The computational efficiency of stochastic simulation algorithms is notoriously limited by the kinetic trapping of the simulated trajectories within low energy basins. Here we present a new method that overcomes kinetic trapping while still preserving exact statistics of escape paths from the trapping basins. The method is based on path factorization of the evolution operator and requires no prior knowledge of the underlying energy landscape. The efficiency of the new method is demonstrated in simulations of anomalous diffusion and phase separation in a binary alloy, two stochastic models presenting severe kinetic trapping.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1103/PhysRevLett.113.230601 | DOI Listing |
Langmuir
January 2025
Department of Physics, Chair of Biophysics, Friedrich-Alexander-Universität Erlangen-Nürnberg, Henkestrasse 91, Erlangen 92054, Germany.
The term "aerophilic surface" is used to describe superhydrophobic surfaces in the Cassie-Baxter wetting state that can trap air underwater. To create aerophilic surfaces, it is essential to achieve a synergy between a low surface energy coating and substrate surface roughness. While a variety of techniques have been established to create surface roughness, the development of rapid, scalable, low-cost, waste-free, efficient, and substrate-geometry-independent processes for depositing low surface energy coatings remains a challenge.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States.
Lithium-sulfur (Li-S) batteries, with their superior energy densities, are emerging as promising successors to conventional lithium-ion batteries. However, their widespread adoption is hindered by challenges such as the shuttle effect of polysulfides, which affects discharge capacity and cycling stability. This study explores the transformative potential of atomic layer deposition (ALD) of AlO on commercial PP/PE/PP separators (Celgard), combined with the use of UV ozone exposure to enhance ALD nucleation on the separator surface, to address these challenges.
View Article and Find Full Text PDFInorg Chem
January 2025
Institute of Low Temperature and Structure Research, Polish Academy of Science, ul. Okólna 2, Wrocław 50-422, Poland.
Research is ongoing to develop new phosphors capable of emitting light across a broad spectrum, ranging from the ultraviolet (UV) to the infrared region, with potential applications in diverse fields. Using the method of solid-state reactions, a series of LiBaF:Pr phosphors were obtained, and their luminescent properties in the UV-visible range were studied. The photon cascade emission (PCE) phenomenon has been observed under excitation of the 4f5d bands of Pr.
View Article and Find Full Text PDFAdv Mater
January 2025
Department of Chemistry, University of Liverpool, Liverpool, L69 7ZD, UK.
The prediction of gelation is an important target, yet current models do not predict any post-gel properties. Gels can be formed through the self-assembly of many molecules, but close analogs often do not form gels. There has been success using a number of computational approaches to understand and predict gelation from molecular structures.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Science and Technology of China, Chemistry, Jinzhai Road 96, 230026, Hefei, CHINA.
Solar-driven CO2 reduction to ethanol is extremely challenging due to the limited efficiency of charge separation, sluggish kinetics of C-C coupling, and unfavorable formation of oxygenate intermediates. Here, we elaborately design a red polymer carbon nitride (RPCN) consisting of S-N and Cu-N4 dual active sites (Cu/S-RPCN) to address this challenge, which achieves an impressive ethanol evolution rate of 50.4 µmol g-1 h-1 with 99.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!