Metal Clusters in Chemistry
Solid state chemistry molecular clusters (including synthesis, reacitvity, and properties) metal clusters in catalysis nanomaterials theoretical aspects.
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Petroleum Exploration and Production
A knowledge of the mineralogy of hydrocarbon-bearing rocks is essential in the interpretation of reservoir rocks for petroleum exploration and production. The mineralogical effects on the characteristics of reservoir rocks are often profound, and some of the affected properties are listed in Table 1. Several technique…
Instantaneous normal mode theory of diffusion and the potential energy landscape: Application to supercooled liquid CS2
The pure translation (TR) imaginary-frequency (or unstable) instantaneous normal modes (INM), which we have proposed as representative of barrier crossing and diffusion, are obtained for seven densities and eight temperatures of supercooled and near-melting liquid CS2 via computer simulation. The self-diffusion consta…
The application of the energy landscape model to polymers
The energy landscape model of the glass transition has received increasing attention, due to its potential for providing a thermodynamic interpretation of the dynamics of glass-forming liquids. Herein, the idea that the temperature-dependence of the dynamics near the glass temperature (“fragility”) can be related to t…
Relaxation dynamics and their spatial distribution in a two-dimensional glass-forming mixture
Molecular dynamics simulations are used to explore the spatial fluctuations associated with structural relaxation and particle transport in a supercooled binary mixture in two dimensions. The study includes (i) the characterization of heterogeneities in the local particle dynamics in terms of their length scale and li…
Strain in heteroepitaxial growth
We use atomistic simulations with an empirical potential (EAM) to study the elastic effects of heteroepitaxial islands on adatom diffusion. We measure the diffusion barrier on pure stressed substrate and near a misfit island, as well as the detachment barrier from islands of different size.
Comment on "Photonic Band Gaps: Noncommuting Limits and the 'Acoustic Band'"
This Comment concerns the effective dielectric constant for 2D photonic crystal. We show that even in the limit of very high dielectric constant of photonic crystal's "atoms", static and quasistatic approaches give the same results, unlike it was claimed by Nicorovichi et al, PRL, 75, 1507 (1995).
Dynamics of Copolymer Micelles in an Entangled Homopolymer Matrix
The dynamics of block copolymer micelles, with a glassy polystyrene core and polyisoprene corona, in a matrix of linear entangled polyisoprene (PI) chains, has been investigated by forced Rayleigh scattering (FRS), dynamic mechanical measurements, and dielectric relaxation spectroscopy. The concentration of micelles h…
Effect of Sorbed Oil on Food Aroma Loss through Packaging Materials
Mass transport of six food aroma components, D-limonene, n-decane, ethyl caproate, phenylethanol, 1-hexanol, and hexanal, through three sealable polymer films suitable for direct food contact, ultra-low-density polyethylene (ULDPE), ionomer (ION), and modified polyester (mPET), was analyzed by permeation experiments.…
The Role of Carbon Monoxide in the NO−Carbon Reaction
The enhancement of the NO/carbon reduction reactions by carbon monoxide has been demonstrated for carbons of widely varying nature (coal char, phenolic resin-derived char and graphite). The evidence supports enhancement of NO reduction via a carbon-surface-catalyzed reaction such as NO + CO → 1/2N 2 + CO 2 . This reac…
Novel Core-Modified Expanded Porphyrins withmeso-Aryl Substituents: Synthesis, Spectral and Structural Characterization
The synthesis, spectral and structural characterization of meso -aryl sapphyrins and rubyrins containing heteroatoms such as S, O, Se in addition to pyrrole nitrogens are reported. The synthesis of the desired expanded porphyrins has been achieved using a single precursor, the modified tripyrranes containing heteroato…
On−Off Control of Enzymatic Activity Synchronizing with Reversible Formation of Supramolecular Assembly from Enzyme and Charged Block Copolymers
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTOn−Off Control of Enzymatic Activity Synchronizing with Reversible Formation of Supramolecular Assembly from Enzyme and Charged Block CopolymersAtsushi Harada and Kazunori KataokaView Author Information Department of Materials Science, Graduate School of Engineering, T…
High Electric Resistance Polymer/Lipid Composite Films on Indium−Tin−Oxide Electrodes
We report the design of polymer/lipid composite films on polarizable indium−tin−oxide (ITO) electrodes and the characterization of their electrical properties by impedance spectroscopy. The polymer films separating the solid surfaces and the lipid membranes were composed of “ hairy-rod ” macromolecules and provided a…
The Overgrowth of Calcium Carbonate on Poly(vinyl chloride-co-vinyl acetate-co-maleic acid)
Poly(vinyl chloride- co -vinyl acetate- co -maleic acid) (vinyl chloride 83%, vinyl acetate 13%, carboxylated 1%) was found to be a substrate favoring the deposition of vaterite crystals from stable supersaturated solutions at pH 8.50 and 25 °C. Induction times preceding calcium carbonate precipitation were inversely…
Preparation and Characterization of Hybrid Organic−Inorganic Composite Materials Using the Amphoteric Property of Amino Acids: Amino Acid Intercalated Layered Double Hydroxide and Montmorillonite
Deprotonated and protonated forms of L-tyrosine or L-phenylalanine were intercalated by Zn-Al hydrotalcite (HT) and Na-montmorillonite (Na-mont), respectively. The intercalated materials were characterized by powder X-ray diffraction, BET measurements, and FT-IR spectroscopy. Intercalation was successful as the increa…
SOLVENT EFFECT ON GELATION IN THE RADICAL POLYMERIZATION OF TRIALLYL ISOCYANURATE
Radical solution polymerization of triallyl isocyanurate was conducted in methyl benzoate or hexyl benzoate as good or poor solvent, respectively, using AIBN as initiator at 60°C. An increased rate of polymerization, enlarged primary chain length, and promoted gelation were observed in the poor solvent. The actual gel…
Incoupling waveguide holograms for simultaneous focusing into multiple arbitrary positions
A design method is presented that enables the realization of a novel type of incoupling waveguide hologram (IWGH) that simultaneously focuses the incoupled light to any desired positions in the waveguide. IWGH's, or grating couplers, are gratinglike structures etched into the waveguide surface. They couple the light i…
Local charge trapping and detection of trapped charge by scanning capacitance microscope in the SiO2/Si system
Charge trapping induced by hot carriers in a metal–oxide–semiconductor capacitor was studied with a scanning capacitance microscope (SCM). The local charge trapping/detrapping and the readout of the trapped charge in SiO2 was performed using a SCM combined with an atomic force microscope. When applying a voltage betwe…
Structural models of amorphous carbon surfaces
Using tight-binding molecular dynamics, we have constructed structural models of amorphous carbon surfaces, by imposing tensile strain on computer generated networks containing 512 carbon atoms until fracture is produced and two surfaces are formed. Different tensile strains are applied along different directions, in…
Intrinsic Gap States in Semiconductor Nanocrystals
We demonstrate the existence of intrinsic gap states in bare and capped semiconductor nanocrystals within multiband effective mass theory. These states originate from Shockley-like surface states which, in small nanocrystals, extend over the entire crystal volume, facilitating their observation in absorption as well a…