Development and verification of pin-by-pin homogenized simplified transport solver Tortin for PWR core analysis

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Implementing Multi-Electron Transfer Strategies in Uranium Chemistry

Dieuwertje Katelijn Modder

In the last decades, the activation of small molecules has attracted increasing attention for their use as cheap and abundant feedstock. Low-oxidation state uranium complexes have displayed high reactivity towards small molecules thanks to their unique pro ...

EPFL2023

Extension of GeN-Foam to departure from nucleate boiling prediction and validation against the OECD/NRC PSBT benchmark

Alessandro Scolaro, Carlo Fiorina, Yuhang Niu, Hao Qin

The prediction of departure from nucleate boiling (DNB) has always been a crucial aspect of thermal-hydraulic codes for the analysis of Light Water Reactors. In this paper, GeN-Foam, a multi-physics code developed based on OpenFOAM, has been enhanced to in ...

Elsevier Science Sa2023

A Route to Stabilize Uranium(II) and Uranium(I) Synthons in Multimetallic Complexes

Rosario Scopelliti, Marinella Mazzanti, Ivica Zivkovic, Dieuwertje Katelijn Modder

Herein, we report the redox reactivity of a multimetallic uranium complex supported by triphenylsiloxide (−OSiPh3) ligands, where we show that low valent synthons can be stabilized via an unprecedented mechanism involving intramolecular ligand migration. T ...

Wiley-VCH Verlag GmbH2023

Lattice Green's function method for Atomistic/Continuum coupling

Ankit Gupta

Metal plasticity is an inherently multiscale phenomenon due to the complex long-range field of atomistic dislocations that are the primary mechanism for plastic deformation in metals. Atomistic/Continuum (A/C) coupling methods are computationally efficient ...

EPFL2023

Training Efficient Controllers via Analytic Policy Gradient

Dario Floreano, Valentin Wüest, Davide Scaramuzza

Control design for robotic systems is complex and often requires solving an optimization to follow a trajectory accurately. Online optimization approaches like Model Predictive Control (MPC) have been shown to achieve great tracking performance, but requir ...

New York2023

Fast online diagnosis for solid oxide fuel cells: Optimisation of total harmonic distortion tool for real-system application and reactants starvation identification

Jan Van Herle, Hamza Moussaoui, Gerald Hammerschmid

This study investigates the potential application of total harmonic distortion (THD), as a fast online monitoring tool, to identify the early signs of failure modes in solid oxide fuel cells (SOFC). Indeed, the timely detection and identification of faults ...

ELSEVIER2023

A holistic investigation of photocatalytic hydrogen generation

Sangram Ashok Savant

Photocatalytic (PC) solar hydrogen production is a promising way to provide green hydrogen using only sunlight and abundant reactants such as water. PC approaches use catalytically active semiconductor particles suspended in liquid electrolytes. The partic ...

EPFL2023

The Societal and Scientific Importance of Inclusivity, Diversity, and Equity in Machine Learning for Chemistry

Daniel Probst

While the introduction of practical deep learning has driven progress across scientific fields, recent research highlighted that the requirement of deep learning for ever-increasing computational resources and data has potential negative impacts on the sci ...

2023

Detecting whether a stochastic process is finitely expressed in a basis

Victor Panaretos, Neda Mohammadi Jouzdani

Is it possible to detect if the sample paths of a stochastic process almost surely admit a finite expansion with respect to some/any basis? The determination is to be made on the basis of a finite collection of discretely/noisily observed sample paths. We ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2023

Directional sensitivity of cortical neurons towards TMS induced electric fields

Werner Alfons Hilda Van Geit, Aurélien Tristan Jaquier

We derived computationally efficient average response models of different types of cortical neurons, which are subject to external electric fields from Transcranial Magnetic Stimulation. We used 24 reconstructions of pyramidal cells (PC) from layer 2/3, 24 ...

2023

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Fast online diagnosis for solid oxide fuel cells: Optimisation of total harmonic distortion tool for real-system application and reactants starvation identification

Jan Van Herle, Hamza Moussaoui, Gerald Hammerschmid

ELSEVIER2023