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Molecular Dynamics Simulation Study on the Carbon NanotubeInteracting with a Polymer

Leton Chandra Saha、Shabeer Ahmad Mian、Joonkyung Jang2012-03-20Bulletin of the Korean Chemical Society

Using molecular dynamics simulation method, we studied the carbon nanotube (CNT) non-covalently interacting with a polymer. As the polymer coiled around the CNT, the diameter of CNT deformed by more than 40% of its original value within 50 ps. By considering three different polymers, we conclude that the interaction b…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Preparation and Characterization of Hyaluronic Acid Hydrogel Blends with Gelatin

Zhihua Zhou、Zhongmin Yang、Lingchen Kong 等 9 位作者2012-03-20Journal of Macromolecular Science Part B

Porous hydrogel blends composed of various weight ratios of hyaluronic acid (HA) and gelatin (Gel) were fabricated by a freeze-drying method. The 1-ethyl-3(3-dimethylaminopropyl) carbodiimide (EDC) was used as a crosslinker to improve their biostability. The effect of the component and crosslinker content on the morph…

Hydrogels: synthesis, properties, applicationsSilk-based biomaterials and applicationsCollagen: Extraction and Characterization

Novel Synthesis and Characterization of High Quality Silicon Carbide Coatings on Carbon Fibers

Wei Xie、Zakaria A. Mirza、G. Möbus 等 4 位作者2012-03-20Journal of the American Ceramic Society

Carbon fibers were coated with silicon carbide ( S i C ) by partially reacting with silicon ( S i) powders in a N a C l‐based salt for 4 h at 1200°C–1250°C in Ar , and characterized by using X ‐ray diffraction ( XRD ), scanning electron microscopy ( SEM ), atomic force microscopy ( AFM ), and energy dispersive X ‐ray…

Advanced ceramic materials synthesisMetal and Thin Film MechanicsDiamond and Carbon-based Materials Research

Crystal plasticity based finite element modelling of large strain deformation in AM30 magnesium alloy

Adel Izadbakhsh、Kaan Inal、Raja K. Mishra2012-03-20Modelling and Simulation in Materials Science and Engineering

In this paper, the finite strain plastic deformation of AM30 magnesium alloy has been simulated using the crystal plasticity finite element method. The simulations have been carried out using a rate-dependent elastic–viscoplastic crystal plasticity constitutive model implemented in a user defined material subroutine (…

Microstructure and mechanical propertiesMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites Properties

Constrained nudged elastic band calculation of the Peierls barrier with atomic relaxations

Roman Gröger、V. Vítek2012-03-20Modelling and Simulation in Materials Science and Engineering

We demonstrate that the straightforward application of the nudged elastic band (NEB) method does not determine the correct Peierls barrier of 1/2〈1 1 1〉 screw dislocations in bcc metals. Although this method guarantees that the states (images) of the system are distributed uniformly along the minimum energy path, it d…

Microstructure and mechanical propertiesFusion materials and technologiesNuclear Materials and Properties

Digital holographic microscopy characterization of superdirective beam by metamaterial

Giuseppe Di Caprio、Principia Dardano、Giuseppe Coppola 等 5 位作者2012-03-20Optics Letters

Digital holographic microscopy (DHM) has been successfully applied for the first time to characterize the radiative out-of-plane emission properties of a superdirective device. Complementarily to near-field microscopy, DHM allows us to reconstruct the beam in the far-field region. The angular dispersion of the light b…

Metamaterials and Metasurfaces ApplicationsOrbital Angular Momentum in OpticsDigital Holography and Microscopy

Effects of the Zr and Mo contents on the electrochemical corrosion behavior of Ti–22Nb alloy

S. Yang、D. C. Zhang、Min Wei 等 6 位作者2012-03-20Materials and Corrosion

Abstract Ti–22Nb– x Zr and Ti–22Nb– x Mo ( x = 0, 2, 4, 6, in atom percent) were prepared by an arc melting method. The alloys were solution‐treated at 1073 K for 1.8 ks followed by quenching them into ice water, and the electrochemical corrosion behavior in a 0.9% NaCl solution at 25 °C and neutral pH range of the so…

Hydrogen embrittlement and corrosion behaviors in metalsIntermetallics and Advanced Alloy PropertiesTitanium Alloys Microstructure and Properties

The effect of solution temperature and pH on corrosion performance and morphology of nanoceramic‐based conversion thin film

H. Eivaz Mohammadloo、Ali Asghar Sarabi、Ali Asghar Sabbagh Alvani 等 5 位作者2012-03-20Materials and Corrosion

Abstract In the present study, a nanoceramic hexafluorozirconic acid was used as an eco‐friendly conversion coating, which is free of the conventional phosphate salts. The effect of practical parameters on morphology and corrosion resistance of the coating was studied. Anti‐corrosion behavior of the nanoceramic‐based…

Corrosion Behavior and InhibitionElectrodeposition and Electroless CoatingsConcrete Corrosion and Durability

Microscopic and Spectroscopic Methods Applied to the Measurements of Nanoparticles in the Environment

Susmita Bandyopadhyay、José R. Peralta-Videa、José Á. Hernández-Viezcas 等 6 位作者2012-03-20Applied Spectroscopy Reviews

: Currently, thousands of commercially available products contain engineered nanoparticles (ENPs). Because numerous nanoparticles (NPs) are being used in products that will be in contact with water or directly used in water treatment processes, these materials will undoubtedly reside, at least temporarily, in bodies o…

Nanoparticles: synthesis and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsGraphene and Nanomaterials Applications

Enhanced Carrier Transport along Edges of Graphene Devices

Jungseok Chae、Suyong Jung、Sungjong Woo 等 10 位作者2012-03-20Nano Letters

The relation between macroscopic charge transport properties and microscopic carrier distribution is one of the central issues in the physics and future applications of graphene devices (GDs). We find strong conductance enhancement at the edges of GDs using scanning gate microscopy. This result is explained by our the…

Graphene research and applicationsQuantum and electron transport phenomenaAdvancements in Semiconductor Devices and Circuit Design

Conductive Hybrid Nanofibers Self-Assembled with Three Different Amphiphilic Salts

Weimin Zhou、Haifeng Yu2012-03-20ACS Applied Materials & Interfaces

Upon supramolecular self-assembly, novel conductive hybrid nanofibers were successfully fabricated using three amphiphilic salts, azopyridinium, aniline hydrochloride, and alkylbenzenesulfate-based anionic surfactants. The interactions like π-π stacking and ionic bonding among the different compounds played important…

Conducting polymers and applicationsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Effects of α/β Compound Nucleating Agents on Mechanical Properties and Crystallization Behaviors of Isotactic Polypropylene

Yue‐Fei Zhang、Xian-Xu Luo、Ling Zhu 等 5 位作者2012-03-20Journal of Macromolecular Science Part B

Sodium 2,2’-methylene-bis (4,6-di-tert-butylphenyl) phosphate (commercial name: Irgastab NA-11) and N,N’-dicyclohexylnaphthalene-2,6-dicarboxamide (commercial name: NU-100) are highly effective nucleating agents for α-isotactic polypropylene (iPP) and β-isotactic polypropylene (iPP) respectively. Effects of a total co…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Ultrafast Relaxation Dynamics via Acoustic Phonons in Carbon Nanotubes

Olga A. Dyatlova、Christopher C. Kohler、Ermin Malić 等 9 位作者2012-03-20Nano Letters

Carbon nanotubes as one-dimensional nanostructures are ideal model systems to study relaxation channels of excited charged carriers. The understanding of the ultrafast scattering processes is the key for exploiting the huge application potential that nanotubes offer, e.g., for light-emitting and detecting nanoscale el…

Carbon Nanotubes in CompositesMechanical and Optical ResonatorsNanopore and Nanochannel Transport Studies

SANS Investigation of Global and Segmental Structures of Hyperbranched Aliphatic–Aromatic Polyesters

Walther Burchard、Anna Khalyavina、Peter Lindner 等 7 位作者2012-03-20Macromolecules

SANS measurements in THF- d 6 were carried out at the D11 instrument at ILL, Grenoble with two aliphatic aromatic hyper-branched (hb) samples with nearly the same degree of polymerization (DP ≈ 90), containing hydroxyl (OH) and silyl-ether (SY) terminal groups. The choice of a large region of momentum transfer q permi…

Advanced Polymer Synthesis and CharacterizationLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Tuning of n‐ and p‐Type Reduced Graphene Oxide Transistors with the Same Molecular Backbone

Junghyun Lee、Eunhee Hwang、Eunkyo Lee 等 5 位作者2012-03-20Chemistry - A European Journal

Play the field: A field-effect transistor using reduced graphene oxides was prepared through the reduction of graphene oxides connected between two electrodes. The use of pyrene with an electron-withdrawing group and an electron-donating group showed the p- and n-doping effects, respectively, while the pyrene backbone…

Graphene research and applicationsQuantum and electron transport phenomenaMolecular Junctions and Nanostructures

New stabilizers for PVC based on some diorganotin(IV) complexes with benzamidoleucine

Emad͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏ Yousif、Jumat Salimon、Nadia Salih 等 5 位作者2012-03-20Arabian Journal of Chemistry

The photostabilization of poly(vinyl chloride) (PVC) films by diorganotin(IV) complexes of the type Ph 2 SnL 2 , Bu 2 SnL 2 and Me 2 SnL 2 of the ligand benzamidoleucine complexes was investigated. The PVC films containing concentration of complexes 0.5% by weight were produced by the casting method from tetrahydrofur…

Polymer Science and PVC

Antisolvent Precipitation for the Synthesis of Monodisperse Mesoporous Niobium Oxide Spheres as Highly Effective Solid Acid Catalysts

Cheng Chao Li、Jian Dou、Luwei Chen 等 5 位作者2012-03-20ChemCatChem

Abstract We have developed a low‐cost reaction protocol to synthesize mesoporous Nb 2 O 5 ‐based solid acid catalysts with external shape control. In the synthesis, monodisperse glycolated niobium oxide spheres (GNOS) were prepared by means of a simple antisolvent precipitation approach and subsequently converted to m…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsCatalysis and Hydrodesulfurization Studies

Excitation of multiple surface-plasmon-polariton waves guided by the periodically corrugated interface of a metal and a periodic multilayered isotropic dielectric material

Muhammad Faryad、Anthony S. Hall、Greg D. Barber 等 5 位作者2012-03-20Journal of the Optical Society of America B

The excitation of multiple surface-plasmon-polariton (SPP) waves guided by the periodically corrugated interface of a homogeneous metal and a periodic multilayered isotropic dielectric (PMLID) material was studied theoretically. The solution of the underlying canonical boundary-value problem (with a planar interface)…

Plasmonic and Surface Plasmon ResearchPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Synthesis of Triangular Metallodendrimers via Coordination-Driven Self-Assembly

Qing‐Long Han、Lilei Wang、Quanjie Li 等 10 位作者2012-03-20The Journal of Organic Chemistry

A new family of 60° dendritic di-Pt(II) acceptor tectons have been successfully designed and synthesized, from which a series of novel "three-component" triangular metallodendrimers were prepared via [3 + 3] coordination-driven self-assembly. The structures of newly designed triangular metallodendrimers are characteri…

Supramolecular Chemistry and ComplexesRNA Interference and Gene DeliveryDendrimers and Hyperbranched Polymers

Low-Energy States of Manganese–Oxo Corrole and Corrolazine: Multiconfiguration Reference ab Initio Calculations

Hailiang Zhao、Kristine Pierloot、Еrnst H.G. Langner 等 6 位作者2012-03-20Inorganic Chemistry

Manganese(V)-oxo corrole and corrolazine have been studied with ab initio multiconfiguration reference methods (CASPT2 and RASPT2) and large atomic natural orbital (ANO) basis sets. The calculations confirm the expected singlet d(δ)(2) ground states for both complexes and rule out excited states within 0.5 eV of the g…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesMetal-Catalyzed Oxygenation Mechanisms