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Multiscale modeling with smoothed dissipative particle dynamics

Pandurang M. Kulkarni、Chia-Chun Fu、M. Scott Shell 等 4 位作者2013-06-18The Journal of Chemical Physics

In this work, we consider two issues related to the use of Smoothed Dissipative Particle Dynamics (SDPD) as an intermediate mesoscale model in a multiscale scheme for solution of flow problems when there are local parts of a macroscopic domain that require molecular resolution. The first is to demonstrate that SDPD wi…

Block Copolymer Self-AssemblyNanopore and Nanochannel Transport StudiesLattice Boltzmann Simulation Studies

B content and Si/C ratios from cultured diatoms (Thalassiosira pseudonana and Thalassiosira weissflogii): Relationship to seawater pH and diatom carbon acquisition

Luz María Mejía、Kirsten Isensee、Ana Méndez-Vicente 等 8 位作者2013-06-18Geochimica et Cosmochimica Acta

Despite the importance of diatoms in regulating climate and the existence of large opal-containing sediments in key air-ocean exchange areas, most geochemical proxy records are based on carbonates. Among them, Boron (B) content and isotopic composition have been widely used to reconstruct pH from foraminifera and cora…

Paleontology and Stratigraphy of FossilsGeochemistry and Elemental AnalysisDiatoms and Algae Research

A convenient method for preparation of polystyrene-single-walled carbon nanotubes by metal-catalyzed living radical polymerization method

Mojtaba Abbasian、Saeed Fathi2013-06-18Journal of Polymer Engineering

Abstract In this research, a new direction for functionalizing of single-walled carbon nanotubes (SWCNTs) via the atom transfer radical polymerization (ATRP) method was utilized. SWCNTs were grafted with polystyrene (PSt) by the in situ ATRP method, in the presence of α-phenyl chloro acetylated SWCNT. This functional…

Carbon Nanotubes in CompositesPolymer Nanocomposites and PropertiesConducting polymers and applications

High refractive index films of ZnS/PVP nanocomposite byin situthermolysis

Tapas K. Chaudhuri、Mitesh G. Patel2013-06-18Journal of Experimental Nanoscience

A simple and rapid process for deposition of high refractive index films of ZnS/PVP nanocomposite (NC) is described. Precursor films are dip-coated on glass/quartz substrates from methanolic solution of polyvinylpyrrolidone (PVP) containing Zn+2–thiourea (TU) complex. ZnS/PVP nanocomposite films are produced by heatin…

Nonlinear Optical Materials StudiesSynthesis and properties of polymersPolymer Nanocomposite Synthesis and Irradiation

Characterization and anticorrosive properties of poly(2,3‐dimethylaniline)/nano‐Al2O3 composite synthesized by emulsion polymerization

Zhitao Li、Li Ma、Wanglin Li 等 6 位作者2013-06-18Polymers for Advanced Technologies

Poly(2,3‐dimethylaniline)/nano‐Al 2 O 3 composite (PAC) was synthesized by emulsion polymerization using dodecyl benzene sulfonic acid as emulsifier and dopant. The structure of PAC was characterized by Fourier fransformation infrared spectroscopy, UV–visible adsorption spectroscopy, and field emission scanning electr…

Corrosion Behavior and InhibitionAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Low-Voltage Back-Gated Atmospheric Pressure Chemical Vapor Deposition Based Graphene-Striped Channel Transistor with High-κ Dielectric Showing Room-Temperature Mobility > 11 000 cm2/V·s

Casey Smith、Ramy Mohammed Aiesh Qaisi、Zhihong Liu 等 5 位作者2013-06-18ACS Nano

Utilization of graphene may help realize innovative low-power replacements for III-V materials based high electron mobility transistors while extending operational frequencies closer to the THz regime for superior wireless communications, imaging, and other novel applications. Device architectures explored to date suf…

Graphene research and applicationsSemiconductor materials and devicesAdvanced Memory and Neural Computing

1-3 ceramic/polymer composites for high-temperature transducer applications

Lili Li、Shujun Zhang、Zhuo Xu 等 5 位作者2013-06-18physica status solidi (a)

1-3 ceramic/polymer composites based on high Curie temperature ferroelectric ceramic BiScO3–PbTiO3 (BSPT) were fabricated using the dice and fill method. The electromechanical coupling factor kt of BSPT composite was found to be 58% at room temperature, higher than the thickness coupling factor of monolithic BSPT ∼50%…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesDielectric materials and actuators

Pseudo‐Fivefold Diffraction Symmetries in Tetrahedral Packing

Stephen Lee、Ryan Henderson、Corey J. Kaminsky 等 8 位作者2013-06-18Chemistry - A European Journal

We review the way in which atomic tetrahedra composed of metallic elements pack naturally into fused icosahedra. Orthorhombic, hexagonal, and cubic intermetallic crystals based on this packing are all shown to be united in having pseudo-fivefold rotational diffraction symmetry. A unified geometric model involving the…

Quasicrystal Structures and PropertiesX-ray Diffraction in CrystallographyMineralogy and Gemology Studies

Spall behavior of rolled aluminum 5083-H116 plate

Ricky L. Whelchel、Gregory Kennedy、Sunil Kumar Dwivedi 等 5 位作者2013-06-18Journal of Applied Physics

The spall properties of rolled Al 5083-H116 plate are investigated using symmetric plate impact experiments over the stress range 1.5–6.2 GPa. Rear free surface velocity measurements made employing Velocity Interferometer System for Any Reflector interferometry reveal velocity profiles with clear signals of the Hugoni…

High-Velocity Impact and Material BehaviorStructural Response to Dynamic LoadsSurface Treatment and Residual Stress

Tuning DNA Binding Kinetics in an Optical Trap by Plasmonic Nanoparticle Heating

Lidiya Osinkina、Sol Carretero‐Palacios、Joachim Stehr 等 6 位作者2013-06-18Nano Letters

We report on the tuning of specific binding of DNA attached to gold nanoparticles at the individual particle pair (dimer) level in an optical trap by means of plasmonic heating. DNA hybridization events are detected optically by the change in the plasmon resonance frequency due to plasmonic coupling of the nanoparticl…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchOrbital Angular Momentum in Optics

Electric-Field Alignment of Chitin Nanorod–Siloxane Oligomer Reactive Suspensions

Maria Boltoeva、I. Dozov、Patrick Davidson 等 7 位作者2013-06-18Langmuir

Uniaxially anisotropic chitin-silica nanocomposite solids have been obtained thanks to the electric field-induced macroscopic alignment of liquid-crystalline reactive cosuspensions. We demonstrate how chitin nanorods (260 nm long, 23 nm thick) can be aligned upon the application of an alternating current (ac) electric…

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsSurfactants and Colloidal Systems

Designing Smart Particles for the Assembly of Complex Macroscopic Structures

Esther García‐Tuñón、Suelen Barg、Robert V. Bell 等 7 位作者2013-06-18Angewandte Chemie International Edition

Particle get-together: Surface functionalization with a branched copolymer surfactant is used to create responsive inorganic particles that can self-assemble in complex structures. The assembly process is triggered by a pH switch that reversibly activates multiple hydrogen bonds between ceramic particles (see picture;…

Surfactants and Colloidal SystemsPolymer Surface Interaction StudiesPickering emulsions and particle stabilization

Rationalization of Interactions in Precious Metal/Ceria Catalysts Using the d‐Band Center Model

Nadia Acerbi、Shik Chi Edman Tsang、Glenn Jones 等 5 位作者2013-06-18Angewandte Chemie

Ein Zusammenhang zwischen der Reduzierbarkeit von CeO2 und dem d-Band-Zentrum des Edelmetalls wird für Edelmetallkatalysatoren auf CeO2-Trägern berichtet. Die Ergebnisse könnten starke Metall-Träger-Wechselwirkungen sowie Wasserstoff-Spillover erklären, die in Katalysatoren aus fein verteiltem Metall in Kontakt mit re…

Catalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization StudiesCatalysis and Oxidation Reactions

Direct Syntheses of Styryl Ethers from Benzyl Alcohols via Ag Nanoparticle-Catalyzed Tandem Aerobic Oxidation

Qi Zhang、Shuangfei Cai、Linsen Li 等 9 位作者2013-06-18ACS Catalysis

Ag nanoparticle-catalyzed aerobic oxidation of benzyl alcohols in basic DMSO gave efficient formation of styryl ethers, featuring single carbon transfer and C═C and C–O bond formation. A deuterium labeling experiment established that DMSO was the carbon source. Further experiments showed the reaction proceeded through…

Catalytic Processes in Materials ScienceOxidative Organic Chemistry ReactionsNanomaterials for catalytic reactions

Structural Optimization of Zn(II)-Activated Magnetic Resonance Imaging Probes

Lauren M. Matosziuk、Jonathan H. Leibowitz、Marie C. Heffern 等 6 位作者2013-06-18Inorganic Chemistry

We report the structural optimization and mechanistic investigation of a series of bioactivated magnetic resonance imaging contrast agents that transform from low relaxivity to high relaxivity in the presence of Zn(II). The change in relaxivity results from a structural transformation of the complex that alters the co…

Magnetism in coordination complexesRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

One‐Pot Multistep Cascade Reactions over Multifunctional Nanocomposites with Pd Nanoparticles Supported on Amine‐Modified Mesoporous Silica

Ping Li、Huan Liu、Yu Yu 等 5 位作者2013-06-18Chemistry - An Asian Journal

Two kinds of multifunctional nanocomposites, SBA-15-NH2/Pd-p and SBA-15-NH2/Pd-f, with platelet-like and fiber-like morphologies, respectively, were fabricated by immobilizing Pd NPs onto amine-functionalized SBA-15. Some of the amino groups acted as anchoring sites for Pd NPs, whilst the remaining groups acted as Brø…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisNanomaterials for catalytic reactions

Accurate determination of the vapor-liquid-solid contact line tension and the viability of Young equation

Yawei Liu、Jianjun Wang、Xianren Zhang2013-06-18Scientific Reports

In this work, we present a theoretical method to determine the line tension of nanodroplets on homogeneous substrates via decomposing the grand free energy into volume, interface and line contributions. With the obtained line tension, we check the viability of Young equation and find that the chemical potential depend…

Surface Modification and SuperhydrophobicityFluid Dynamics and Thin Filmsnanoparticles nucleation surface interactions

Anomalous lattice expansion in yttria stabilized zirconia under simultaneous applied electric and thermal fields: A time-resolvedin situenergy dispersive x-ray diffractometry study with an ultrahigh energy synchrotron probe

E. K. Akdoğan、İlyas Şavklıyıldız、Hülya Biçer 等 7 位作者2013-06-18Journal of Applied Physics

Nonisothermal densification in 8% yttria doped zirconia (8YSZ) particulate matter of 250 nm median particle size was studied under 215 V/cm dc electric field and 9 °C/min heating rate, using time-resolved in-situ high temperature energy dispersive x-ray diffractometry with a polychromatic 200 keV synchrotron probe. De…

Ferroelectric and Piezoelectric MaterialsAdvancements in Solid Oxide Fuel CellsElectronic and Structural Properties of Oxides

Dissolution/reprecipitation technique for waste polyolefin recycling using new pure and blend organic solvents

Arkan J. Hadi、Ghazi Faisal Najmuldeen、Kamal Yusoh2013-06-18Journal of Polymer Engineering

Abstract Restoration of waste polymer based on low-density polyethylene (LDPE), high-density polyethylene (HDPE) and polypropylene (PP) is studied using the dissolution/reprecipitation method. In this technique, pure turpentine, turpentine/petroleum ether (PetE) and turpentine/benzene as solvents with different fracti…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesPolymer Science and PVC

Solid‐State Phosphorescence of trans‐Bis(salicylaldiminato)platinum(II) Complexes Bearing Long Alkyl Chains: Morphology Control towards Intense Emission

Naruyoshi Komiya、Nao Itami、Takeshi Naota2013-06-18Chemistry - A European Journal

Morphology control for intense solid-state phosphorescence of non-emissive, but potentially emissive crystals of platinum complexes and the mechanistic rationale are described. A series of trans-bis(salicylaldiminato)platinum(II) complexes bearing linear alkyl chains (1a: n=5; 1b: n=8; 1c: n=12; 1d: n=14; 1e: n=16; 1f…

Organic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsOrganoboron and organosilicon chemistry