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http://dx.doi.org/10.1080/20502877.2016.1238576 | DOI Listing |
J Phys Chem B
January 2025
Dipartimento di Fisica, Università di Trieste, Strada Costiera 11, 34151 Trieste, Italy.
We reassess the modeling of amorphous silica bilayers as a 2D classical system whose particles interact with an effective pairwise potential. We show that it is possible to reparametrize the potential developed by Roy, Heyde, and Heuer to quantitatively match the structural details of the experimental samples. We then study the glassy dynamics of the reparametrized model at low temperatures.
View Article and Find Full Text PDFEur Spine J
January 2025
Department of Orthopedic Surgery, SMG-SNU Boramae Medical Center, 39 Boramae-ro 5-gil 20, Dongjak- Gu, Seoul, 07061, Korea.
Phys Chem Chem Phys
November 2024
Plasmonics and Perovskite Laboratory, Department of Materials Science and Engineering, IIT Kanpur, UP 208016, India.
Oxides are considered as promising thermoelectric materials due to their excellent thermal and chemical stability at elevated temperatures. However, their thermoelectric performances are hindered by high thermal conductivity due to the relatively simple structure compared to the layered or cage-like structure of intermetallics and chalcogenides. In this study, we have successfully crafted a novel cobaltate-based high-entropy oxide perovskite, (BaSrCaLaNa)CoO (BSCLN), based on detailed thermodynamic calculation.
View Article and Find Full Text PDFJ Phys Chem B
November 2024
Department of Materials Science, University of Illinois, Urbana, Illinois 61801, United States.
We analyze in depth the Elastically Collective Nonlinear Langevin Equation theory of activated dynamics in metastable liquids to establish that the predicted inter-relationships between the alpha relaxation time, local cage and collective elastic barriers, dynamic localization length, and shear modulus are causally related within the theory to the medium range order (MRO) static correlation length. The latter grows exponentially with density for metastable hard sphere fluids and as a nonuniversal inverse power law with temperature for supercooled liquids under isobaric conditions. The physical origin of predicted connections between the alpha time and other metrics of cage order and the thermodynamic inverse dimensionless compressibility is fully established.
View Article and Find Full Text PDFEur Biophys J
November 2024
Department of Physics, Faculty of Science, Marmara University, Istanbul, 34722, Türkiye.
Lignin, one of the most abundant biopolymers on Earth, is of great research interest due to its industrial applications including biofuel production and materials science. The structural composition of lignin plays an important role in shaping its properties and functionalities. Notably, lignin exhibits substantial compositional diversity, which varies not only between different plant species but even within the same plant.
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