Publications associées à Principes de la thermodynamique

First-principles thermodynamics of precipitation in aluminum-containing refractory alloys

Materials for high -temperature environments are actively being investigated for deployment in aerospace and nuclear applications. This study uses computational approaches to unravel the crystallography and thermodynamics of a promising class of refractory ...

Pergamon-Elsevier Science Ltd2024

Advances in hydration and thermodynamics of cementitious systems

Karen Scrivener, Patrick Juilland, Aslam Kunhi Mohamed, Fabien Jacques Michel Georget, Thomas Matschei

Optimising the hydration of cementitious materials is crucial to leverage their full potential and avoid wasting resources, embodied energy and CO2. Understanding the fundamental mechanisms is key to reach these objectives. In this paper, we review progres ...

Pergamon-Elsevier Science Ltd2023

First-Principles Thermodynamics of CsSnI3

Nicola Marzari, Lorenzo Monacelli

CsSnI3 is a promising ecofriendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we unveil the relativ ...

AMER CHEMICAL SOC2023

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

Many-body physics with strongly interacting fermions coupled to light

Victor Youri Helson

This thesis reports on the realization of the first experiments conducted with superfluid, strongly interacting Fermi gases of 6Li coupled to the light field of an optical cavity. In the scope of existing ultracold atomic platforms, this is the first time ...

EPFL2023

Increasing the Energy Efficiency of Gas Boosters for Hydrogen Storage and for Refueling Stations

Alfred Rufer

A new electrically driven gas booster is described as an alternative to the classical air-driven gas boosters known for their poor energetic efficiency. These boosters are used in small scale Hydrogen storage facilities and in refueling stations for Hydrog ...

MDPI2023

Optimal enzyme utilization suggests that concentrations and thermodynamics determine binding mechanisms and enzyme saturations

Vassily Hatzimanikatis, Daniel Robert Weilandt, Asli Sahin

One of the main challenges hampering the development of kinetic models is the lack of kinetic parameters for many enzymatic reactions. Here, the authors introduce a framework to explore the catalytically optimal operating conditions of any complex enzyme m ...

Nature Portfolio2023

Unified theory of atom-centered representations and message-passing machine-learning schemes

Michele Ceriotti, Guillaume André Jean Fraux, Sergey Pozdnyakov, Jigyasa Nigam

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on descriptions of atom-cen ...

AIP Publishing2022

Simulation and experimental validation of pulsating heat pipes

John Richard Thome, Jackson Braz Marcinichen, Philippe Aubin, Filippo Cataldo

The one-dimensional transient numerical code of JJ Cooling Innovation has been significantly improved to simulate the thermal/hydraulic performance of pulsating heat pipes (PHPs). Using a mechanistic approach, the liquid slug and vapor plug flows and their ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Equilibrium and non-equilibrium furanose selection in the ribose isomerisation network

Paolo De Los Rios, Shiling Liang, Francesco Piazza, Daniel Maria Busiello

The exclusive presence of beta -D-ribofuranose in nucleic acids is still a conundrum in prebiotic chemistry, given that pyranose species are substantially more stable at equilibrium. However, a precise characterisation of the relative furanose/pyranose fra ...

Nature Research2021

Repair or Degrade: the Thermodynamic Dilemma of Cellular Protein Quality-Control

Paolo De Los Rios, Bruno Claude Daniel Fauvet, Pierre Goloubinoff, Satyam Tiwari, Mathieu Rebeaud

Life is a non-equilibrium phenomenon. Owing to their high free energy content, the macromolecules of life tend to spontaneously react with ambient oxygen and water and turn into more stable inorganic molecules. A similar thermodynamic picture applies to th ...

FRONTIERS MEDIA SA2021

The Pristine survey - XIV. Chemical analysis of two ultra-metal-poor stars

Pascale Jablonka, Carmela Lardo

Elemental abundances of the most metal-poor stars reflect the conditions in the early Galaxy and the properties of the first stars. We present a spectroscopic follow-up of two ultra-metal-poor stars ([Fe/H] < -4.0) identified by the survey Pristine: Pristi ...

OXFORD UNIV PRESS2021

The formation of the Milky Way halo and its dwarf satellites: A NLTE-1D abundance analysis. V. The Sextans galaxy

Pascale Jablonka

We present a homogeneous set of accurate atmospheric parameters for a sample of eleven very metal-poor (-3.32

OXFORD UNIV PRESS2021

The formation of the milky way halo and its dwarf satellites: a NLTE-1D abundance analysis. IV. Segue 1, Triangulumii, and Coma Berenices UFDs

Pascale Jablonka

We present atmospheric parameters and abundances for chemical elements from carbon to barium in metal-poor stars in Segue 1 (seven stars), Coma Berenices (three stars), and Triangulum II (one star) ultrafaint dwarf galaxies (UFDs). The effective temperatur ...

OXFORD UNIV PRESS2021

From the Principle of Inertia to the Death Drive: The Influence of the Second Law of Thermodynamics on the Freudian Theory of the Psychical Apparatus

Pierre Magistretti, Jean-Philippe Ansermet

In the Freudian theory of the psychical apparatus, the introduction from the 1920s onward of the second drive dualism appears as a major turning point. The idea of a "death drive," first expressed in Beyond the Pleasure Principle (Freud, 1920), is generall ...

Frontiers Media2020

3D Ordering at the Liquid-Solid Polar Interface of Nanowires

Anna Fontcuberta i Morral, Michele Ceriotti, Cécile Hébert, Duncan Thomas Lindsay Alexander, Gözde Tütüncüoglu, Martin George Friedl, Luca Francaviglia, Mahdi Zamani, Nicolas Tappy, Giulio Imbalzano, Sara Marti Sanchez, Lea Ghisalberti

The nature of the liquid-solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal growth. Most of the established models for crystal growth are based on macroscopic t ...

Wiley2020

Non-equilibrium kinetics and trajectory thermodynamics of synthetic molecular pumps

Cristian Pezzato

A major goal in the design of synthetic molecular machines is the creation of pumps that can use the input of energy to transport material from a reservoir at low chemical potential to a different reservoir at higher chemical potential, thereby forming and ...

ROYAL SOC CHEMISTRY2020

Designing Singlet Fission Candidates from Donor-Acceptor Copolymers

Anne-Clémence Corminboeuf, Sergio Vela Llausi, Maria Fumanal Quintana, Jacob Terence Blaskovits

Singlet fission (SF) has demonstrated significant promise for boosting the power conversion efficiency (PCE) of solar cells. Traditionally, SF is targeted as an intermolecular process; however, its dependence on crystal packing makes molecular design diffi ...

AMER CHEMICAL SOC2020

Aerosol pH and liquid water content determine when particulate matter is sensitive to ammonia and nitrate availability

Athanasios Nenes, Spyros Pandis

Nitrogen oxides (NOx) and ammonia (NH3) from anthropogenic and biogenic emissions are central contributors to particulate matter (PM) concentrations worldwide. The response of PM to changes in the emissions of both compounds is typically studied on a case- ...

Copernicus Publications2020

Effective stress jump across membranes

François Gallaire, Giuseppe Antonio Zampogna

A macroscopic condition to simulate the interaction between an incompressible fluid flow and a permeable micro-structured rigid surface (i.e. a thin membrane) has been developed using multiscale homogenization and matching asymptotic expansions between the ...

Cambridge University Press2020