Publications related to Detailed balance

On the Convergence to the Non-equilibrium Steady State of a Langevin Dynamics with Widely Separated Time Scales and Different Temperatures

Nicolas Macris, Emanuele Mingione, Diego Alberici

We study the solution of the two-temperature Fokker-Planck equation and rigorously analyse its convergence towards an explicit non-equilibrium stationary measure for long time and two widely separated time scales. The exponential rates of convergence are e ...

Springer Int Publ Ag2024

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

Roya Moghaddasi Fereidani

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

Network-based kinetic models: Emergence of a statistical description of the graph topology

Matteo Raviola

In this paper, we propose a novel approach that employs kinetic equations to describe the collective dynamics emerging from graph-mediated pairwise interactions in multi-agent systems. We formally show that for large graphs and specific classes of interact ...

Cambridge Univ Press2024

Temperature- and vacancy-concentration-dependence of heat transport in Li3ClO from multi-method numerical simulations

Federico Grasselli

Despite governing heat management in any realistic device, the microscopic mechanisms of heat transport in all-solid-state electrolytes are poorly known: existing calculations, all based on simplistic semi-empirical models, are unreliable for superionic co ...

NATURE PORTFOLIO2022

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

Cryogenic MOSFET Modeling for Large-Scale Quantum Computing

Arnout Lodewijk M Beckers

Promising results of state-of-the-art quantum computers fuel a world-wide effort in academic and private research laboratories to scale up the number of qubits and improve their characteristics in large arrays. To meet the scale-up challenge, innovative mi ...

EPFL2021

Passive Perching with Energy Storage for Winged Aerial Robots

Dario Floreano, Yegor Piskarev, William John Stewart, Luca Guarino

Perching in unmanned aerial vehicles (UAVs) offers the possibility of extending the range of aerial robots beyond the limits of their batteries. It has been a topic of intense study for multirotor UAVs. Perching in winged UAVs is harder because a kinetic e ...

2021

The Genesis of Molecular Volcano Plots

Matthew Wodrich, Anne-Clémence Corminboeuf, Michael Markus Busch, Boodsarin Sawatlon

For the past two decades, linear free energy scaling relationships and volcano plots have seen frequent use as computational tools that aid in understanding and predicting the catalytic behavior of heterogeneous and electrocatalysts. Based on Sabatier's pr ...

2021

Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Dominique Bonvin, Diogo Filipe Mateus Rodrigues

For the investigation of complex reaction systems, it has been proposed to decouple the various rate processes using a linear time-invariant transformation that is constructed from knowledge of stoichiometry, reaction enthalpies, inlet compositions and tem ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Non-equilibrium kinetics and trajectory thermodynamics of synthetic molecular pumps

Cristian Pezzato

A major goal in the design of synthetic molecular machines is the creation of pumps that can use the input of energy to transport material from a reservoir at low chemical potential to a different reservoir at higher chemical potential, thereby forming and ...

ROYAL SOC CHEMISTRY2020

Coarse-grained entropy production with multiple reservoirs: Unraveling the role of time scales and detailed balance in biology-inspired systems

Daniel Maria Busiello, Amos Maritan, Deepak Gupta

A general framework to describe a vast majority of biology-inspired systems is to model them as stochastic processes in which multiple couplings are in play at the same time. Molecular motors, chemical reaction networks, catalytic enzymes, and particles ex ...

2020

Arbitrarily high time bandwidth performance in a nonreciprocal optical resonator with broken time invariance

Camille Sophie Brès, Hatice Altug, Davide Grassani, Simon Julien Fabbri, Ivan Cardea, Kosmas Tsakmakidis

Most present-day resonant systems, throughout physics and engineering, are characterized by a strict time-reversal symmetry between the rates of energy coupled in and out of the system, which leads to a trade-off between how long a wave can be stored in th ...

Nature Research2020

Entropy production in master equations and Fokker-Planck equations: facing the coarse-graining and recovering the information loss

Daniel Maria Busiello, Amos Maritan

Systems operating out of equilibrium exchange energy and matter with the environment, thus producing entropy in their surroundings. Since the entropy production depends on the current flowing throughout the system, its quantification is affected by the lev ...

2019

Anisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of Nd2Zr2O7

We present thermodynamic and neutron-scattering measurements on the quantum spin ice candidate Nd2Zr2O7. The parametrization of the anisotropic exchange Hamiltonian is refined based on high-energyresolution inelastic neutron-scattering data together with t ...

2019

Correlation between site occupancies and spin-glass transition in skyrmion host Co10-x/2Zn10-x/2Mnx

Henrik Moodysson Rønnow, Jonathan White

Ternary alloys Co-Zn-Mn with beta-Mn-type structure exhibit helimagnetic order and skyrmion lattice states in a low-Mn-concentration region. Recent studies on Co10-x/2Zn10-x/2Mnx (CZM) revealed that the magnetic modulation period and the paramagnetic-to-he ...

AMER PHYSICAL SOC2019

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

Hydrodynamics of a periodically wind‑forced small and narrow stratified basin: a large‑eddy simulation experiment

Alfred Johny Wüest, Damien Bouffard, Hugo Nicolás Ulloa Sánchez, Oscar Rodrigo Sepúlveda Steiner, Serban George Constantinescu, Kyoung Sik Chang

We report novel results of a numerical experiment designed for examining the basin-scale hydrodynamics that control the mass, momentum, and energy distribution in a daily wind-forced, small thermally-stratified basin. For this purpose, the 3-D Boussinesq e ...

2018

Lattice-mediated magnetic order melting in TbMnO3

Fabrizio Carbone, Edoardo Baldini

Recent ultrafast magnetic-sensitive measurements [Johnson et al., Phys. Rev. B 92, 184429 (2015); Bothschafter et al., Phys. Rev. B 96, 184414 (2017)] have revealed a delayed melting of the long-range cycloid spin order in TbMnO 3 following photoexcitation ...

2018

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

New Insights into the Verwey Transition in Magnetite

Simone Borroni

Magnetite (Fe

_3

O

_4

) is the first magnetic material discovered by mankind. Despite thousands of years of applications, from the magnetic compass to data storage, and decades of basic research, it remains among the most fascinating materials for physicis ...

EPFL2018