Publication

Invariance principles in the theory and computation of transport coefficients

Publications associées (37)

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Connectez-vous pour utiliser Chat avec Graph Search

Disentangling Thermal from Electronic Contributions in the Spectral Response of Photoexcited Perovskite Materials

Majed Chergui, Thomas Charles Henry Rossi, Malte Oppermann, Lijie Wang

Disentangling electronic and thermal effects in photoexcited perovskite materials is crucial for photovoltaic and optoelectronic applications but remains a challenge due to their intertwined nature in both the time and energy domains. In this study, we emp ...

Washington2024

Energy Geotechnics includes several applications related to the recovery and storage of energy from and into the ground, energy transportation, and the management of waste and carbon dioxide generated from energy use. These applications often involve the n ...

Wei Wu, Universität für Bodenkultur2023

Predicting the thermal conductivity of glasses from first principles has hitherto been a very complex problem. The established Allen-Feldman and Green-Kubo approaches employ approximations with limited validity-the former neglects anharmonicity, the latter ...

NATURE PORTFOLIO2023

Jammed, disordered packings of given sets of particles possess a multitude of equilibrium states with different mechanical properties. Identifying and constructing desired states, e.g., of superior stability, is a complex task. Here, we show that in two-di ...

2022

Effects of Degrees of Freedom on Calculating Diffusion Properties in Nanoporous Materials br

Berend Smit, Raffaela Cabriolu, Henglu Xu

If one carries out a molecular simulation ofNparticlesusing periodic boundary conditions, linear momentum is conserved,and hence, the number of degrees of freedom is set to 3N-3. Inmost programs, this number of degrees of freedom is the defaultsetting. How ...

AMER CHEMICAL SOC2022

Thermally driven flows in fractures play a key role in enhancing the heat transfer and fluid mixing across the Earth’s lithosphere. Yet the energy pathways in such confined environments have not been characterised. Building on Letelier et al. (J. Fluid Mec ...

2021

Oxidation States, Thouless' Pumps, and Nontrivial Ionic Transport in Nonstoichiometric Electrolytes

Federico Grasselli

Thouless' quantization of adiabatic particle transport permits one to associate an integer topological charge with each atom of an electronically gapped material. If these charges are additive and independent of atomic positions, they provide a rigorous de ...

2020

Generalization of Fourier’s Law into Viscous Heat Equations

Nicola Marzari, Andrea Cepellotti, Michele Simoncelli

Heat conduction in dielectric crystals originates from the dynamics of atomic vibrations, whose evolution is well described by the linearized Boltzmann transport equation for the phonon populations. Recently, it was shown that thermal conductivity can be r ...

2020

, ,

We derive the mechanical energy budget for shallow, ice-covered lakes energized by penetrative solar radiation. Radiation increases the available and background components of the potential energy at different rates. Available potential energy drives under- ...

2019

Equilibrium and nonequilibrium molecular dynamics simulations are combined to compute the full set of coefficients that appear in the phenomenological equations describing thermal transport in a binary mixture subject to a constant thermal, gradient The Dy ...

Amer Chemical Soc2017