynamics of an isotropic Fermi liquid of electrons coupled to isotropic acoustic phonons, assuming that umklapp processes may be neglected. At low temperatures, the fluid is approximately Galilean invariant; at…
The asymmetrically mounted flat plasma actuator is studied using a self-consistent 2-DIM fluid model at atmospheric pressure. The computational model use the drift-diffusion approximation and a simple plasma phenomenological kinetic model.…
Thus far, Computational Fluid Dynamics (CFD) simulations fail to reliably predict the electrostatic charging of powder during pneumatic conveying. The lack of a predictive tool is one reason for unwanted discharges and growing deposits that…
This study investigates the spatio-temporal evolution of the electric field during the early stages of a nanosecond positive corona discharge in atmospheric-pressure air by combining time-resolved E-FISH measurements,…
We present a model for electron injection from thermal reservoirs which is applied to particle simulations of one-dimensional mesoscopic conductors. The statistics of injected carriers is correctly described from nondegenerate to completely…
This work proposes a new variational, thermodynamically consistent model to predict thermal electrokinetics in electric double layer capacitors (EDLCs) by using an energetic variational approach. The least action principle and maximum…
Proton transport property is studied by modelling the intermolecular pair correlation functions of the proton ion with the electrode and the electrolyte of a polymer electrolyte fuel cell (PEMFC) by using Materials-Studio and then applying…
In this work we present, for the first time, a computational fluid dynamics tool for the simulation of the metered discharge in a pressurized metered dose inhaler. The model, based on open-source software, adopts the Volume-Of-Fluid method…