Publications related to History of thermodynamics

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

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

Influence of thermo-mechanical history on the ordering kinetics in 18 carat Au alloys

Helena Van Swygenhoven, Steven Van Petegem, Nadine Baluc, Marina Garcia Gonzalez

Precious alloys are subjected to a series of mechanical and thermal operations during manufacturing. For 18 carat gold alloys the processing operations can induce L1(0) ordered nanodomains, known to lead to the buildup of residual stresses, which are the p ...

PERGAMON-ELSEVIER SCIENCE LTD2020

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

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

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

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History of thermodynamics

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

Unearthing the foundational role of anharmonicity in heat transport in glasses

First-Principles Thermodynamics of CsSnI3

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

Anomalous Nernst effect in Co2MnGa thin films with perpendicular magnetic anisotropy

Influence of thermo-mechanical history on the ordering kinetics in 18 carat Au alloys

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

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

Single Organic Droplet Collision Voltammogram via Electron Transfer Coupled Ion Transfer

Thermodynamics-based Metabolite Sensitivity Analysis in metabolic networks

Graph Chatbot

Chat with Graph Search

Influence of thermo-mechanical history on the ordering kinetics in 18 carat Au alloys

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

Single Organic Droplet Collision Voltammogram via Electron Transfer Coupled Ion Transfer

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

Unearthing the foundational role of anharmonicity in heat transport in glasses

Anomalous Nernst effect in Co2MnGa thin films with perpendicular magnetic anisotropy

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

First-Principles Thermodynamics of CsSnI3

Thermodynamics-based Metabolite Sensitivity Analysis in metabolic networks

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