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Reinforcement learning (RL) can be used to tune data-driven (economic) nonlinear model predictive controllers ((e)NMPCs) for optimal performance in a specific control task by optimizing the dynamic model or parameters in the policy's…
It is a universal phenomenon that the state and input of the continuous stirred tank reactor (CSTR) systems are both disturbed. This paper proposes a (state, input)-disturbed port-Hamiltonian framework that can be used to model and further…
In our previous work, we developed a CCSD(T)-level range-separated water force field that combines the power of physics-driven and machine learning models. However, it was found that expensive CCSD(T)/CBS calculations lead to limited number…
The increasing need for energy storage solutions to balance variable renewable energy sources has highlighted the potential of Pumped Thermal Electricity Storage (PTES). In this paper, we investigate the trade-offs between model accuracy…
The Cellular Potts Model (CPM) succesfully simulates drainage and shear in foams. Here we use the CPM to investigate instabilities due to the flow of a single large bubble in a dry, monodisperse two-dimensional flowing foam. As in…
A Proton Exchange Membrane Fuel Cell (PEMFC) provides stable, emission-free, high-efficiency power. Water management and durability of PEMFCs are directly affected by transport phenomena at the cathode side. In the present study, transport…
The use of ring polymer molecular dynamics (RPMD) for the direct simulation of electron transfer (ET) reaction dynamics is analyzed in the context of Marcus theory, semiclassical instanton theory, and exact quantum dynamics approaches. For…
In this paper, we employ a bi-level control system to react to disturbances and balance power mismatch by coordinating distributed energy resources (DERs) under packetized energy management. Packetized energy management (PEM) is a novel…
A parallel plate capacitor containing an electrolytic solution is the simplest model of a supercapacitor, or electric double layer capacitor. Using both analytical and numerical techniques, we solve the Poisson-Nernst-Planck equations for…
The induction of dc electronic transport in rigid and flexible trans-polyacetylene oligomers according to the $\omega$ vs. $2\omega$ coherent control scenario is investigated using a quantum-classical mean field approximation. The approach…
A cellular non-linear network (CNN) is a uniform regular array of locally connected continuous-state machines, or nodes, which update their states simultaneously in discrete time. A microbial fuel cell (MFC) is an electro-chemical reactor…
A major challenge in the molecular simulation of electric double layer capacitors (EDLCs) is the choice of an appropriate model for the electrode. Typically, in such simulations the electrode surface is modeled using a uniform fixed charge…
This paper explores the synergies between integrated power and thermal management (iPTM) and battery charging in an electric vehicle (EV). A multi-objective model predictive control (MPC) framework is developed to optimize the fast charging…
The response of water to electric fields is critical to the performance and stability of electrochemical devices, and the selectivity of enzymatic, atmospheric, and organic reactions. A key process in this context is the water…
Energy management strategies (EMSs) are the most significant components in hybrid electric vehicles (HEVs) because they decide the potential of energy conservation and emission reduction. This work presents a transferred EMS for a parallel…
Correlating the microstructure of an energy conversion device to its performance is often a complex exercise, notably in solid oxide fuel cell (SOFC) research. SOFCs combine multiple materials and interfaces that evolve in time due to high…
The generation of energetic electrons in laser fusion in an important issue. The electrons may either arise from a laser plasma instability, or from the uncoupled high temperature tail of a Maxwellian distribution. To study these in a laser…
Microbial fuel cells implemented in constructed wetlands (CW-MFCs), albeit a relatively new technology still under study, have shown to improve treatment efficiency of urban wastewater. So far the vast majority of CW-MFC systems…
We study a continuum model of overdamped self-propelled particles with an aligning interaction in two dimensions. By combining analytical and numerical work, we map out the phase diagram for generic parameters. We find that the system…
An unconfined strongly swirled flow is investigated for different Reynolds numbers using particle image velocimetry (PIV) and Large Eddy Simulation (LES) with a Thickened Flame (TF) model. Both reacting and non-reacting flow results are…