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We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…
Wilson's hypothesis of the global electric circuit with the thunderstorms as generators has not been proven up to now. The exact physical mechanism responsible for the generation of fair weather electric field is not clearly understood.…
This article presents a modeling framework for a class of multiphase chemical systems based on non-equilibrium thermodynamics. Compartmental modeling is used to establish the dynamic properties of liquid-vapor systems operating far from…
Biological cells utilize membranes and liquid-like droplets, known as biomolecular condensates, to structure their interior. The interaction of droplets and membranes, despite being involved in several key biological processes, is so far…
Electrogenerated gas nanobubbles strongly influence the performance of electrochemical energy-conversion systems, yet their nucleation and early evolution remain poorly understood due to limitations of existing experimental and…
Cellular Automata are discrete--time dynamical systems on a spatially extended discrete space which provide paradigmatic examples of nonlinear phenomena. Their stochastic generalizations, i.e., Probabilistic Cellular Automata, are discrete…
Development of robust dynamical systems and networks such as autonomous aircraft systems capable of accomplishing complex missions faces challenges due to the dynamically evolving uncertainties coming from model uncertainties, necessity to…
This study presents a dynamic modeling approach for precipitation in electrolyte systems, focusing on the crystallization of an aromatic amine through continuous processes. A novel model, integrating equilibrium and crystallization…
In clouds of suspended particles (grains, droplets, spheres, crystals, etc.), collisions electrify the particles and the clouds, producing large electric potential differences over large scales. This is seen most spectacularly in the…
The motion of a eukaryotic cell presents a variety of interesting and challenging problems from both a modeling and a computational perspective. The processes span many spatial scales (from molecular to tissue) as well as disparate time…
We give a constructive method for realizing an arbitrary directed graph (with no one-cycles) as a heteroclinic or an excitable dynamic network in the phase space of a system of coupled cells of two types. In each case, the system is…
In order to enable simulations of developing wind turbine array boundary layers with highly realistic inflow conditions a concurrent precursor method for Large Eddy Simulations is proposed. In this method we consider two domains…
In this paper we present a method of discrete modeling and analysis of multi-level dynamics of complex large-scale hierarchical dynamic systems subject to external dynamic control mechanism. In a model each state describes parallel dynamics…
The paper considers a model for the solar cell as a mechanical open-cycle thermodynamic engine where the chemical potential is produced in an isochoric process corresponding to the thermalization of electron-hole pairs. Expansion of the…
We study a nonlinear coupled parabolic system with non-local drift terms modeling at the continuum level the inter-species interaction within a ternary mixture that allows the evaporation of one of the species. In the absence of…
Accurate and efficient aeroelastic models are critically important for enabling the optimization and control of highly flexible aerospace structures, which are expected to become pervasive in future transportation and energy systems.…
A new model for the drag coefficient of a sphere in a concentrated system is described. It is based upon a cell-averaged model for the Stokes regime combined with a physically motivated extrapolation to arbitrary Reynolds number. It can be…
Bubbly flows, as present in bubble column reactors, can be simulated using a variety of simulation techniques. In order to gain high resolution CFD methods are used to simulate a pseudo 2D bubble column using EL and EE techniques. The…
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical…