Search results for "Spheres"
showing 10 items of 329 documents
Dislocation interaction with C in α-Fe: a comparison between atomic simulations and elasticity theory
2008
International audience; The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the Embedded Atom Method (EAM) and molecular statics simulations. Results of atomic simulations are compared with predictions of elasticity theory. It is shown that a quantitative agreement can be obtained between both modelling techniques as long as anisotropic elastic calculations are performed and both the dilatation and the tetragonal distortion induced by the C interstitial are considered. Using isotropic elasticity allows to predict the main trends of the interaction and considering only the interstitial dilatatio…
A one-pot method to enhance dissolution rate of low solubility drug molecules using dispersion polymerization in supercritical carbon dioxide
2009
The surfactant assisted polymerization of 1-vinyl-2-pyrrolidone in supercritical carbon dioxide in the presence of Piroxicam, selected as a model of a low aqueous solubility drug, was studied in order to prepare in a single step a polymeric composite to enhance the rate of dissolution of the pharmaceutical compound. Reactive entrapping was carried out at 65 degrees C in the P range 21-38MPa. Under proper operative conditions we obtained the composite under the form of sub-micron spherical particles with relatively narrow particle size distribution. Drug loadings higher than 12% (w/w) were obtained and XRD and Raman spectroscopy suggest that the anti-inflammatory agent is dispersed in the ma…
Process parameters of microsphere preparation based on propylene carbonate emulsion-precursors.
2020
This study aimed for a detailed understanding of the impact of different process parameters involved during celecoxib-loaded microsphere preparation based on propylene carbonate emulsion-precursors.Microspheres were prepared by a modified emulsification-solvent extraction method. Performed investigations included polymer solubility and viscosity, microsphere size, morphology and stability, propylene carbonate content as well as celecoxib solid state, content and release.Rough-walled round microspheres with sizes between 21 µm and 122 µm and an internal sponge-like structure filled with residual propylene carbonate (content between 1.9 ± 0.1% and 6.7 ± 0.5% w/w) were obtained. Encapsulation …
Crystallizing polystyrene microgel colloids
2007
Spherical microgel particles of sufficiently high degree of internal cross-linking and swollen in a good solvent in many respects behave quite similarly to hard-sphere colloids. Due to solvent uptake they can be refractive-index-matched and density-matched in suitable organic solvents. We present preliminary measurements of the crystallization kinetics of 1:10 cross-linked polystyrene microgel particles. We measured Bragg and small-angle light scattering of the solidifying shear melt. Two different scattering patterns, a set of Debye-Scherrer rings and a second ring pattern at small angles could be observed. We check for similarities and differences compared to previously investigated collo…
Solvent hydrodynamics speed up crystal nucleation in suspensions of hard spheres
2014
We present a computer simulation study on the crystal nucleation process in suspensions of hard spheres, fully taking into account the solvent hydrodynamics. If the dynamics of collodial crystallization were purely diffusive, the crystal nucleation rate densities would drop as the inverse of the solvent viscosity. However, we observe that the nucleation rate densities do not scale in this way, but are enhanced at high viscosities. This effect might explain the large discrepancy between the nuclation rate densities obtained by simulation and experiment that have reported in the literature so far.
Precursor-mediated crystallization process in suspensions of hard spheres.
2010
We report on a large scale computer simulation study of crystal nucleation in hard spheres. Through a combined analysis of real and reciprocal space data, a picture of a two-step crystallization process is supported: First dense, amorphous clusters form which then act as precursors for the nucleation of well-ordered crystallites. This kind of crystallization process has been previously observed in systems that interact via potentials that have an attractive as well as a repulsive part, most prominently in protein solutions. In this context the effect has been attributed to the presence of metastable fluid-fluid demixing. Our simulations, however, show that a purely repulsive system (that ha…
Classical nucleation theory for the crystallization kinetics in sheared liquids
2019
While statistical mechanics provides a comprehensive framework for the understanding of equilibrium phase behavior, predicting the kinetics of phase transformations remains a challenge. Classical nucleation theory (CNT) provides a thermodynamic framework to relate the nucleation rate to thermodynamic quantities such as pressure difference and interfacial tension through the nucleation work necessary to spawn critical nuclei. However, it remains unclear whether such an approach can be extended to the crystallization of driven melts that are subjected to mechanical stresses and flows. Here, we demonstrate numerically for hard spheres that the impact of simple shear on the crystallization rate…
Cancer phototherapy in living cells by multiphoton release of doxorubicin from gold nanospheres
2020
Doxorubicin is a widely used but toxic cancer chemotherapeutic agent. In order to localize its therapeutic action and minimize side effects, it was covalently conjugated to peptide-encapsulated gold nanospheres by click-chemistry and then photo-released in a controlled fashion by a multiphoton process. Selective treatment of a chosen region in a 2D layer of U2Os cancer cells is shown by driving photorelease with 561 nm irradiation at mu W power. These results show promising directions for the development of practical applications based on nanocarriers that can ensure drug delivery with high spatial and temporal control.
Seedless assembly of colloidal crystals by inverted micro-fluidic pumping
2018
We propose a simple seedless approach to assemble millimeter sized monolayer single colloidal crystals with desired orientations at predetermined locations on an unstructured charged substrate. This approach utilizes the millimeter-ranged fluid flow on the bottom glass substrate induced by an ion exchange resin (IEX) fixed on top of the closed sample cell. This fluid flow increases with decreasing height of the sample cell and increasing radius R of the IEX. For a single inverted pump, millimeter sized monolayer single crystals of hexagonal close packing can be obtained. For two closely spaced (D ~ 4R) pumps, the formed crystals have a predefined orientation along the line connecting the tw…
Electronic polarizability of small sodium clusters.
1986
Abstract : Small sodium clusters consisting of 1 to 40 atoms are described as spheres of interacting homogeneous electron gas (jellium model). The static electronic polarizability is calculated using self consistent density functional methods. An excellent agreement with recent experimental results is observed.