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. Using appropriate cage-relative correlation functions, which suppress the effect of Mermin-Wagner fluctuations, we highlight the presence of two well-defined Arrhenius regimes separated by a narrow crossover region, which we connect to the thermodynamic anomalies and changes in the local structure. We find that the bond-orientational order grows steadily below the crossover temperature and is associated with transient crystalline domains of nanometric size. These findings raise fundamental questions about the nature of the glass structure in two dimensions and provide guidelines to interpret the experimental data.
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http://dx.doi.org/10.1021/acs.jpcb.4c06881 | 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 PDFNat Mater
January 2025
Department of Fundamental Engineering, Institute of Industrial Science, The University of Tokyo, Tokyo, Japan.
Supercooled liquids display sluggish dynamics, often attributed to their structural characteristics, yet the underlying mechanism remains elusive. Here we conduct numerical investigations into the structure-dynamics relationship in model glass-forming liquids, with a specific focus on an elementary particle rearrangement mode known as the 'T1 process'. We discover that the ability of a T1 process to preserve glassy structural order before and after is pivotal towards determining a liquid's fragility-whether it exhibits super-Arrhenius-like or Arrhenius-like behaviour.
View Article and Find Full Text PDFPolymers (Basel)
December 2024
Faculty of Materials Science and Engineering, "Gheorghe Asachi" Technical University of Iași, Blvd. Dimitrie Mangeron 71A, 700050 Iasi, Romania.
The paper starts by describing the manufacturing process of cups thermoformed from extruded foils of 80% recycled PET (80r-PET), which comprises heating, hot deep drawing and cooling. The 80r-PET foils were heated up to 120 °C, at heating rates of the order of hundreds °C/min, and deep drawn with multiple punchers, having a depth-to-width ratio exceeding 1:1. After puncher-assisted deformation, the cups were air blown away from the punchers, thus being "frozen" in the deformed state.
View Article and Find Full Text PDFTalanta
January 2025
Department of Chemistry, State University of Ponta Grossa, Ponta Grossa, CEP 84030-900, PR, Brazil. Electronic address:
The challenge of increasing food production while maintaining environmental sustainability can be addressed by using biofertilizers such as Azospirillum, which can enhance plant growth and colonize more than 100 plant species. The success of this biotechnology depends on the amount of plant growth-promoting bacteria associated with the plant during crop development. However, monitoring bacterial population dynamics after inoculation requires time-consuming, laborious, and costly procedures.
View Article and Find Full Text PDFMacromolecules
December 2024
Department οf Physics, University οf Ioannina, Ioannina 45110, Greece.
We report the pressure-temperature (-) phase diagram, the origin of the subglass dynamics, and the crystallization kinetics of the biobased polyester poly(ethylene 2,5-furanoate) (PEF), through dielectric spectroscopy (DS) measurements performed as a function of temperature and pressure. The phase diagram comprises four different "phases"; glass, quenched melt, crystalline, and normal melt. The cold crystallization temperature, , increases linearly with pressure (according to the Clausius-Clapeyron equation) as / ∼ 240 K·GPa and is accompanied by a small change in specific volume (Δ = 0.
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