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Concept

Tableau périodique des éléments

Publications associées (32)

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Nicola Colonna

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Amer Chemical Soc2024

Light-Controlled Multiconfigurational Conductance Switching in a Single 1D Metal-Organic Wire

Christian Wäckerlin

Precise control of multiple spin states on the atomic scale presents a promising avenue for designing and realizing magnetic switches. Despite substantial progress in recent decades, the challenge of achieving control over multiconfigurational reversible s ...

Amer Chemical Soc2024

A Spectral Ansatz for The Long-Time Homogenization of The Wave Equation

Matthias Benjamin Ruf

Consider the wave equation with heterogeneous coefficients in the homogenization regime. At large times, the wave interacts in a nontrivial way with the heterogeneities, giving rise to effective dispersive effects. The main achievement of the present wor ...

Ecole Polytechnique2024

Functionalization of harmonic nanoparticles for drug release and multimodal imaging applications

Adrian Stefan Gheata

Cancer is among the leading causes of death worldwide, and as knowledge of the disease continues to grow there is an increasing interest towards precision medicine: more specifically towards the theranostics field, i.e the development of targeted molecular ...

EPFL2024

Verification of the Fourier-enhanced 3D finite element Poisson solver of the gyrokinetic full-f code PICLS

Laurent Villard, Stephan Brunner, Alberto Bottino, Moahan Murugappan

We introduce and derive the Fourier -enhanced 3D electrostatic field solver of the gyrokinetic full -f PIC code PICLS. The solver makes use of a Fourier representation in one periodic direction of the domain to make the solving of the system easily paralle ...

Elsevier2024

Power performance of a model floating wind turbine subjected to cyclic pitch motion: A wind tunnel study

Fernando Porté Agel, Guiyue Duan, Daniele Gattari

Wind tunnel experiments were performed with a miniature floating wind turbine model to study the effects of cyclic pitch motion on its power performance. The cyclic pitch motion was prescribed by two key parameters: pitch frequency and amplitude. The power ...

IOPscience2024

Dilution versus fractionation: Separation technologies hyphenated with spICP-MS for characterizing metallic nanoparticles in aerosols

Jian Wang, Christian Ludwig, Andrea Testino, Tianyu Cen

The presence of metal salts has become one of the major limitations for measuring metallic nanoparticles (NPs) in single particle inductively coupled plasma mass spectrometry (spICP-MS). Their presence generates a background signal in spICP-MS that can be ...

2024

Efficient and Accurate Handling of Periodic Flows in Time-Sensitive Networks

Jean-Yves Le Boudec, Seyed Mohammadhossein Tabatabaee

Total Flow Analysis (TFA) is a method for the worst-case analysis of time-sensitive networks. It uses service curve characterizations of the network nodes and arrival curves of flows at their sources; for tractability, the latter are often taken to be line ...

2023

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Hong Zhang, Changpeng Lin

Existing machine learning potentials for predicting phonon properties of crystals are typically limited on a material-to-material basis, primarily due to the exponential scaling of model complexity with the number of atomic species. We address this bottlen ...

NATURE PORTFOLIO2023

Modelling of metal alloys in realistic conditions with machine learning

Nataliya Lopanitsyna

Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...

EPFL2023

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Nadir Jori

One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...

EPFL2023

Plasmonic effects in the neutralization of slow ions at a metallic surface

Marnik Bercx

Secondary electron emission is an important process that plays a significant role in several plasma-related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliabl ...

WILEY-V C H VERLAG GMBH2023

Natural aging and vacancy trapping in Al-6xxx

William Curtin, Michele Ceriotti

Undesirable natural aging (NA) in Al-6xxx delays subsequent artificial aging (AA) but the size, composition, and evolution of clustering are challenging to measure. Here, atomistic details of early-stage clustering in Al-1% Mg-0.6%Si during NA are studied ...

Springer Heidelberg2023

Periodic and aperiodic NiFe nanomagnet/ferrimagnet hybrid structures for 2D magnon steering and interferometry with high extinction ratio

Dirk Grundler, Andrea Mucchietto, Sho Watanabe, Vinayak Shantaram Bhat, Elif Nur Dayi, Shixuan Shan

File formats are described in read_me files in the concerning folder. For plotting and data evaluation, Python 2.7 was used. Example scripts for plotting are provided. ...

Zenodo2023

Modeling high-entropy transition metal alloys with alchemical compression

Michele Ceriotti, Sandip De, Guillaume André Jean Fraux, Nataliya Lopanitsyna

Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mechanical properties, and more recently for their potential application in cat ...

AMER PHYSICAL SOC2023

Unconventional Flat Chern Bands and 2e Charges in Skyrmionic Moire Superlattices

Oleg Yazyev, Yifei Guan

The interplay of topological characteristics in real space and reciprocal space can lead to the emergence of unconventional topological phases. In this Letter, we implement a novel mechanism for generating higher-Chern flat bands on the basis of twisted bi ...

AMER CHEMICAL SOC2023

The elliptical Ornstein-Uhlenbeck process

Sofia Charlotta Olhede

We introduce the elliptical Ornstein-Uhlenbeck (OU) process, which is a generalisation of the well-known univariate OU process to bivariate time series. This process maps out elliptical stochastic oscillations over time in the complex plane, which are obse ...

INT PRESS BOSTON, INC2023

Swirling against the forcing: Evidence of stable counterdirected sloshing waves in orbital-shaken reservoirs

François Gallaire, Alessandro Bongarzone, Alice Evelyne Julienne Marcotte

We investigate the response of the free liquid surface in a partially filled circular cylindrical container undergoing a planar elliptic and time-periodic orbit while maintaining fixed its orientation. For small forcing amplitudes and deep liquid layers, w ...

Amer Physical Soc2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

Koopmans Spectral Functionals in Periodic Boundary Conditions

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Riccardo De Gennaro

Koopmans spectral functionals aim to describe simultaneously ground-state properties and charged excitations of atoms, molecules, nanostructures, and periodic crystals. This is achieved by augmenting standard density functionals with simple but physically ...

AMER CHEMICAL SOC2022