We explore the relationship between a machine-learned structural quantity (softness) and excess entropy in simulations of supercooled liquids. Excess entropy is known to scale well the dynamical properties of liquids, but this quasi-universal scaling is known to breakdown in supercooled and glassy regimes. Using numerical simulations, we test whether a local form of the excess entropy can lead to predictions similar to those made by softness, such as the strong correlation with particles' tendency to rearrange. In addition, we explore leveraging softness to compute excess entropy in the traditional fashion over softness groupings. Our results show that the excess entropy computed over softness-binned groupings is correlated with activation barriers to rearrangement.
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Acc Chem Res
January 2025
School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China.
ConspectusSymmetry is a pervasive phenomenon spanning diverse fields, from art and architecture to mathematics and science. In the scientific realms, symmetry reveals fundamental laws, while symmetry breaking─the collapse of certain symmetry─is the underlying cause of phenomena. Research on symmetry and symmetry breaking consistently provides valuable insights across disciplines, from parity violation in physics to the origin of homochirality in biology.
View Article and Find Full Text PDFElectromagn Biol Med
January 2025
Department of Mathematics, University of Gour Banga, Malda, India.
Aging Dis
January 2025
The Key Laboratory of Geriatrics, Beijing Institute of Geriatrics, Institute of Geriatric Medicine, Chinese Academy of Medical Sciences, Beijing Hospital/National Center of Gerontology of National Health Commission, Beijing, China.
Increased entropy is a common cause of disease and aging. Lifespan entropy is the overall increase in disorder caused by a person over their lifetime. Aging leads to the excessive production of reactive oxygen species (ROS), which damage the antioxidant system and disrupt redox balance.
View Article and Find Full Text PDFJ Colloid Interface Sci
January 2025
Key Laboratory of Advanced Catalytic Materials and Technology, Advanced Catalysis and Green Manufacturing Collaborative Innovation Center, Changzhou University, Changzhou, Jiangsu Province 213164, China. Electronic address:
Despite the advancement of the Pt-catalyzed hydrogen evolution reaction (HER) through oxophilic metal-hydroxide surface hybridization, its stability in acidic solutions remains unsatisfactory. This is primarily due to excessive aggregation of active hydrogen, which hinders subsequent hydrogen desorption, coupled with the poor operational stability of metal hydroxides. In this study, we have designed Pt nanoparticles-modified NiFeCoCuCr high-entropy layered double hydroxides (Pt/HE-LDH) that exhibit exceptional catalytic activity toward HER in acidic electrolytes.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Laboratoire Softmat, UMR au CNRS no 5623, Université Paul Sabatier, F-31062 Toulouse, France.
Simulations on an ODE-based model shows that there are many common points between Viedma deracemization and chiral self-assemblies of achiral building blocks towards chiral nanoparticles. Both systems occur in a closed system with energy exchange but no matter exchange with the surroundings and show parallel reversible growth mechanisms which coexist with an irreversible cluster breaking (grinding). The various mechanisms of growth give rise to the formation of polymerization/depolymerization cycles while the consecutive transformation of achiral monomer into chiral cluster results into an indirect enantioselective autocatalysis.
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