Irreversible Boltzmann samplers in dense liquids: Weak-coupling approximation and mode-coupling theory
- 1. Laboratoire Matière et Systèmes Complexes (MSC), Université Paris Cité and CNRS (UMR 7057), 75013 Paris, France
- 2. Laboratoire Charles Coulomb (L2C), Université de Montpellier and CNRS (UMR 5221), 34095 Montpellier, France
- 3. Gulliver, UMR CNRS 7083, ESPCI Paris, PSL Research University, 75005 Paris, France
- 4. Department of Chemistry, Colorado State University, Fort Collins, Colorado 80523, USA
Description
Exerting a nonequilibrium drive on an otherwise equilibrium Langevin process brings the dynamics out of equilibrium but can also speed up the approach to the Boltzmann steady state. Transverse forces are a minimal framework to achieve dynamical acceleration of the Boltzmann sampling. We consider a simple liquid in three space dimensions subjected to additional transverse pairwise forces, and quantify the extent to which transverse forces accelerate the dynamics. We first explore the dynamics of a tracer in a weak coupling regime describing high temperatures. The resulting acceleration is correlated with a monotonous increase of the magnitude of odd transport coefficients (mobility and diffusivity) with the amplitude of the transverse drive. We then develop a nonequilibrium version of the mode-coupling theory able to capture the effect of transverse forces, and more generally of forces created by additional degrees of freedom. Based on an analysis of transport coefficients, both odd and longitudinal, both for the collective modes and for a tracer particle, we find a systematic acceleration of the dynamics. Quantitatively, the gain, which is guaranteed throughout the ergodic phase, turns out to be a decreasing function of temperature beyond a temperature crossover, in particular as the glass transition is approached. Our theoretical results are in good agreement with available numerical results.
Additional details
Identifiers
- DOI
- 10.1103/PhysRevE.110.034604;
- arXiv
- arXiv:2404.14863;
- Crossref Funder ID
- 10.13039/501100001665; 10.13039/100000001;
Publishing Information
- Journal Title
- Physical Review E
- Journal Volume
- 110
- Journal Issue
- 3
- Journal Page Range
- 28 pgs.
- ISSN
- 1089-3787
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ACCELERATION; APPROXIMATIONS; BOLTZMANN EQUATION; CAPTURE; COUPLING; DEGREES OF FREEDOM; DYNAMICS; EQUILIBRIUM; ERGODIC HYPOTHESIS; GAIN; GLASS; LIQUIDS; MOBILITY; STEADY-STATE CONDITIONS; TEMPERATURE DEPENDENCE; TRANSPORT THEORY
- Descriptors DEC
- AMPLIFICATION; CALCULATION METHODS; DIFFERENTIAL EQUATIONS; EQUATIONS; FLUIDS; HYPOTHESIS; INTEGRO-DIFFERENTIAL EQUATIONS; KINETIC EQUATIONS; MECHANICS; PARTIAL DIFFERENTIAL EQUATIONS
Optional Information
- Copyright
- ©2024 American Physical Society
- Contract/Grant/Project number
- THEMA AAPG2020; CHE 2154241
- Notes
- Record automatically processed
- Funding organization
- Agence Nationale de la Recherche; National Science Foundation