Publications related to Experimental and theoretical investigations of the thermodynamic stability of Ba-C-60 and K-C-60 compound clusters

Related publications (32)

Embedded cluster approach for accurate electronic structure calculations of 229Th:CaF2

Building on recent advances of the embedded cluster approach combined with multiconfigurational theory, this work investigates the electronic states in thorium-doped CaF2 crystals. Th:CaF2 is established as a promising material for solid-state nuclear cloc ...

AMER PHYSICAL SOC2025

Lagnet: Better Electron Density Prediction for Lcao-based Data and Drug-like Substances

Egor Rumiantsev

The electron density is an important object in quantum chemistry that is crucial for many downstream tasks in drug design. Recent deep learning approaches predict the electron density around a molecule from atom types and atom positions. Most of these meth ...

BMC2025

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

Tomasz Poreba

Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...

Royal Soc Chemistry2023

Experimental study of stability, quench propagation and detection methods on 15 kA sub-scale HTS fusion conductors in SULTAN

Pierluigi Bruzzone, Kamil Sedlák, Nikolay Bykovskiy, Ortensia Dicuonzo

High-temperature superconductors (HTSs) enable exclusive operating conditions for fusion magnets, boosting their performance up to 20 T generated magnetic fields in the temperature range from 4 K to 20 K. One of the main technological issues of HTS conduct ...

IOP Publishing Ltd2023

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Berend Smit, Seyedmohamad Moosavi, Elias Moubarak

To rank the performanceof materials for a given carbon captureprocess, we rely on pure component isotherms from which we predictthe mixture isotherms. For screening a large number of materials,we also increasingly rely on isotherms predicted from molecular ...

AMER CHEMICAL SOC2023

Hydrodynamical simulations of merging galaxy clusters: giant dark matter particle colliders, powered by gravity

David Richard Harvey

Terrestrial particle accelerators collide charged particles, then watch the trajectory of outgoing debris - but they cannot manipulate dark matter. Fortunately, dark matter is the main component of galaxy clusters, which are continuously pulled together by ...

Oxford Univ Press2024

A novel fatigue life prediction methodology based on energy dissipation in viscoelastic materials, synergistic effects of stress level, stress ratio, and temperature

Thomas Keller, Lulu Liu, Abdolvahid Movahedirad

This work introduces a new methodology to predict the fatigue life of viscoelastic materials by considering the creep effect on fatigue behavior under the concurrent effects of stress level, stress ratio, and temperature. The model established based on the ...

2024

The Local Cluster Survey II: disc-dominated cluster galaxies with suppressed star formation

Pascale Jablonka

We investigate the role of dense environments in suppressing star formation by studying log(10)(M- * / M-?) > 9 . 7 star-forming galaxies in nine clusters from the Local Cluster Survey (0.0137 < z < 0.0433) and a large comparison field sample drawn from th ...

OXFORD UNIV PRESS2023

The effect of pressure-anisotropy-driven kinetic instabilities on magnetic field amplification in galaxy clusters

Salim Bennouna, Yoan Rappaz

Context. The intracluster medium (ICM) is the low-density diffuse gas that fills the space between galaxies within galaxy clusters. It is primarily composed of magnetized plasma, which reaches virial temperatures of up to 10(8) K, probably due to mergers o ...

Edp Sciences S A2024

Hidden Gems on a Ring: Infant Massive Clusters and Their Formation Timeline Unveiled by ALMA, HST, and JWST in NGC 3351

Robin Gopala Tress

We use 0.1 '' observations from the Atacama Large Millimeter Array (ALMA), Hubble Space Telescope (HST), and JWST to study young massive clusters (YMCs) in their embedded "infant" phase across the central starburst ring in NGC 3351. Our new ALMA data revea ...

Iop Publishing Ltd2024

The evolution of the Milky Way's thin disc radial metallicity gradient with K2 asteroseismic ages

Saniya Khan

The radial metallicity distribution of the Milky Way's disc is an important observational constraint for models of the formation and evolution of our Galaxy. It informs our understanding of the chemical enrichment of the Galactic disc and the dynamical pro ...

Oxford Univ Press2023

CURLING - I. The influence of point-like image approximation on the outcomes of cluster strong lens modelling

Jean-Paul Richard Kneib, Huanyuan Shan, Nan Li

Cluster-scale strong lensing is a powerful tool for exploring the properties of dark matter and constraining cosmological models. However, due to the complex parameter space, pixelized strong lens modelling in galaxy clusters is computationally expensive, ...

Oxford Univ Press2024

Analysis of accretion disc structure and stability using open code for vertical structure

Pascale Jablonka

Detailed chemical abundances of very metal-poor (VMP; [Fe/H] < -2) stars are important for better understanding the first stars, early star formation, and chemical enrichment of galaxies. Big on-going and coming high-resolution spectroscopic surveys provid ...

OXFORD UNIV PRESS2023

Soliton gas: Theory, numerics, and experiments

Andrey Gelash

The concept of soliton gas was introduced in 1971 by Zakharov as an infinite collection of weakly interacting solitons in the framework of Korteweg-de Vries (KdV) equation. In this theoretical construction of a diluted (rarefied) soliton gas, solitons with ...

Amer Physical Soc2024

Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface

Christian Wäckerlin

On-surface synthesis has become a prominent method for growing low-dimensional carbon-based nanomaterials on metal surfaces. However, the necessity of decoupling organic nanostructures from metal substrates to exploit their properties requires either trans ...

Wiley-VCH Verlag GmbH2024

Elastocapillary menisci mediate interaction of neighboring structures at the surface of a compliant solid

John Martin Kolinski, Lebohang Molefe

Surface stress drives long-range elastocapillary interactions at the surface of compliant solids, where it has been observed to mediate interparticle interactions and to alter the transport of liquid drops. We show that such an elastocapillary interaction ...

2023

Magneto-Thermoelectric Transport in Graphene Quantum Dot with Strong Correlations

Oleksandr Kriuchkov

Disorder at etched edges of graphene quantum dots (GQD) enables random all-to-all interactions between localized charges in partially filled Landau levels, providing a potential platform to realize the Sachdev-Ye-Kitaev (SYK) model. We use quantum Hall edg ...

2024

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

Constraints on the Hubble constant from supernova Refsdal's reappearance

Vivien François Bonvin, Martin Raoul Robert Millon

The gravitationally lensed supernova Refsdal appeared in multiple images produced through gravitational lensing by a massive foreground galaxy cluster. After the supernova appeared in 2014, lens models of the galaxy cluster predicted that an additional ima ...

American Association for the Advancement of Science2023

Microstructure - Electrochemical Surface Reactivity Relationship of Electrochemically Grown Manganese Oxides Films

Roberto Cestaro

This Thesis provides a comprehensive and correlative investigation of the microstructure, chemical state, and electrochemical reactivity of manganese oxide (MnOx) films, aiming to gain a deeper understanding of the deposition and dissolution mechanism of M ...

EPFL2024