Related papers: A Maxwell-Amp\`{e}re Nernst-Planck Framework for M…
This paper investigates the water network's potential ability to provide demand response services to the power grid under the framework of a distribution-level water-energy nexus (micro-WEN). In particular, the hidden controllability of…
In this article, we design Asymptotic-Preserving Particle-In-Cell methods for the Vlasov-Maxwell system in the quasi-neutral limit, this limit being characterized by a Debye length negligible compared to the space scale of the problem.…
We investigate the phenomenon of counterion condensation in a solution of highly charged rigid polyelectrolytes within the cell model. A method is proposed which -- based on the charge distribution function -- identifies both the fraction…
The rapid development of optical technologies and applications revealed the critical role of point defects affecting device performance. One of the powerful tools to study influence of defects on charge capture and recombination processes…
We present a model for electron-ion transport in Warm Dense Matter that incorporates Coulomb coupling effects into the quantum Boltzmann equation of Uehling and Uhlenbeck through the use of a statistical potential of mean force. Although…
A phenomenological kinetic energy theory of buoyant multiphase plumes is constructed, being general enough to incorporate the dissolution of the dispersive phase. We consider an axisymmetric plume, and model the dissolution by means of the…
We experimentally reconstruct Wigner's current of quantum phase space dynamics for the first time. We reveal the ``push-and-pull" associated with damping and diffusion due to the coupling of a squeezed vacuum state to its environment. In…
In ionic solutions, there are multi-species charged particles (ions) with different properties like mass, charge etc. Macroscopic continuum models like the Poisson-Nernst-Planck (PNP) systems have been extensively used to describe the…
We present design and implementation of a novel neural network potential (NNP) and its combination with an electrostatic embedding scheme, commonly used within the context of hybrid quantum-mechanical/molecular-mechanical (QM/MM)…
Finite element modeling of charged species transport has enabled analysis, design, and optimization of a diverse array of electrochemical and electrokinetic devices. These systems are represented by the Poisson-Nernst-Planck equations…
We describe a method to simulate the dynamics of charged colloidal particles suspended in a liquid containing dissociated ions and salt ions. Regimes of prime current interest are those of large volume fraction of colloids, highly charged…
In this work we consider a relativistic drift-kinetic model for runaway electrons along with a Fokker-Planck operator for small-angle Coulomb collisions, a radiation damping operator, and a secondary knock-on (Boltzmann) collision source.…
Based on a Debye-Hueckel approach to the one-component plasma we propose a new free energy for incorporating ionic correlations into Poisson-Boltzmann like theories. Its derivation employs the exclusion of the charged background in the…
The conditions for the existence of negative-energy perturbations (which could be nonlinearly unstable and cause anomalous transport) are investigated in the framework of linearized collisionless Maxwell-drift kinetic theory for the case of…
This paper presents a novel methodology for the direct numerical modeling and simulation of turbulent flows. The kinetic model equation is firstly extended to turbulent flow with the account of coupled evolution of kinetic, thermal, and…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
Maximum Caliber (Max Cal) is purported to be a general variational principle for Non-Equilibrium Statistical Physics (NESP). But recently, Jack and Evans and Maes have raised concerns about how Max Cal handles dissipative processes. Here,…
In this work, we carry out a study of the conserved quantities and dynamical structure of the four-dimensional modified axion electrodynamics theory described by the axion-photon coupling. In the first part of the analysis, we employ the…
Models of quantum disentanglement are developed for nanometer-scale molecular charge qubits (MCQs). Two MCQs, $A$ and $B$, are prepared in a Bell state and separated for negligible $A$-$B$ interactions. Interactions between the local…
The nudged elastic band (NEB) and Dimer methods are standard tools for computing minimum-energy paths and index-one saddle points in atomistic transition problems. They are increasingly driven by surrogate or learned force models, whose…