Due to their conceptual and mathematical simplicity, Erdös-Rényi or classical random graphs remain as a fundamental paradigm to model complex interacting systems in several areas. Although condensation phenomena have been widely considered in complex network theory, the condensation of degrees has hitherto eluded a careful study. Here we show that the degree statistics of the classical random graph model undergoes a first-order phase transition between a Poisson-like distribution and a condensed phase, the latter characterized by a large fraction of nodes having degrees in a limited sector of their configuration space. The mechanism underlying the first-order transition is discussed in light of standard concepts in statistical physics. We uncover the phase diagram characterizing the ensemble space of the model, and we evaluate the rate function governing the probability to observe a condensed state, which shows that condensation of degrees is a rare statistical event akin to similar condensation phenomena recently observed in several other systems. Monte Carlo simulations confirm the exactness of our theoretical results.
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http://dx.doi.org/10.1103/PhysRevE.100.012305 | DOI Listing |
J Chem Inf Model
January 2025
Central European Institute of Technology, Masaryk University, Kamenice 5, CZ-62500 Brno, Czech Republic.
Understanding the molecular mechanisms of pore formation is crucial for elucidating fundamental biological processes and developing therapeutic strategies, such as the design of drug delivery systems and antimicrobial agents. Although experimental methods can provide valuable information, they often lack the temporal and spatial resolution necessary to fully capture the dynamic stages of pore formation. In this study, we present two novel collective variables (CVs) designed to characterize membrane pore behavior, particularly its energetics, through molecular dynamics (MD) simulations.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA.
How condensed-matter simulations depend on the number of molecules being simulated (N) is sometimes itself a valuable piece of information. Liquid crystals provide a case in point. Light scattering and 2d-IR experiments on isotropic-phase samples display increasingly large orientational fluctuations ("pseudo-nematic domains") as the samples approach their nematic phase.
View Article and Find Full Text PDFMaterials (Basel)
December 2024
Institute of Polymer and Dye Technology, Faculty of Chemistry, Lodz University of Technology, Stefanowskiego Street 16, 90-537 Lodz, Poland.
In recent years, the search for more sustainable fillers for elastomeric composites than silica and carbon black has been underway. In this work, silanized starch was used as an innovative filler for elastomeric composites. Corn starch was chemically modified by silanization (with n-octadecyltrimethoxysilane) via a condensation reaction to produce a hydrophobic starch.
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December 2024
Department of Dental Sciences, Faculty of Medicine, University of Liege, Liege, BEL.
Background Fracture of nickel-titanium (Ni-Ti) instruments in root canals is commonly associated with compromised outcomes in endodontic treatment. There is no single, universally accepted approach for managing this complication. The objective of this study is to evaluate the effectiveness of an Nd: YAP laser-assisted protocol in removing fractured Ni-Ti files in teeth with minimal root curvature (less than 15 degrees).
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