Simulations of passivation phenomena based on discrete lattice gas automata

We present simulation results for a simple lattice gas cellular automata model of passivation. The lattice sites representing the corrosion product are produced at the corroding surface and diffuse executing a random walk. Asymmetric simple exclusion rules of the random walk account for an attractive potential between the corrosion product particles. The particles can aggregate and when sufficiently numerous form a compact phase on the corroding surface. The model predicts a transition from the active to passive state when increasing the reactivity of the surface. The transition is characterized by a sudden increase in the surface coverage of the corrosion product interpreted as a passive layer formation. The layer blocks contact of the metal surface with the environment and reduces the corrosion rate. The model reproduces the known paradox of passivity—the surface must be reactive enough for the layer to form. A further increase in the bare reactivity reduces largely the observed reaction rate. The simulations yield information on the morphological changes of the surface layer before and after the transition. In terms of the corrosion current, the active state is described by the current increase with the polarizing potential according to the Tafel law while in the passive state the current is independent of the anodic potential. Our simple model reproduces principal features of passivation.     

The modification of graphene with alcohols and its use in shape memory polyurethane composites

Graphene prepared by the thermal reduction of graphite oxide was modified by reactions with methanol or 1‐butanol using aqueous HBF₄ solution as a catalyst. Results showed that the reaction created hydroxyl groups on the graphene and at the same time reduced the number of defects. Gravimetry, thermogravimetry, X‐ray photoelectron spectroscopy and Fourier transform infrared spectroscopy showed that the alcohols had reacted with epoxide groups on graphene. Raman spectroscopy showed that the defects in the graphene were repaired through other accompanying reactions. The reinforcing effect of graphene, observed in the tensile properties and the shape memory behavior of graphene/polyurethane composites, was increased when the graphene was modified with methanol. However, decreases in density and glass transition temperature were evident for the composites made with alcohol‐modified graphene. These results show that the newly created hydroxyl groups on graphene produce effective covalent bonds with the polyurethane chains of the matrix; however, the increased number of bonds restricts the rearrangement of the matrix molecules for dense packing. The covalent bonds between graphene and polyurethane chains enhanced shape recoverability and reduced the hysteresis brought about by repeated thermomechanical cycles. Copyright © 2012 Society of Chemical Industry     

The C-terminal domains of gammaS-crystallin pair about a distorted twofold axis

The 2-domain gammaS-crystallin, a highly conserved early evolutionaryoff-shoot of the gamma-crystallin family, is located in the water-richregion of eye lenses. The expressed C-terminal domain, gammaS-C, has beencrystallized and the 2.56 A X-ray structure determined. There are twodomains in the asymmetric unit which pair about a distorted twofold axis.One of the domains has an altered conformation in a highly conserved regionof the protein, the tyrosine corner. The distorted gammaS-C dimer ofdomains is compared with the highly symmetrical, equivalent recombinantdimer of C-terminal domains from gammaB- crystallin. Sequence changes closeto the interface, that distinguish gammaS from the other gamma-crystallins,are examined in order to evaluate their role in symmetrical domain pairing.     

Four-wave mixing between pump and signal in a distributed Raman amplifier

We observed experimentally four-wave mixing (FWM) between a 14xx-nm pump and a 15xx-nm signal in a forward-pumped distributed Raman amplifier (DRA) over 50 km of nonzero dispersion-shifted fiber with a zero dispersion wavelength of 1497 nm. The 100-mW pump Fabry-Perot (FP) spectra centered at 1440, 1450, and 1460 nm are reproduced via FWM around the single-wavelength probe signal around 1558, 1548, and 1538 nm, respectively. The suppression of DRA gain by about 2-3 dB was experimentally observed with peak FWM at minimum phase mismatching between two 14xx-nm FP pump wavelengths and two 15xx-nm signal wavelengths. This DRA gain suppression, together with the reproduced pump FP spectrum at 15xx-nm signal band, may limit the usefulness of the forward-pumped DRA, generating spectrally nonuniform FWM-induced noise floors and crosstalk in wavelength-division-multiplexed fiber-optic transmission systems.     

Microscopic Origin of Casimir-Polder Forces

We establish a general relation between dispersion forces. First, based on QED in causal media, leading-order perturbation theory is used to express both the single-atom Casimir-Polder and the two-atom van der Waals potentials in terms of the atomic polarizabilities and the Green tensor for the body-assisted electromagnetic field. Endowed with this geometry-independent framework, we then employ the Born expansion of the Green tensor together with the Clausius-Mosotti relation to prove that the macroscopic Casimir-Polder potential of an atom in the presence of dielectric bodies is due to an infinite sum of its microscopic many-atom van der Waals interactions with the atoms comprising the bodies. This theorem holds for inhomogeneous, dispersing, and absorbing bodies of arbitrary shapes and arbitrary atomic composition on an arbitrary background of additional magnetodielectric bodies.     

Mechanism of zeolite A nanocrystal growth from colloids at room temperature

The formation and growth of crystal nuclei of zeolite A from clear solutions at room temperature were studied with low-dose, high-resolution transmission electron microscopy in field emission mode and with in situ dynamic light scattering. Single zeolite A crystals nucleated in amorphous gel particles of 40 to 80 nanometers within 3 days at room temperature. The resulting nanoscale single crystals (10 to 30 nanometers) were embedded in the amorphous gel particles. The gel particles were consumed during further crystal growth at room temperature, forming a colloidal suspension of zeolite A nanocrystals of 40 to 80 nanometers. On heating this suspension at 80 degrees C, solution-mediated transport resulted in additional substantial crystal growth.     

Corrosion-passivation processes in a cellular automata based simulation study

A short survey of cellular automata based models for corrosion and passivation phenomena is given. Results of simulations based on the model of spatially separated anodic and cathodic reactions are presented for a cavity development from a point-like damage of a protective layer and from an initially flat unprotected surface. We show some new peculiar examples of the symmetry breaking in the cavity development. The results for the initially flat surface show roughening of the surface at the beginning of the corrosion process. After that, pit merging causes a resmoothing of the surface. An oscillatory behavior of the surface roughness is observed caused by a peninsula formation with subsequent island detachment. These results are obtained in 2D because of computational limitations. We plan simulations in 3D and point out the problems we encounter in their realization.     

量测水设备在我省加强灌溉农业三期WUA项目建设中的选型应用探讨

本文针对我省正在开展的加强灌溉农业三期WUA项目建设中量测水技术及设备引进选型进行了探讨,提出了初步设计思路.     

Experimental measurements of gold nanoparticle nucleation and growth by citrate reduction of HAuCl4

Gold particle nucleation and growth were analyzed systematically by UV–vis, ELS and TEM measurements. The gold seed particles ranging from 14.3 nm to 20.3 nm were prepared with monodisperse size distribution by citrate reduction reaction of various initial HAuCl₄ concentrations. Gold nanoparticles of different sizes were made by the seed-mediated growth process. In the first stage of seed-mediated growth, most of gold precursors were used for the growth of seed particles, but, further supply of gold precursors promotes the nucleation of small particles and decreases the average particle diameters while the polydispersity of particles increases. This research can be used as basic data to prepare gold nanoparticles with specific properties for different applications.