Related papers: Steady State Multiplicity in a Polymer Electrolyte…
We develop a model for a driven cell- or artificial membrane in an electrolyte. The system is kept far from equilibrium by the application of a DC electric field or by concentration gradients, which causes ions to flow through specific…
As programs to support efficient and sustainable energy sources are expanding, research into the potential applications of the hydrogen vector is accelerating. Proton exchange membrane fuel cells are electrochemical converters that…
Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…
Mobile robots are often needed for long duration missions. These include search and rescue, sentry, repair, surveillance and entertainment. Current power supply technology limit walking and climbing robots from many such missions. Internal…
The role of catalyst stability on the adverse effects of hydrogen peroxide (H2O2) formation rates in a proton exchange membrane fuel cell (PEMFC) is investigated for Pt, Pt binary (PtX, X = Co, Ru, Rh, V, Ni) and ternary (PtCoX, X = Ir, Rh)…
A quantum model on the chemically and physically induced pluripotency in stem cells is proposed. Based on the conformational Hamiltonian and the idea of slow variables (molecular torsions) slaving fast ones the conversion from the…
A nematic liquid-crystal cell subject to an electric field created by electrodes held at constant potential is modeled as a variable capacitor in an RC circuit. The state of the system is characterized in terms of the director field in the…
The multi-source electromechanical coupling makes the energy management of fuel cell electric vehicles (FCEVs) relatively nonlinear and complex especially in the types of 4-wheel-drive (4WD) FCEVs. Accurate state observing for complicated…
Energy functions for pure and heterogenous systems are one of the backbones for molecular simulation of condensed phase systems. With the advent of machine learned potential energy surfaces (ML-PESs) a new era has started. Statistical…
An emerging approach for large-scale renewable hydrogen production is integrating multiple alkaline water electrolysis (AWE) stacks into one balance-of-plant (BoP) system, sharing gas-lye separation and lye circulation components. While…
The three-equation model (TEM) was developed in the 1980s to model turbidity currents (TCs) and has been widely used ever since. However, its physical justification was questioned because self-accelerating TCs simulated with the steady TEM…
The hybridization process has recently touched also the world of agricultural vehicles. Within this context, we develop an Energy Management Strategy (EMS) aiming at optimizing fuel consumption, while maintaining the battery state of…
This paper proposes a computationally efficient simulation strategy for cold thermal energy storage (TES) systems based on phase change material (PCM). Taking as a starting point the recent design of a TES system based on PCM, designed to…
A one-dimensional multi-phase flow model for thermomagnetically pumped ferrofluid with heat transfer is proposed. The thermodynamic model is a combination of a simplified particle model and thermodynamic equations of state for the base…
This work expands on our recently introduced low Mach enthalpy method [1] for simulating the melting and solidification of a phase change material (PCM) alongside (or without) an ambient gas phase. The method captures PCM's volume change…
Solution self-assembly of amphiphilic block copolymers (BCs) is typically performed by a solvent-to-water exchange. However, BC assemblies are often trapped in metastable states depending on the mixing conditions such as the magnitude and…
Here we study a pumping device capable of maintaining a density gradient and a flux of particles across a membrane. Its driving mechanism is based on the flashing ratchet effect powered by the random telegraph process in the presence of…
An equivalence between non equilibrium steady states (NESS) driven by a time-independent force and stochastic pumps (SP) stirred by a time-varying conservative force is studied for general many-body diffusive systems. When the particle…
This paper is concerned with the analysis of effective thermomechanical properties of multi- layered materials of interest for solid oxide fuel cells (SOFC) and lithium ions batteries fabrication. The recently developed asymptotic…
We present a plane-wave basis set implementation of charge constrained density functional molecular dynamics (CDFT-MD) for simulation of electron transfer reactions in condensed phase systems. Following earlier work of Wu et al. Phys. Rev.…