We present a rigorous approach, based on the concept of continuous thermomajorization, to algorithmically characterize the full set of energy occupations of a quantum system accessible from a given initial state through weak interactions with a heat bath. The algorithm can be deployed to solve complex optimization problems in out-of-equilibrium setups and it returns explicit elementary control sequences realizing optimal transformations. We illustrate this by finding optimal protocols in the context of cooling, work extraction, and catalysis. The same tools also allow one to quantitatively assess the role played by memory effects in the performance of thermodynamic protocols. We obtained exhaustive solutions on a laptop machine for systems with dimension d≤7, but with heuristic methods one could access much higher d.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1103/PhysRevLett.129.040602 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, United States.
As the energy density of lithium-ion batteries (LIBs) increases, the shortened cycle life and the increased safety hazards of LIBs are drawing increasing concerns. To address such challenges, a series of localized high-concentration electrolytes (LHCEs) based on a solvating-solvent mixture of tetramethylene sulfone and trimethyl phosphate and a high flash-point diluent 1H,1H,5H-octafluoropentyl 1,1,2,2-tetrafluoroethyl ether were designed. The LHCEs exhibited nonflammability and greatly suppressed heat release at elevated temperatures, which would potentially improve the safety performance of the LIBs.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, University of British Columbia, Vancouver, British Columbia V6T 1Z1, Canada.
We present an algorithm that combines quantum scattering calculations with probabilistic machine-learning models to predict quantum dynamics rate coefficients for a large number of state-to-state transitions in molecule-molecule collisions much faster than with direct solutions of the Schrödinger equation. By utilizing the predictive power of Gaussian process regression with kernels, optimized to make accurate predictions outside of the input parameter space, the present strategy reduces the computational cost by about 75%, with an accuracy within 5%. Our method uses temperature dependences of rate coefficients for transitions from the isolated states of initial rotational angular momentum j, determined via explicit calculations, to predict the temperature dependences of rate coefficients for other values of j.
View Article and Find Full Text PDFHeliyon
January 2025
Transmission Electronic Microscopy Laboratory, Electronic Microscopy Unit, Department of Biology, University of Cauca, Popayán, 190002, Colombia.
A green methodology for the synthesis of carbon quantum dots (CQDs) from coffee husk without the use of any toxic solvents is proposed in this work. Sonochemical exfoliation of biochar, obtained from the thermal carbonization of coffee husk (from a certified coffee seeds) at low temperature in an air-restricted atmosphere, is described as an alternative procedure for the sustainable production of CQDs. The synthesized CQDs exhibited blue fluorescence with a strong maximum emission band at 410 nm when excited at a maximum absorption wavelength of 330 nm.
View Article and Find Full Text PDFMacromol Rapid Commun
January 2025
State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Renmin Street 5625, Changchun, 130022, China.
The demand for insulating materials with superior dielectric properties has increased. Among these materials, polymers containing cyclic structure including cyclic olefin copolymer (COC) and cyclic olefin polymer (COP) stand out because of their excellent dielectric properties originating from the pure hydrocarbon structure. Introducing fluorine into polymers is one efficient strategy for optimizing the dielectric and the related important properties.
View Article and Find Full Text PDFSci Rep
January 2025
Chemistry Department, Faculty of Science, Menoufia University, Shibin El-Kom, 32511, Egypt.
In this work, microalgae-based zinc oxide nanoparticles loaded with electrospun polyvinyl alcohol (PVA)/sodium alginate (SA) nanofibers were fabricated by electro-spinner. PVA/SA fibrous mats were crosslinked by citric acid, which enhanced their thermal stability and swelling behavior. Green-synthesized ZnO NPs were laboratory synthesized and characterized by FTIR, XRD, EDX, SEM, TEM and TGA analyses.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!