相关论文: Mathematical Model of a pH-gradient Creation at Is…
Molecular dynamics simulation and recent theory are used to examine density correlations in semidilute solutions of highly charged, intrinsically flexible and hydrophilic polyelectrolytes in low salt. Quantitative comparison with no…
The description of complex physical phenomena often involves sophisticated models that rely on a large number of parameters, with many dimensions and scales. One practical way to simplify that kind of models is to discard some of the…
The so-called Froehlich entropy is the entropy variation of a material under the application of an electric field. This quantity can be calculated, under suitable hypotheses, directly from the measured real part of the dielectric function.…
Equilibrium contact angle of liquid drops over horizontal surfaces has been modeled using Smoothed Particle Hydrodynamics (SPH). The model is capable of accurate implementation of contact angles to stationary and moving contact lines. In…
Motivated by important applications in image processing, we study a class of second-order geometric quasilinear hyperbolic partial differential equations (PDEs). This is inspired by the recent development of second-order damping systems…
The paper presents a detailed review of the smooth particle hydrodynamics (SPH) method with particular focus on its astrophysical applications. We start by introducing the basic ideas and concepts and thereby outline all ingredients that…
A two-dimensional fluid model is used to investigate the electron heating dynamics and the production of neutral species in a capacitively coupled radio-frequency micro atmospheric pressure helium plasma jet -- specifically the COST jet --…
The study of the modification of interfacial properties between an organic solvent and aqueous electrolyte solutions is presented by using electrostatic Dissipative Particle Dynamics (DPD) simulations. In this article the parametrization…
Analytical and semi-analytical models for stream depletion with transient stream stage drawdown induced by groundwater pumping are developed to address a deficiency in existing models, namely, the use of a fixed stream stage condition at…
Electric field-assisted chemistry has attracted much attention in recent years, particularly in the context of oriented external electric fields for controlling molecular structure and reactivity. Such fields have been explored in a wide…
In this work, we investigate the use of data-driven equation discovery for dynamical systems to model and forecast continuous-time dynamics of unconstrained optimization problems. To avoid expensive evaluations of the objective function and…
Many equations that model fluid behaviour are derived from systems that encompass multiple physical forces. When the equations are written in non dimensional form appropriate to the physics of the situation, the resulting partial…
The photochemical acid generation is refined from the first principles of quantum electrodynamics. First, we briefly review the formulation of the quantum theory of light based on the quantum electrodynamics framework to establish the…
We develop a mathematical model for dynamic simulation of an alkaline electrolyzer plant. The plant includes the stack, a water recirculation system and hydrogen storage with compressor. We model each component of the system with mass and…
Motivated by the consistent histories approach to quantum mechanics, we examine a simple model of hydrodynamic coarse-graining for a scalar field. It consists in averaging the field over spatial regions of size L and constructing the…
Generation of mechanical force regulated by external electric field is studied both theoretically and by molecular dynamics (MD) simulations. The force arises in deformable bodies linked to the free end of a grafted polyelectrolyte chain…
This paper presents a stable finite element approximation for the acoustic wave equation on second-order form, with perfectly matched layers (PML) at the boundaries. Energy estimates are derived for varying PML damping for both the discrete…
The goal of this work is to propose a simple continuous model that captures the dielectric properties of water at the nanometric scale. We write an electrostatic energy as a functional of the polarisation field containing a term in $P^4$…
Biomolecular condensates are formed via liquid-liquid phase separation of proteins, often together with nucleic acids, typically driven by interactions between low-affinity binding sites. The computational study of such condensates that…
Using one-dimensional simulations analyzed through the lens of open quantum systems, we study the photoelectron's strong-field dynamics from an atom surrounded by a scattering environment stochastically structured. We theoretically…