Concept
History of thermodynamics
Related publications (41)
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 Ltd2024Unearthing the foundational role of anharmonicity in heat transport in glasses
The time-honored Allen -Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic broadening of vibrational normal modes. We demonstrate that the harmonic app ...
Amer Physical Soc2024First-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 SOC2023Large-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 ...
2020Anomalous 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. ...
ELSEVIER2020Influence 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 LTD2020Design 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 ...
2019pyTFA 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 ...
2018Single 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 Society2017Thermodynamics-based Metabolite Sensitivity Analysis in metabolic networks
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