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An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++…
We present a simulation workflow for efficient investigations of the interplay between 3D lithium-ion electrode microstructures and electrochemical performance, with emphasis on lithium plating. Our approach addresses several challenges.…
In this paper we report on a novel simulation tool designed for the 3D coupled electro-thermal simulation of Smart Power Mosfets, that is a tool capable of taking into account not only the electrical (and thermal) behaviour of the power…
Higher loading of active electrode materials is desired in batteries, especially those based on conversion reactions, for enhanced energy density and cost efficiency. However, increasing active material loading in electrodes can cause…
Hybrid energy storage systems (HESS) have carved a niche in the industry. HESS improve the system efficiency, reduce the overall cost and increase the lifespan of the system. The proton exchange membrane (PEM) fuel cell is hybridized with…
Understanding how interacting particles approach thermal equilibrium is a major challenge of quantum simulators. Unlocking the full potential of such systems toward this goal requires flexible initial state preparation, precise time…
The capabilities of a simulation tool for the in-depth analysis of the thermal impacts on the performances of solar cells are described. TASC-1D (Thermal Analysis of Solar Cells - 1D, version cSi) solves the coupled electrical, radiative…
In renewable power-to-ammonia (ReP2A) systems, the intermittency of wind and solar generation propagates through electrolytic hydrogen production and induces thermal instability in the ammonia synthesis reactor (ASR). The resulting…
Large-scale storage technologies are crucial to balance consumption and intermittent production of renewable energy systems. One of these technologies can be developed by converting the excess energy into compressed air or hydrogen, i.e.,…
This paper studies the design and dynamic modelling of a novel thermal energy storage (TES) system combined with a refrigeration system based on phase change materials (PCM). Cold-energy production supported by TES systems is a very…
The physical mechanisms of periodic separation and relaxation of electric charges within aerosol particles possessing the properties the short-circuited batteries can be extremely diverse. With use of appropriate materials and dispersing…
When a quantum system is subject to a thermal gradient it may sustain a steady non-equilibrium heat current, by entering into a so-called non equilibrium steady state (NESS). Here we show that NESS constitute a thermodynamic resource that…
In recent years, battery technology for electric vehicles (EVs) has been a major focus, with a significant emphasis on developing new battery materials and chemistries. However, accurately predicting key battery parameters, such as…
Estimating the temperature distribution within Li-ion batteries during operation is critical for safety and control purposes. Although existing control-oriented thermal models - such as thermal equivalent circuits (TEC) - are…
As the automotive industry moves towards vehicle electrification, designing and optimizing thermal management systems (TMSs) for Battery Electric Vehicles (BEVs) has become a critical focus in recent years. The dependence of battery…
Thermoelectric (TE) materials can directly convert heat into electrical energy. However, they sustain costly production procedures and batch-to-batch performance variations. Therefore, developing scalable synthetic techniques for…
We investigate the modeling and simulation of ionic transport and charge conservation in lithium-ion batteries (LIBs) at the microscale. It is a multiphysics problem that involves a wide range of time scales. The associated computational…
Rechargeable battery electrodes have highly complex microstructures, consisting of nonuniform electrode particles, tortuous electrolyte channels, and irregular particle-electrolyte interfaces. Moreover, the electrochemical processes involve…
We develop a fully-coupled, fully-implicit approach for phase-field modeling of solidification in metals and alloys. Predictive simulation of solidification in pure metals and metal alloys remains a significant challenge in the field of…
Model predictive control has gained popularity for its ability to satisfy constraints and guarantee robustness for certain classes of systems. However, for systems whose dynamics are characterized by a high state dimension, substantial…