相关论文: Chemical Reaction Neural Networks for Fitting Acce…

Thermal runaway in lithium-ion batteries is a critical safety concern for the battery industry due to its potential to cause uncontrolled temperature rises and subsequent fires that can engulf the battery pack and its surroundings. Modeling…

Thermal runaway in lithium-ion batteries is strongly influenced by the state of charge (SOC). Existing predictive models typically infer scalar kinetic parameters at a full SOC or a few discrete SOC levels, preventing them from capturing…

Chemical Reaction Neural Networks (CRNNs) have emerged as an interpretable machine learning framework for discovering reaction kinetics directly from data, while strictly adhering to the Arrhenius and mass action laws. However, standard…

We derive the nonequilibrium conductance matrix for open stationary Chemical Reaction Networks (CRNs) described by a deterministic mass action kinetic equation. As an illustration, we determine the nonequilibrium conductance matrix of a CRN…

Chemical reactions occur in energy, environmental, biological, and many other natural systems, and the inference of the reaction networks is essential to understand and design the chemical processes in engineering and life sciences. Yet,…

Currently, over half of the computing power at CERN GRID is used to run High Energy Physics simulations. The recent updates at the Large Hadron Collider (LHC) create the need for developing more efficient simulation methods. In particular,…

Methane is considered being a good choice as a propellant for future reusable launch systems. However, the heat transfer prediction for supercritical methane flowing in cooling channels of a regeneratively cooled combustion chamber is…

For electric vehicles (EV) and energy storage (ES) batteries, thermal runaway is a critical issue as it can lead to uncontrollable fires or even explosions. Thermal anomaly detection can identify problematic battery packs that may…

Large-format lithium-ion batteries (LIBs) provide effective energy storage solutions for high-power equipment used in underground mining operations. They have high Columbic efficiency and minimal heat and emission footprints. However,…

A study of neural network architectures for the reconstruction of the energy deposited in the cells of the ATLAS liquid-argon calorimeters under high pile-up conditions expected at the HL-LHC is presented. These networks are designed to run…

One of the key safety considerations of battery manufacturing is thermal runaway, the uncontrolled increase in temperature which can lead to fires, explosions, and emissions of toxic gasses. As such, development of automated systems capable…

This paper is concerned with programming adaptive linear neural networks (ALNNs) using chemical reaction networks (CRNs) equipped with mass-action kinetics. Through individually programming the forward propagation and the backpropagation of…

The ab initio calculation of exact quantum reaction rate constants comes at a high cost due to the required dynamics of reactants on multidimensional potential energy surfaces. In turn, this impedes the rapid design of the kinetics for…

Accurate prediction of thermal runaway in lithium-ion batteries is essential for ensuring the safety, efficiency, and reliability of modern energy storage systems. Conventional data-driven approaches, such as Long Short-Term Memory (LSTM)…

Flamelet models are widely used in computational fluid dynamics to simulate thermochemical processes in turbulent combustion. These models typically employ memory-expensive lookup tables that are predetermined and represent the combustion…

Living systems operate out of equilibrium, continuously consuming energy to sustain organised, functional states. Their emergent behaviour usually relies on a set of interconnected chemical reaction networks (CRNs) driven by external fluxes…

With electric power systems becoming more compact and increasingly powerful, the relevance of thermal stress especially during overload operation is expected to increase ceaselessly. Whenever critical temperatures cannot be measured…

Thermal errors in machine tools significantly impact machining precision and productivity. Traditional thermal error correction/compensation methods rely on measured temperature-deformation fields or on transfer functions. Most existing…

Chemical reaction networks (CRNs) provide a convenient language for modelling a broad variety of biological systems. These models are commonly studied with respect to the time series they generate in deterministic or stochastic simulations.…

An artificial neural network (ANN) is investigated as a tool for estimating rate coefficients for the collisional excitation of molecules. The performance of such a tool can be evaluated by testing it on a dataset of collisionally-induced…