The large-deviation method can be used to study the measurement trajectories of open quantum systems. For optical arrangements this formalism allows to describe the long time properties of the (nonequilibrium) photon counting statistics in the context of a (equilibrium) thermodynamic approach defined in terms of dynamical phases and transitions between them in the trajectory space [J. P. Garrahan and I. Lesanovsky, Phys. Rev. Lett. 104, 160601 (2010)]. In this paper, we study the thermodynamic approach for fluorescent systems coupled to complex reservoirs that induce stochastic fluctuations in their dynamical parameters. In a fast modulation limit the thermodynamics corresponds to that of a Markovian two-level system. In a slow modulation limit, the thermodynamic properties are equivalent to those of a finite system that in an infinite-size limit is characterized by a first-order transition. The dynamical phases correspond to different intensity regimes, while the size of the system is measured by the transition rate of the bath fluctuations. As a function of a dimensionless intensive variable, the first and second derivatives of the thermodynamic potential develop an abrupt change and a narrow peak, respectively. Their scaling properties are consistent with a double-Gaussian probability distribution of the associated extensive variable.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1103/PhysRevE.82.061106 | DOI Listing |
J Chem Phys
January 2025
Department of Physics, Wesleyan University, Middletown, Connecticut 06459, USA.
Phase change materials such as Ge2Sb2Te5 (GST) are ideal candidates for next-generation, non-volatile, solid-state memory due to the ability to retain binary data in the amorphous and crystal phases and rapidly transition between these phases to write/erase information. Thus, there is wide interest in using molecular modeling to study GST. Recently, a Gaussian Approximation Potential (GAP) was trained for GST to reproduce Density Functional Theory (DFT) energies and forces at a fraction of the computational cost [Zhou et al.
View Article and Find Full Text PDFJ Chem Phys
January 2025
School of Chemistry, Beihang University, Beijing 100191, China.
Dynamic density functional theory (DDFT) is a fruitful approach for modeling polymer dynamics, benefiting from its multiscale and hybrid nature. However, the Onsager coefficient, the only free parameter in DDFT, is primarily derived empirically, limiting the accuracy and broad application of DDFT. Herein, we propose a machine learning-based, bottom-up workflow to directly extract the Onsager coefficient from molecular simulations, circumventing partly heuristic assumptions in traditional approaches.
View Article and Find Full Text PDFLangmuir
January 2025
Beijing National Laboratory for Molecular Sciences, Department of Polymer Science and Engineering and the Key Laboratory of Polymer Chemistry and Physics of the Ministry of Education, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.
Coacervation is generally treated as a liquid-liquid phase separation process and is controlled mainly by thermodynamics. However, kinetics could make a dominant contribution, especially in systems containing multiple interactions. In this work, using peptides of (XXLY)SSSGSS to tune the charge density and the degree of hydrophobicity, as well as to introduce secondary structures, we evaluated the effect of kinetics on biphasic coacervates formed by peptides with single-stranded oligonucleotides and quaternized dextran at varying pH values.
View Article and Find Full Text PDFJ Chem Eng Data
January 2025
LATA2M, Laboratoire de Thermodynamique Appliquée et Modélisation Moléculaire, University of Tlemcen, Post Office Box 119, Tlemcen 13000, Algeria.
The density (ρ), speed of sound (), and refractive index ( ) of ,-dimethylacetamide (DMA) with 1-butanol, 1-pentanol, furfural (FFL), or furfuryl alcohol (FA) as a function of composition and at = 293.15 to 323.15 K with an interval of 10 K and atmospheric pressure were measured.
View Article and Find Full Text PDFJ Microbiol Biotechnol
November 2024
Fatemah AlMalki, Biology Department, College of Science and Humanities- Al Quwaiiyah, Shaqra University, Al Quwaiiyah 19257, Saudi Arabia.
is a gram-negative, facultatively anaerobic bacterium typically found in the oropharynx and respiratory tract of humans. It is responsible for various infections, including head-and-neck infections, pericarditis, and abscesses of the deltoid, perirenal tissue, brain, and liver. Increasing antibiotic resistance requires urgent identification of novel drug targets to fight this bacterium.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!