Search results for " Coatings and Film"
showing 10 items of 2323 documents
Influence of the electrical interface properties on the rheological behavior of sonicated soy lecithin dispersions
2006
A significant effect, on the rheological behavior, due to the electrical properties of vesicles formed from concentrated soy lecithin dispersions have been studied in this work. The rheopectic behavior of concentrated soy lecithin dispersions (120, 150, 180, 210 and 240 g L−1) prepared by swelling–light sonication–freezing–unfreezing procedure is studied and it is specially emphasized on the transition under steady shear from lamellar phase of planar sheets to closed structures as multilamellar vesicles. Samples have been exposed to a different number of sonication cycles (from 0 to 100) and the changes in the hysteresis loop area, the apparent viscosity and the electrophoretic mobility hav…
Epitaxial growth of molybdenum on TiO2(110)
2003
Abstract Molybdenum was deposited on blue (i.e. non-stoichiometric) TiO2(1 1 0) surface using a very low deposition rate (less than 0.05 eqML min−1). The resulting deposit was investigated by means of X-ray photoelectron diffraction (XPD), LEED and XPS. Just after deposition, the film is mainly constituted of metallic molybdenum, contains oxygen homogeneously dispersed through the whole deposit and the broad features detected in XPD scans are interpreted as a coarse epitaxy between TiO2(1 1 0) surface and the (0 0 1) face of bcc molybdenum. The orientation relationship is: Mo(1 0 0)[0 0 1]//TiO2(1 1 0)[0 0 1]. After annealing the deposit at 673 K, XPD scans become sharper and epitaxy is ach…
Effect of kinks and concerted diffusion mechanisms on mass transport and growth on stepped metal surfaces
1997
Abstract We study the effect of kinks and concerted atomic mechanisms on diffusion processes relevant to metal-on-metal homoepitaxy on fcc metal surfaces vicinal to the fcc (100) direction. First, we carry out extensive finite-temperature molecular dynamics simulations based on the effective medium theory to search for diffusion mechanisms that dominate the mass transport perpendicular and parallel to step edges. Then, the energetics of these processes are studied by ground state calculations. Our results show that kinks play an important role for diffusion both across and along step edges. In particular, the combined effect of kinks and concerted exchange is found to be able to remove loca…
Dynamics of multilayer adsorption: a Monte Carlo simulation
1992
Abstract The growth of an adsorbed film at an initially empty surface which is exposed at time t = 0 to a gas is studied within the framework of a kinetic lattice gas model by Monte Carlo simulation. The model includes an attractive potential V ( z ) between adsorbed particles at distance z from the surface, V(z) = −A z 3 and a nearest-neighbor attractive interaction between the gas atoms. Several choices of the surface potential depth A , corresponding to different sequence of layering transitions, are considered. The Monte Carlo process assumes random evaporation/condensation events of gas atoms in adsorbed layers close to the surface, while surface diffusion is disregarded. For temperatu…
Enhanced Thermal Stability of Gold and Silver Nanorods by Thin Surface Layers
2007
Using in situ transmission electron microscopy, we find that a carbon shell governs the morphological transitions of gold and silver nanorods upon heating. Encapsulated Ag nanorods show a surprising nonuniform sublimation behavior starting from one side and leaving behind the shell. Uncovered gold nanorods transform their shape to spheres well below the bulk melting temperature through surface diffusion, which is prevented by a thin carbon shell.
The electronic and atomic structure of SrTiO3, BaTiO3, and PbTiO3(001) surfaces: Ab initio DFT/HF hybrid calculations
2005
In our first-principles study, the electronic properties of the (001) surfaces of three key perovskite crystals, namely SrTiO"3 (STO), BaTiO"3 (BTO), and PbTiO"3 (PTO), have been calculated by means of the density functional theory (DFT) using the exchange-correlation functional containing ''hybrid'' of the non-local Hartree-Fock (HF) exchange, DFT exchange, and Generalized Gradient Approximation (GGA) correlation functionals, commonly known as B3PW. Such a technique allows us to get the optical bulk band gap very close to experiment unlike previous calculations of perovskites. Special attention is paid to careful calculations of the surface rumpling and change of the distances between thre…
Competition between surface reaction and diffusion of gold deposited onto ZrTe3
2003
Abstract Surface reaction and diffusion of gold, deposited onto the (0 0 1) ZrTe 3 van der Waals (vdW) surface, is studied by transmission electron and scanning tunneling microscopy. It is shown that both processes compete at temperatures as low as room temperature. In case of diffusion the deposited gold mostly disappears from the surface and intercalates into the vdW gaps of the substrate. Residual unreacted gold agglomerates are rather mobile and are often displaced by the scanning tip along the [1 0 0] direction of the substrate. In case of reaction, which usually takes place at somewhat higher substrate temperatures, grains of Zr 3 Te 2 , AuTe 2 and/or Au 2 Te 3 are formed. Contrary to…
Thermal Flux through a Surface of n-Octane. A Non-equilibrium Molecular Dynamics Study
2004
We show using non-equilibrium molecular dynamics that there is local equilibrium in the surface when a two-phase fluid of n-octane is exposed to a large temperature gradient (10 8 K/m). The surface is defined according to Gibbs, and the transport across the surface is described with non-equilibrium thermodynamics. The structure of the surface in the presence of the gradient is the same as if the interface was in equilibrium, as measured by the variation across the surface of the pressure component that is parallel to the surface. The surface is in local equilibrium by this criterion and because the equation of state for the surface was unaltered by a large heat flux. The surface has a small…
The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods
2017
The inhibition of water and glycerol permeation via human aquaglyceroporin-3 (AQP3) by gold(iii) complexes has been studied by stopped-flow spectroscopy and, for the first time, its mechanism has been described using molecular dynamics (MD), combined with density functional theory (DFT) and electrochemical studies. The obtained MD results showed that the most effective gold-based inhibitor, anchored to Cys40 in AQP3, is able to induce shrinkage of pores preventing glycerol and water permeation. Moreover, the good correlation between the affinity of the Au(iii) complex to Cys binding and AQP3 inhibition effects was highlighted, while no influence of the different oxidative character of the c…
New frontiers in sustainable energy production and storage
2015
Evidently, one of the most effective ways to reduce CO2 emissions consists in the deployment of renewable energies, with the advantage of securing and expanding the energy supplies of a given country. The main problem that arises is due to the intermittent temporary character of many renewable resources like solar and wind. For this reason, it has been recently concluded that in case of high integration of renewables into the distribution grid (more than about 30% of the electricity mix), the implementation of energy storage systems together with smart grids is necessary. Therefore, renewable energies for large scale power production in country would usually require the availability of a su…