Search results for " glass transition."
showing 8 items of 8 documents
Calorimetric study of myoglobin embedded in trehalose-water matrixes
2009
It has been suggested that in ‘dry’ protein–trehalose–water systems, water–mediated hydrogen bond network, whose strength increases by drying, anchors the protein to its surroundings. To further characterize this effect, we performed a DSC study on low-water myoglobin–trehalose systems. The denaturation temperature resulted to increase by decreasing hydration, and linearly correlated to the glass transition temperature of both the ternary protein–water–trehalose and the binary water–trehalose systems. Further measurements are being performed to investigate eventual differences among different saccharides.
Event-Driven Simulation of the Dynamics of Hard Ellipsoids
2008
We introduce a novel algorithm to perform event-driven simulations of hard rigid bodies of arbitrary shape, that relies on the evaluation of the geometric distance. In the case of a monodisperse system of uniaxial hard ellipsoids,we perform molecular dynamics simulations varying the aspect-ratio X0 and the packing fraction phi. We evaluate the translational Dtrans and the rotational Drot diffusion coefficient and the associated isodiffusivity lines in the phi-X0 plane. We observe a decoupling of the translational and rotational dynamics which generates an almost perpendicular crossing of the Dtrans and Drot isodiffusivity lines. While the self intermediate scattering function exhibits stret…
BSA Aggregation in Trehalose-Water Systems
2010
Introduction Recent studies [1] on ternary protein-trehalose-water samples have shown that the protein thermal denaturation temperature is linearly correlated with the glass transition temperature of the system, despite the quite large temperature difference between the two processes. In such studies it is stated that the collective, long range properties of the matrix that regulate the glass transition are strictly correlated with local features on which the denaturation of the protein depends. In order to ascertain whether an analogous correlation exists between the effects of trehalose on the protein’s aggregation process and the glass transition temperature of the system, we performed L…
Simulation of the dynamics of hard ellipsoids
2008
We study a system of uniaxial hard ellipsoids by molecular dynamics simulations, changing both the aspect-ratio X-0 (X-0 = a/b, where a is the length of the revolution axis and b is the length of the two other axes) and the packing fraction phi. We calculate the translational and rotational mean squared displacements, the translational D-trans and the rotational D-rot diffusion coefficients and the associated isodiffusivity lines in the phi - X-0 plane. For the first time, we characterize the cage effect through the logarithmic time derivative of log and log . These quantities exhibit a minimum if the system is supercooled and we show that, consistently with our previous findings, for large…
Multifunctional properties of nanocomposites made by 1D and 2D graphene based fillers
2015
High aspect ratio graphene based fillers with different dimensionalities showed the ability to greatly modify rheological, mechanical, thermal and electrical properties of polymers at very low content. In this work, the effect of filler dimensionality on the multifunctional properties of an epoxy matrix reinforced by both carbon nanotubes (1D) and graphite nanoplatelets (2D) have been investigated across the percolation region. Keywords-- Carbon nanotube, Graphite nanoplatelet, nanocomposites, mechanical properties, ...
Experimental evidence for a liquid-liquid crossover in deeply cooled confined water.
2014
International audience; In this work we investigate, by means of elastic neutron scattering, the pressure dependence of mean square displacements (MSD) of hydrogen atoms of deeply cooled water confined in the pores of a three-dimensional disordered SiO 2 xerogel; experiments have been performed at 250 and 210 K from atmospheric pressure to 1200 bar. The " pressure anomaly " of supercooled water (i.e., a mean square displacement increase with increasing pressure) is observed in our sample at both temperatures; however, contrary to previous simulation results and to the experimental trend observed in bulk water, the pressure effect is smaller at lower (210 K) than at higher (250 K) temperatur…
Dynamics of nanoparticles in a supercooled liquid
2008
The dynamic properties of nanoparticles suspended in a supercooled glass forming liquid are studied by x-ray photon correlation spectroscopy. While at high temperatures the particles undergo Brownian motion the measurements closer to the glass transition indicate hyperdiffusive behavior. In this state the dynamics is independent of the local structural arrangement of nanoparticles, suggesting a cooperative behavior governed by the near-vitreous solvent.
Effect of Core–Shell Rubber Nanoparticles on the Mechanical Properties of Epoxy and Epoxy-Based CFRP
2022
This research was funded by M-Era.Net project MERF “Matrix for carbon reinforced epoxy laminates with reduced flammability” grant No. 1.1.1.5/ERANET/20/04 from the Latvian State Education Development Agency and M-Era.Net project “EPIC—European Partnership for Improved Composites“ funded by grant No. TH06020001. A.S., K.S. and A.Z. are grateful to funding received from the European Union Horizon 2020 Framework program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.