Publications associées à Time reversibility

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

Thermodynamic bounds on time-reversal asymmetry

Shiling Liang

Quantifying irreversibility of a system using finite information constitutes a major challenge in stochastic thermodynamics. We introduce an observable that measures the time-reversal asymmetry between two states after a given time lag. Our central result ...

Amer Physical Soc2023

Process modeling and integration of hydrogen and synthetic natural gas production in a kraft pulp mill via black liquor gasification

François Maréchal, Daniel Alexander Florez Orrego, Meire Ellen Gorete Ribeiro Domingos

The black liquor gasification integrated to chemical plants has shown potential for reducing the process irreversibility and promoting the decarbonization of this industrial sector. In the integrated chemical plants proposed in this work, the purpose is co ...

Pergamon-Elsevier Science Ltd2023

Techno-economic and environmental analysis of methanol and dimethyl ether production from syngas in a kraft pulp process

François Maréchal, Daniel Alexander Florez Orrego

The conventional configuration of a pulp mill, in which black liquor is concentrated and burnt, is compared to the upgrading gasification routes for methanol (MeOH) or dimethyl ether (DME) co-production. To this end, various exergy-based and environmental ...

PERGAMON-ELSEVIER SCIENCE LTD2022

High-order geometric integrators for nonadiabatic molecular quantum dynamics and their applications to explore conical intersections

Seonghoon Choi

Accurate simulations of molecular quantum dynamics are crucial for understanding numerous natural processes and experimental results. Yet, such high-accuracy simulations are challenging even for relatively simple systems where the Born-Oppenheimer approxim ...

EPFL2022

Luminescent and electronic properties of perovskite solar cells

Brian Irving Carlsen

Perovskite solar cells show great promise to serve as an alternative for traditional silicon-based solar cells, however several problems present obstacles for their commercialization. Standard perovskite cells contain lead, which is toxic to humans and har ...

EPFL2022

Load bearing device

Corentin Jean Dominique Fivet, Jan Friedrich Georg Brütting, Dario Redaelli, Alex-Manuel Muresan

The present relates to a device being used in modular building construction comprising at least one flat load support comprising a first main face and a second main face, at least one elongated load support designed for being coupled with said flat load su ...

2021

High-order geometric integrators for representation-free Ehrenfest dynamics

Jiri Vanicek, Seonghoon Choi

Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approximation to the exact solution of the molecular time-dependent Schrödinger equa ...

2021

Fluctuation-dissipation relations in the absence of detailed balance: formalism and applications to active matter

Ignacio Pagonabarraga Mora, Sara Dal Cengio

We present a comprehensive study about the relationship between the way detailed balance is broken in non-equilibrium systems and the resulting violations of the fluctuation-dissipation theorem. Starting from stochastic dynamics with both odd and even vari ...

IOP PUBLISHING LTD2021

Single-Sensor EMI Source Localization Using Time Reversal: An Experimental Validation

Farhad Rachidi-Haeri, Marcos Rubinstein, Mohammad Azadifar, Hamidreza Karami, Zhaoyang Wang

The localization of electromagnetic interference (EMI) sources is of high importance in electromagnetic compatibility applications. Recently, a novel localization technique based on the time-reversal cavity (TRC) concept was proposed using only one sensor, ...

2021