Publications associées à Capacité thermique molaire

Brokering between tenants for an international materials acceleration platform

Giovanni Pizzi, Ivano Eligio Castelli, Francisco Fernando Ramirez

The efficient utilization of resources in accelerated materials science necessitates flexible, reconfigurable software-defined research workflows. We demonstrate a brokering approach to modular and asynchronous research orchestration to integrate multiple ...

CELL PRESS2023

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

Charge multipole correlations and order in Cs2TaCl6

Henrik Moodysson Rønnow, Ivica Zivkovic, Jian Rui Soh, Jana Pásztorová

We examine the role of charge, structural, and spin degrees of freedom in the previously poorly understood phase transition in the 5d1 transition-metal double perovskite Cs2TaCl6 using a combination of computational and experimental techniques. Our heat ca ...

AMER PHYSICAL SOC2023

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

EPFL2023

Molten globule-like transition state of protein barnase measured with calorimetric force spectroscopy

Sebastian James Davis

Understanding how proteins fold into their native structure is a fundamental problem in biophysics, crucial for protein design. It has been hypothesized that the formation of a molten globule intermediate precedes folding to the native conformation of glob ...

National Academy of Sciences2022

Intrinsically High Capacity of Animal Cells From a Symbiotic Cnidarian to Deal With Pro-Oxidative Conditions

Gaëlle Delphine Toullec

The cnidarian-dinoflagellate symbiosis is a mutualistic intracellular association based on the photosynthetic activity of the endosymbiont. This relationship involves significant constraints and requires co-evolution processes, such as an extensive capacit ...

FRONTIERS MEDIA SA2022

A data-science approach to predict the heat capacity of nanoporous materials

Berend Smit, Elias Moubarak, Susana Garcia Lopez, Balázs Álmos Novotny, Seyedmohamad Moosavi, Daniele Ongari, Mehrdad Asgari, Andres Adolfo Ortega Guerrero, Özge Kadioglu

The heat capacity of a material is a fundamental property of great practical importance. For example, in a carbon capture process, the heat required to regenerate a solid sorbent is directly related to the heat capacity of the material. However, for most m ...

NATURE PORTFOLIO2022

Influence of sustained loading on resistance and deformation capacity of reinforced concrete members in compression

Aurelio Muttoni, Xhemsi Malja, Miguel Fernández Ruiz

As acknowledged explicitly or implicitly in most of current design codes, a high level of sustained loading has a detrimental effect on the concrete compressive strength. However, its beneficial effect in terms of deformation capacity is neglected in most ...

ERNST & SOHN2022

An integrated flexible film as cathode for High-Performance Lithium-Sulfur battery

Kangning Zhao, Yutao Li, Rui Guo, Wen Liu

Poor cycling stability and low volumetric capacity of sulfur cathode prevents practical application of Lithium-sulfur (Li-S) batteries. Herein, we demonstrate a strategy to address the two drawbacks of sulfur cathode by synthesizing a compact and flexible ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2022

Dissipation-Driven Selection under Finite Diffusion: Hints from Equilibrium and Separation of Time Scales

Paolo De Los Rios, Shiling Liang, Daniel Maria Busiello

When exposed to a thermal gradient, reaction networks can convert thermal energy into the chemical selection of states that would be unfavourable at equilibrium. The kinetics of reaction paths, and thus how fast they dissipate available energy, might be do ...

MDPI2021

Microchannel-based Calorimeter for Rapid and Accurate Loss Measurements on High-efficiency Power Converters

Elison de Nazareth Matioli, Remco Franciscus Peter van Erp, Palliyage Srilak Nirmana Perera

The difficulty in accurately measuring losses in high-frequency power converters hinders accurate breakdown of losses which is essential for device and circuit optimization. Electrical methods are often not adequate and calorimetric approaches found in the ...

IEEE2021

A mechanical approach for the maximum punching resistance of shear-reinforced slab-column connections

Aurelio Muttoni, Miguel Fernández Ruiz, João Tiago Ramos Bernardo de Santa Rita Simões, Diego Hernández Fraile

The use of punching shear reinforcement is currently considered as one of the most convenient practices to enhance the punching shear strength and deformation capacity of slab-column connections in flat slabs. Intensive research has been performed in the l ...

Fédération Internationale du Béton (fib)2021

Entropic Fokker-Planck kinetic model

Mohammadhossein Gorji

The diffusion limit of kinetic systems has been subject of numerous studies since prominent works of Lebowitz et al. [1] and van Kampen [2]. More recently, the topic has seen a fresh interest from the rarefied gas simulation perspective. In particular, Fok ...

2021

Hydrogen production on demand by redox-mediated electrocatalysis: A kinetic study

Hubert Girault, Sunny Isaïe Maye, Danick Reynard

Producing hydrogen from water using a redox mediator on solid electrocatalyst particles in a reactor offers several advantages over classical electrolysis in terms of safety, membrane degradation, purity and flexibility. Herein, vanadium-mediated hydrogen ...

ELSEVIER SCIENCE SA2021

Nuclear Quantum Effects: Fast and Accurate

Venkat Kapil

Atomistic simulations are a bottom up approach that predict properties of materials by modelling the quantum mechanical behaviour of all electrons and nuclei present in a system. These simulations, however, routinely assume nuclei to be classical particles ...

EPFL2020

Journal of Physics: Conference Series High-pressure specific heat technique to uncover novel states of quantum matter

Henrik Moodysson Rønnow, Julio Antonio Larrea Jiménez

AC-specific heat measurements remain as the foremost thermodynamic experimental method to underpin phase transitions in tiny samples. However, its performance under combined extreme conditions of high-pressure, very low temperature and intense magnetic fie ...

IOP PUBLISHING LTD2020

Quantifying the technical geothermal potential from shallow borehole heat exchangers at regional scale

Jean-Louis Scartezzini, Nahid Mohajeri Pour Rayeni, Alina Ursula Rosa Walch

The extraction of shallow geothermal energy using borehole heat exchangers (BHEs) is a promising approach for decarbonisation of the heating sector. However, a dense deployment of BHEs may lead to thermal interference between neighboring boreholes and ther ...

Pergamon-Elsevier Science Ltd2020

Ultrafast carbothermal reduction of silica to silicon using a CO2 laser beam

Jaeki Jeong

We report the extraction of silicon via a carbothermal reduction process using a CO2 laser beam as a heat source. The surface of a mixture of silica and carbon black powder became brown after laser beam irradiation for a few tens of seconds, and clear peak ...

NATURE RESEARCH2020

Structure and superconductivity in the binary Re1-xMox alloys

Joël Mesot

The binary Re1-xMox alloys, known to cover the full range of solid solutions, were successfully synthesized and their crystal structures and physical properties investigated via powder x-ray diffraction, electrical resistivity, magnetic susceptibility, and ...

AMER PHYSICAL SOC2019

Modeling the Structural and Thermal Properties of Loaded Metal–Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations

Michele Ceriotti, Venkat Kapil

Metal–organic frameworks show both fundamental interest and great promise for applications in adsorption-based technologies, such as the separation and storage of gases. The flexibility and complexity of the molecular scaffold pose a considerable challenge ...

2019