Publications related to 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

Supersymmetries in nonequilibrium Langevin dynamics

Elisabeth Agoritsas

Stochastic phenomena are often described by Langevin equations, which serve as a mesoscopic model for microscopic dynamics. It has been known since the work of Parisi and Sourlas that reversible (or equilibrium) dynamics present supersymmetries (SUSYs). Th ...

2021

An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation

Jiri Vanicek, Julien Roulet

The explicit split-operator algorithm is often used for solving the linear and nonlinear time-dependent Schrödinger equations. However, when applied to certain nonlinear time-dependent Schrödinger equations, this algorithm loses time reversibility and seco ...

AIP Publishing2021

Emergence of Nontrivial Low-Energy Dirac Fermions in Antiferromagnetic EuCd2As2

Joël Mesot, Vladimir N. Strocov, Pierre Richard, Han Wang, Hang Li

Parity-time symmetry plays an essential role for the formation of Dirac states in Dirac semimetals. So far, all of the experimentally identified topologically nontrivial Dirac semimetals (DSMs) possess both parity and time reversal symmetry. The realizatio ...

Wiley-V C H Verlag Gmbh2020

Time-reversal symmetry breaking Abelian chiral spin liquid in Mott phases of three-component fermions on the triangular lattice

Frédéric Mila, Karlo Penc, Pierre Marcel Nataf, Miklos Lajko, Carolin Boos

We provide numerical evidence in favor of spontaneous chiral symmetry breaking and the concomitant appearance of an Abelian chiral spin liquid for three-component fermions on the triangular lattice described by an SU(3) symmetric Hubbard model with hopping ...

2020

Electromagnetic fields in a time-varying medium: Exceptional points and operator symmetries

Romain Christophe Rémy Fleury, Theodoros Koutserimpas

In this paper, we study the interactions of electromagnetic waves with a non-dispersive dynamic medium that is temporally dependent. Electromagnetic fields under material time-modulation conserve their momentum but not their energy. We assume a time-variat ...

2020

Thermal and pH Sensitive Composite Membrane for On-Demand Drug Delivery by Applying an Alternating Magnetic Field

Jürgen Brugger, Giovanni Boero, Xiao Sheng Zhang, Ya Wang

Implantable drug delivery systems that can realize a scheduled drug release according to the needs of patients would be highly beneficial for the treatment of chronic diseases and cancer. Here, micrometer‐sized hydrogel particles with both thermal and pH s ...

2020

A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid

Jiri Vanicek, Seonghoon Choi

One of the most accurate methods for solving the time-dependent Schrödinger equation uses a combination of the dynamic Fourier method with the split-operator algorithm on a tensor-product grid. To reduce the number of required grid points, we let the grid ...

2019

Structure and superconductivity in the binary Re1-xMox alloys

Joël Mesot

The binary Re1-xMox alloys, known to cover the full range of solid solutions, were successfully synthesized and their crystal structures and physical properties investigated via powder x-ray diffraction, electrical resistivity, magnetic susceptibility, and ...

AMER PHYSICAL SOC2019

Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd2As2

Joël Mesot

Weyl fermions as emergent quasiparticles can arise in Weyl semimetals (WSMs) in which the energy bands are nondegenerate, resulting from inversion or time-reversal symmetry breaking. Nevertheless, experimental evidence for magnetically induced WSMs is scar ...

American Association for the Advancement of Science (AAAS)2019

Electromagnetic Nonreciprocity

Karim Achouri, Christophe Caloz

We aim at providing a global perspective on electromagnetic nonreciprocity and clarifying confusions that arose in recent developments of the field. We provide a general definition of nonreciprocity and classify nonreciprocal systems according to their lin ...

American Physical Society (APS)2018