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Atomistic simulations of liquid crystal mixtures of alkoxy substituted phenylpyrimidines 2PhP and PhP14

Fangyong Yan、David J. Earl2012-03-27The Journal of Chemical Physics

We study liquid crystal mixtures of alkoxy substituted phenylpyrimidines 2-[4-(butyloxy)phenyl]-5-(octyloxy)pyrimidine (2PhP) and 2-[4-(tetradecyloxy)phenyl]-5-(tetradecyloxy)pyrimidine (PhP14) using molecular dynamics simulations at the all atom level. The molecular length of PhP14 is 1.8 times that of 2PhP, resultin…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesSurfactants and Colloidal Systems

Effect of short‐chain branching on melt fracture behavior of metallocene and conventional poly(ethylene/α‐olefin) copolymers

Emilia Garofalo、Loredana Incarnato、Luciano Di Maio2012-03-27Polymer Engineering and Science

Abstract A phenomenon that can represent a great problem in melt processing is extrudate distortion. This effect can range in intensity from a loss of gloss to gross distortion and is the factor that limits the production rate in certain processes such as the blown film extrusion of linear low‐density polyethylene (LL…

Polymer crystallization and propertiesRheology and Fluid Dynamics StudiesPolymer Foaming and Composites

Hybrid Assemblies of Eu‐Containing Polyoxometalates and Hydrophilic Block Copolymers with Enhanced Emission in Aqueous Solution

Jie Zhang、Yang Liu、Yang Li 等 5 位作者2012-03-27Angewandte Chemie

Kern-Schale-Nanostrukturen eines photolumineszierenden Eu-Polyoxometallats (Eu-POM) mit dem doppelt-hydrophilen neutral-kationischen Blockcopolymer PEO114-b-PDMAEMA16 wurden durch elektrostatisch getriebene Selbstorganisation in wässriger Lösung hergestellt (siehe Schema; neutraler Block blau, kationischer Block rot).…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Reactions

Evaluation of the structure of polypropylene/montmorillonite nanocomposite by in‐line light extinction and color measurements during multiple extrusions

Kelen Cristina dos Reis、Sebastião V. Canevarolo2012-03-27Polymer Engineering and Science

Abstract This work extends the method to follow in real time the reduction of the clay particle size by light extinction measurements (turbidity), obtained via an in‐line optical detector fitted at the extruder die exit, to monitor multiple extrusions of PP/MMT nanocomposites. The optical detector was calibrated and s…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer Nanocomposite Synthesis and Irradiation

Numerical Modeling of the Failure of Magnesium Tubes Under Compressive Loading

Jonathan Rossiter、Kaan Inal、Raja K. Mishra2012-03-27Journal of Engineering Materials and Technology

A new finite element (FE) specific failure criterion utilizing hardening rates to quantify bending stress is implemented into the MAT_124 material model in the commercial software LS-DYNA to simulate fracture of extruded AZ31 and cast AM60 magnesium alloy tubes. The simulations are performed by requiring element erosi…

Magnesium Alloys: Properties and ApplicationsAluminum Alloy Microstructure PropertiesAluminum Alloys Composites Properties

Stability of Porous Platinum Nanoparticles: Combined In Situ TEM and Theoretical Study

Shery L. Y. Chang、Amanda S. Barnard、Christian Dwyer 等 9 位作者2012-03-27The Journal of Physical Chemistry Letters

Porous platinum nanoparticles provide a route for the development of catalysts that use less platinum without sacrificing catalytic performance. Here, we examine porous platinum nanoparticles using a combination of in situ transmission electron microscopy and calculations based on a first-principles-parametrized therm…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials Sciencenanoparticles nucleation surface interactions

Phase structure of monolayer graphene from effective U(1) gauge theory on honeycomb lattice

Yasufumi Araki2012-03-27Physical Review B

Phase structure of monolayer graphene is studied on the basis of a U(1) gauge theory defined on the honeycomb lattice. Motivated by the strong coupling expansion of U(1) lattice gauge theory, we consider on-site and nearest-neighbor interactions between the fermions. When the on-site interaction is dominant, the subla…

Graphene research and applicationsQuantum and electron transport phenomenaTopological Materials and Phenomena

Thermodynamic Discrimination in the Formation of Tetranuclear Lanthanide Helicates

Soumaila Zebret、Céline Besnard、Gérald Bernardinelli 等 4 位作者2012-03-27European Journal of Inorganic Chemistry

Abstract The complexation of lanthanide cations with a tripodal ligand bearing terminal ester functions was investigated. Thermodynamic speciation was achieved by a combination of different physicochemical methods, and the stability constants of the related complexes were determined spectrophotometrically. The formati…

Supramolecular Chemistry and ComplexesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

The Elasticity of PLA Fiber Blended Yarn

Qing Yang2012-03-27Advanced materials research

In order to describe the relation between the elasticity and the blended ratio of PLA fiber blended yarn, the elasticity of different kinds of blended ratio of PLA/Modal and PLA/cotton blended yarn was measured. The relation between the elasticity and the blended ratio of blended yarn is determined. The optimum blende…

Textile materials and evaluations

Multiscale Finite Element Modelling of Gallery Failure in Epoxy-Clay Nanocomposites

Cristian Pisano、P. Priolo、Łukasz Figiel2012-03-27Materials science forum

A multiscale finite element (FE) methodology is applied to study failure behaviour of an intercalated epoxy-clay nanocomposite. A 2D FE model of the nanocomposite is built to capture nanocomposite morphology and gallery failure mechanism. Intercalated morphology is reconstructed using a random dispersion of clay tacto…

Polymer Nanocomposites and PropertiesEpoxy Resin Curing ProcessesComposite Material Mechanics

Analysis of Carbon Nanotubes and Graphene Nanoribbons With Folded Racket Shapes

Raymond H. Plaut、Andy Borum、David Dillard2012-03-27Journal of Engineering Materials and Technology

Folding of carbon nanotubes and graphene nanoribbons into a shape that looks like a tennis racket is considered. An elastic continuum model is utilized in two types of analysis. The first is called an “adhesion model,” in which the adjacent sides of the racket handle are assumed to be straight and bonded together with…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Effect of injection speed on phase morphology, crystallization behavior, and mechanical properties of polyoxymethylene/poly(ethylene oxide) crystalline/crystalline blend in injection processing

Shibing Bai、Qi Wang2012-03-27Polymer Engineering and Science

Abstract In this work, poly(ethylene oxide) (PEO) was added into polyoxymethylene (POM) as a new modifier, and the effects of the injection speed on the phase morphology, crystallization behavior, and the mechanical properties of the POM/PEO crystalline/crystalline blend were investigated. The results showed that with…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Study in Surface Modification of Silica in Silicone Rubber

Jie Sheng Liu、Dong Lai Li、Jun Yu 等 4 位作者2012-03-27Advanced materials research

Silica fillers are well known to improve the mechanical properties of elastomers.Nevertheless, the silica filler particles tend to aggregate and affect the properties of the elastomer. In the present study, the silica filler was modified by silane coupling agent (A-151) in order to improve the dispersion of the filler…

Polymer Nanocomposites and PropertiesPolymer Nanocomposite Synthesis and IrradiationSilicone and Siloxane Chemistry

EFFECTS OF CHEMICAL FOAMING AGENTS ON THE PHYSICO-MECHANICAL PROPERTIES AND RHEOLOGICAL BEHAVIOR OF BAMBOO POWDER-POLYPROPYLENE FOAMED COMPOSITES

Xiaxing Zhou、Lihui Chen、Qiaojia Lin2012-03-27BioResources

To make full use of bamboo resources in China and explore the foaming mechanism of bamboo powder-polypropylene (PP) foamed composites, a foamed composite of 54 wt% PP and 13 wt% HMSPP containing 33 wt% bamboo powder blends was prepared by injection moulding. Effects of chemical foaming agents (CFA) on the mechanical p…

Asphalt Pavement Performance EvaluationNatural Fiber Reinforced CompositesPolymer Foaming and Composites

Modeling Studies on Lean NOx Reduction by a Sequence of LNT–SCR Bricks

Arun S. Kota、Dan Luss、Vemuri Balakotaiah2012-03-27Industrial & Engineering Chemistry Research

Several experimental studies have been conducted to determine the NO x reduction by a series of LNT (lean NO x trap) and SCR (selective catalytic reduction) catalytic bricks. An important goal is to minimize the required precious metal loading in the LNT while keeping the NO x emission below a specified level. We pres…

Luminescence Properties of Advanced MaterialsCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Controlled Synthesis of Ferromagnetic Semiconducting Silicon Nanotubes

Nava Shpaisman、Uri Givan、Moria Kwiat 等 6 位作者2012-03-27The Journal of Physical Chemistry C

Recently, transition-metal-doped semiconductor nanostructures, so-called diluted magnetic semiconductors, such as dots, rods, wires, and films, have been the subject of intense research efforts due to their fascinating properties and potential applications in bioimaging, spintronics, and quantum interference informati…

ZnO doping and propertiesNanowire Synthesis and ApplicationsSemiconductor materials and interfaces

Torsional stability of carbon nanotubes filled with copper atoms

L Wang、Zhongqiang Zhang、Yonggang Zheng 等 5 位作者2012-03-27Physica Scripta

Carbon nanotubes (CNTs) are frequently used as torsional devices in nanoelectromechanical systems; thus it is necessary to gain a thorough understanding of the mechanical behavior of tubes under torsion. In this paper, molecular dynamics simulations are carried out to investigate the torsional buckling of single-walle…

Carbon Nanotubes in CompositesGraphene research and applicationsNanotechnology research and applications

Synthesis of Molecular Gallium Hydrides by Means of Low‐Temperature Catalytic Dehydrogenation

D. Rudolf、Golo Storch、Elisabeth Kaifer 等 4 位作者2012-03-27European Journal of Inorganic Chemistry

Abstract Low‐temperature catalytic dehydrogenation of H 3 Ga · NMe 3 and a bicyclic guanidine [1,3,4,6,7,8‐hexahydro‐2 H ‐pyrimido[1,2‐ a ]pyrimidine (hppH) or 1,5,7‐triazabicyclo[4.3.0]non‐6‐ene (Htbn)] led to temperature‐sensitive gallium hydrides H 3 Ga(tbn) · Htbn and [H 2 Ga(μ‐hpp)] 2 . Both hydrides, which are s…

Hydrogen Storage and MaterialsCarbon dioxide utilization in catalysisAmmonia Synthesis and Nitrogen Reduction

Optical Properties of Assembled Single‐Walled Carbon Nanotube Gels

G. N. Ostojic2012-03-27ChemPhysChem

A macroscopic system of single-walled carbon nanotubes (SWNTs) created by a novel DNA/protein complex-assisted assembly is investigated. Due to a point-like nature of connectors, the resulting SWNT aerogel represents a network of self-suspended nanotubes with a record-low density of less than 0.75 mg cm(-3). The assem…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Crystallisation kinetics of mullite glass-ceramics obtained from alumina–silica wastes

A. A. Francis、S. Vilminot2012-03-27International Journal of Sustainable Engineering

Mullite-based glass-ceramics were produced from aluminium hydroxide sludge resulting from the anodisation process and waste glasses. Phase development for crystallisation of amorphous mullite was investigated between 900°C and 1200°C. The kinetic parameters such as activation energy of crystallisation and Avrami expon…

Glass properties and applicationsRecycling and utilization of industrial and municipal waste in materials productionNuclear materials and radiation effects