We investigate the dynamics of soft sphere liquids through computer simulations for spatial dimensions from d=3 to 8, over a wide range of temperatures and densities. Employing a scaling of density-temperature-dependent relaxation times, we precisely identify the density ϕ_{0}, which marks the ideal glass transition in the hard sphere limit, and a crossover from sub- to super-Arrhenius temperature dependence. The difference between ϕ_{0} and the athermal jamming density ϕ_{J}, small in 3 and 4 dimensions, increases with dimension, with ϕ_{0}>ϕ_{J} for d>4. We compare our results with recent theoretical calculations.
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http://dx.doi.org/10.1103/PhysRevLett.131.168202 | DOI Listing |
Luminescence
January 2025
Vlokh Institute of Physical Optics, Ivan Franko National University of Lviv, Lviv, Ukraine.
Spectroscopic properties of Tb-doped and Tb-Ag codoped lithium tetraborate (LTB) glasses with LiBO (or LiO-2BO) composition are investigated and analysed using electron paramagnetic resonance (EPR), optical absorption, photoluminescence (PL) and photoluminescence excitation (PLE) spectra, PL decay kinetics and absolute quantum yield (QY) measurements. PL spectra of the investigated glasses show numerous narrow emission bands corresponding to the D → F (J = 6-0) and D → F (J = 5-3) transitions of Tb (4f) ions. The most intense PL band of Tb ions at 541 nm (D → F transition) is characterised by a lifetime slightly exceeding 2.
View Article and Find Full Text PDFAAPS PharmSciTech
January 2025
Xiangya School of Pharmaceutical Science, Central South University, Changsha, 410006, Hunan, China.
Acrylic pressure-sensitive adhesives (PSAs) are widely applied in transdermal drug delivery systems (TDDS). However, the molecular mechanisms underlying the effect of functional groups of PSAs on drug release and transdermal permeation properties remain insufficiently clear. In this study, we investigated the effect of acrylic PSAs' functional groups on the in vitro release and transdermal permeation properties of a model drug guanfacine (GFC).
View Article and Find Full Text PDFJ Phys Chem B
January 2025
MaterialX LTD, Bristol BS4 1NF, U.K.
A challenging topic in materials engineering is the development of numerical models that can accurately predict material properties with atomistic accuracy, matching the scale and level of detail achieved by experiments. In this regard, coarse-grained (CG) molecular dynamics (MD) simulations are a popular method for achieving this goal. Despite the efforts of the scientific community, a reliable CG model with quasi-atomistic accuracy has not yet been fully achieved for the design and prototyping of materials, especially polymers.
View Article and Find Full Text PDFPolymers (Basel)
December 2024
Department of Applied Mathematics, Materials Science and Engineering and Electronic Technology, Universidad Rey Juan Carlos, Calle Tulipán s/n, 28933 Móstoles, Spain.
This work investigates the sustainable reuse of expanded polystyrene (EPS) waste through a multi-cycle physical recycling process involving dissolution in acetone and subsequent manufacturing via Direct Ink Write (DIW) 3D printing and casting. Morphology and mechanical properties were evaluated as a function of the manufacturing technique and number of dissolution cycles. Morphological analysis revealed that casted specimens better replicated the target geometry, while voids in 3D-printed specimens aligned with the printing direction due to rapid solvent evaporation.
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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.
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