Publications associées à Histoire de la thermodynamique classique

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

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

Large-scale kinetic metabolic models of Pseudomonas putida KT2440 for consistent design of metabolic engineering strategies

Vassily Hatzimanikatis, Ljubisa Miskovic, Milenko Tokic

Background: Pseudomonas putida is a promising candidate for the industrial production of biofuels and biochemicals because of its high tolerance to toxic compounds and its ability to grow on a wide variety of substrates. Engineering this organism for impro ...

2020

Copper battery for heat to power conversion and energy storage

Sunny Isaïe Maye

An important part of the electricity production relies on heat conversion. Indeed power plants burn fuels like natural gas, coal or use nuclear fission to produce heat that can be transformed into electricity through a thermodynamic cycle and the mechanica ...

EPFL2020

Anomalous Nernst effect in Co2MnGa thin films with perpendicular magnetic anisotropy

Jean-Philippe Ansermet, Haiming Yu, Simon Granville, Sa Tu, Junfeng Hu, Yao Zhang, Song Liu

The thermoelectric and transport properties of MgO/Co2MnGa/Pd stacks with perpendicular magnetic anisotropy were measured. For a nominal 3.3 nm Co2MnGa thickness, the anomalous Nernst coefficient and the Nernst angle at room temperature were found to be 0. ...

ELSEVIER2020

Design and optimization of a high-temperature latent heat storage unit

Sophia Haussener, Ehsan Rezaei, Alberto Ortona, Maurizio Barbato

High-temperature latent heat thermal energy storage systems offer compact storage solutions, benefiting from the large latent heat of phase change materials. Common challenges in their design process are the low thermal conductivity of the phase change mat ...

2019

A survey of the thermal and non-thermal properties of cosmic filaments

Claudio Gheller

In this paper, we exploit a large suite of ENZO cosmological magneto-hydrodynamical simulations adopting uniform mesh resolution, to investigate the properties of cosmic filaments under different baryonic physics and magnetogenesis scenarios. We exploit an ...

OXFORD UNIV PRESS2019

pyTFA and matTFA: a Python package and a Matlab toolbox for Thermodynamics-based Flux Analysis

Vassily Hatzimanikatis, Meriç Ataman, Georgios Fengos, Keng Cher Soh, Pierre Guy Rémy Salvy

Summary: pyTFA and matTFA are the first published implementations of the original TFA paper. Specifically, they include explicit formulation of Gibbs energies and metabolite concentrations, which enables straightforward integration of metabolite concentrat ...

2018

Evaluation of Heat Transfer Coefficients for an Impingement Cooling Cascade: Experimental Challenges and Preliminary Results

Peter Ott, Alexandros Terzis, Michele Gaffuri

In this paper, a modification of the widely used transient liquid crystal heat transfer measurement technique for impingement cooling is presented, in which a constant heat flux at the surface is used to drive the experiment, instead of a step change in th ...

2018

Single Organic Droplet Collision Voltammogram via Electron Transfer Coupled Ion Transfer

Pekka Eero Peljo, Haiqiang Deng, Cheng Liu

Single-emulsion toluene oil droplets (femtoliter) containing a hydrophobic redox probe that are dispersed in water stochastically collide with an ultramicroelectrode (UME). The fast-scan cyclic voltammetry (FSCV) or Fourier-transformed sinusoidal voltammet ...

American Chemical Society2017

Thermodynamics-based Metabolite Sensitivity Analysis in metabolic networks

Vassily Hatzimanikatis

The increasing availability of large metabolomics datasets enhances the need for computational methodologies that can organize the data in a way that can lead to the inference of meaningful relationships. Knowledge of the metabolic state of a cell and how ...

Elsevier2017

Determining The Potential Of Salinity Gradient Energy Source Using An Exergy Analysis

Arash Emdadi

Mixing of fresh (river) water and salty water (seawater or saline brine) in a control fashion would produces an electrical energy known as salinity gradient energy (SGE). Two main conversion technologies of SGE are membrane-based processes; pressure retard ...

Amer Soc Mechanical Engineers2016

Organic Solvent Effects in Biomass Conversion Reactions

Jeremy Luterbacher, Li Shuai

Transforming lignocellulosic biomass into fuels and chemicals has been intensely studied in recent years. A large amount of work has been dedicated to finding suitable solvent systems, which can improve the transformation of biomass into value-added chemic ...

Wiley-VCH Verlag Berlin2016

Navigating and Managing the Complexity of Genome Scale Metabolic Networks for Studies in Cellular Physiology and Industrial Biotechnology

Meriç Ataman

Metabolism is a network of biochemical reactions that converts carbon sources to cellu-lar fuels and building blocks. Metabolism of many organisms has been studied for many decades. These studies define metabolism as a very large and complex network. Stoic ...

EPFL2016

Thermodynamic Aspects of Homogeneous Nucleation Enhanced by Icosahedral Short Range Order in Liquid Fcc-Type Alloys

Michel Rappaz, Güven Kurtuldu

We have recently shown that minute solute element additions to liquid metallic alloys can strongly influence the nucleation of the fcc phase and act as a grain refinement method. Electron back-scattered diffraction observations revealed a concomitant incre ...

Springer2015

Heading in the right direction: thermodynamics-based network analysis and pathway engineering

Vassily Hatzimanikatis, Meriç Ataman

Thermodynamics-based network analysis through the introduction of thermodynamic constraints in metabolic models allows a deeper analysis of metabolism and guides pathway engineering. The number and the areas of applications of thermodynamics-based network ...

Elsevier2015

Mechanical work makes important contributions to surface chemistry at steps

William Curtin, Michael Frederick Francis

The effect of mechanical strain on the binding energy of adsorbates to late transition metals is believed to be entirely controlled by electronic factors, with tensile stress inducing stronger binding. Here we show, via computation, that mechanical strain ...

Nature Publishing Group2015

Decamethylruthenocene Hydride and Hydrogen Formation at Liquid|Liquid Interfaces

Hubert Girault, Pekka Eero Peljo, Manuel Alejandro Méndez Agudelo, Thomas James Stockmann, Micheal Diarmaid Scanlon, Lucie Josette Renée Rivier

The formation and the dissociation of metal hydrides are key steps within the hydrogen evolution reaction (HER) pathway for photochemical water splitting, but also impacts a wide range of other catalytic, industrial, and biochemical reactions. Herein, we d ...

American Chemical Society2015

Maximum entropy production, carbon assimilation, and the spatial organization of vegetation in river basins

Andrea Rinaldo

The spatial organization of functional vegetation types in river basins is a major determinant of their runoff production, biodiversity, and ecosystem services. The optimization of different objective functions has been suggested to control the adaptive be ...

Natl Acad Sciences2012

Heat-driven spin currents on large scales

Jean-Philippe Ansermet, Sylvain Bréchet

Using a three-current model (i.e. heat, spin-up and spin-down electrons) the thermodynamics of irreversible processes predicts that a temperature gradient gives rise to a spin current on large scales, in particular under the conditions used to measure the ...

Wiley-Blackwell2011