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Structural properties of glassy Ge2Se3from first-principles molecular dynamics

Sébastien Le Roux、Assil Bouzid、Mauro Boero 等 4 位作者2012-12-19Physical Review B

The structural properties of glassy Ge${}_{2}$Se${}_{3}$ were studied in the framework of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr scheme for the treatment of the exchange-correlation functional in density functional theory. Our results for the total neutron structure factor and the total p…

Glass properties and applicationsPhase-change materials and chalcogenidesSolid-state spectroscopy and crystallography

Plasma Electrolytic Oxidation/Cerium Conversion Composite Coatings for the Improved Corrosion Protection of AZ31 Mg Alloys

Tae Seop Lim、Hyun Sam Ryu、Seong‐Hyeon Hong2012-12-19Journal of The Electrochemical Society

Corrosion protective composite coatings were prepared on AZ31 Mg alloy using plasma electrolytic oxidation (PEO) and cerium conversion (CeC) coating, and their electrochemical corrosion properties were evaluated by potentiodynamic test and electrochemical impedance spectroscopy (EIS). The PEO coating was porous and co…

Corrosion Behavior and InhibitionMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites Properties

Tensile Properties, Water Uptake, and Thermal Properties of Polypropylene/Waste Pulverized Tire/Kenaf (PP/WPT/KNF) Composites

Pang Ai Ling、Hanafi Ismail2012-12-19BioResources

The effects of kenaf (KNF) loading and 3-aminopropyltriethoxysilane (APTES) on the tensile properties, water uptake, and thermal properties of KNF-filled polypropylene (PP)/waste pulverized tire (WPT) composites were investigated. The composites were prepared using a Thermo Haake Polydrive internal mixer, where KNF lo…

Polymer Nanocomposites and PropertiesNatural Fiber Reinforced Compositesbiodegradable polymer synthesis and properties

Systematic studies of the structures and magnetic properties for a family of cubane complexes with the formula: [M2Ln2] (Ln = Dy, Gd; M = Ni, Zn) and [Ni2Y2]

Wan-Rong Yu、Gene-Hsian Lee、En‐Che Yang2012-12-19Dalton Transactions

Studies of magnetic properties of a family of tetranuclear M(II)(2)Ln(III)(2) (M = Ni, Zn; Ln = Dy, Gd and Y) complexes with hmp (anion of 2-hydroxymethylpyridine) and benzoate as ligands are reported. In these complexes, metal ions (M or Ln) occupy the four alternative corners of a distorted cubane with oxygen atoms…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Progress in hydrostatic extrusion of titanium

Krzysztof Topolski、W. Pachla、Halina Garbacz2012-12-19Journal of Materials Science

At the beginning of the present century it has been demonstrated that nanocrystalline titanium (NC-Ti) can be fabricated by hydrostatic extrusion (HE) which is one of the severe plastic deformation method. NC-Ti obtained in such a way exhibited excellent mechanical properties. The influence of HE on the microstructure…

Microstructure and mechanical propertiesMetal and Thin Film MechanicsTitanium Alloys Microstructure and Properties

IMPACT RESISTANCE OF OIL PALM SHELLS LIGHTWEIGHT CONCRETE SLAB WITH BAMBOO FIBERS

Lariyah Mohd Sidek、Zakaria Che Muda、Salah Farhan A Sharif 等 4 位作者2012-12-19International Journal of Scientific and Engineering Research

Oil palm shells (OPS) has been used as an aggregate in concrete mixture, replacing the normal sense aggregate in many countries, since long time, and it is still an important aggregate in terms of quantity used. In Malaysia, the development of using oil palm shell as lightweight aggregate in construction industry, esp…

Natural Fiber Reinforced CompositesInnovative concrete reinforcement materialsMaterial Selection and Properties

On the estimation of spatial averaging volume for determining stress using atomistic methods

Manfred H. Ulz、Kranthi K. Mandadapu、Panayiotis Papadopoulos2012-12-19Modelling and Simulation in Materials Science and Engineering

The estimation of stress at a continuum point from the atomistic scale requires volume averaging over a region that contains this point. A hypothesis is put forth to obtain a lower bound for the size of this region based on an analogy to the Ising model. This hypothesis is tested on copper using two classical elastici…

Microstructure and mechanical propertiesMetal and Thin Film MechanicsMicrostructure and Mechanical Properties of Steels

Magnetic domain wall propagation under ferroelectric control

Evgeny Mikheev、Igor Stolichnov、Elisa De Ranieri 等 11 位作者2012-12-19Physical Review B

Control of magnetic domain walls (DWs) and their propagation is among the most promising development directions for future information-storage devices. The well-established tools for such manipulation are the spin-torque transfer from electrical currents and strain. The focus of this paper is an alternative concept ba…

Magnetic properties of thin filmsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

Failure analysis of a machinable brass connector in a boiler unit installation

George Pantazopoulos、Anagnostis Toulfatzis2012-12-19Case Studies in Engineering Failure Analysis

Cracking of hexagonal brass connector of a boiler tubing assembly caused leakage and interruption of the function of a water heating circuit. Destructive damage was provoked after two years in service. Visual examination, light and scanning electron microscopy coupled with local elemental energy dispersive X-ray spect…

Aluminum Alloy Microstructure PropertiesBauxite Residue and UtilizationMetallurgy and Material Science

2D Bimetallic Oxalate‐Based Ferromagnets with Inserted [Fe(4‐Br‐sal2‐trien)]+ and [Fe(3‐R‐sal2‐trien)]+ (R = Br, Cl and CH3O) FeIII Spin‐Crossover Complexes

Miguel Clemente‐León、Eugenio Coronado、M. López-Jordà2012-12-19European Journal of Inorganic Chemistry

Abstract The syntheses, structures and magnetic properties of the compounds of formula [Fe III (4‐Br‐sal 2 ‐trien)][Mn II Cr III (ox) 3 ] 0.67 Cl 0.33 · CH 3 OH_solvate ( 1 ), [Fe III (3‐Br‐sal 2 ‐trien)][Mn II Cr III (ox) 3 ] · (CH 3 CN) 2 ( 2 ), [Fe III (3‐Cl‐sal 2 ‐trien)][Mn II Cr III (ox) 3 ] · (CH 3 OH) 2 · (CH…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesAdvanced Condensed Matter Physics

Hydrosoluble dendritic poly(ethylene oxide)s with zinc tetraphenylporphyrin branching points as photosensitizers

Anne‐Laure Wirotius、Emmanuel Ibarboure、Luca Scarpantonio 等 6 位作者2012-12-19Polymer Chemistry

Synthesis of dendrimer-like star-branched poly(ethylene oxide)s (PEOs) with two and three generations having Zn(II) tetraphenylporphyrin (ZnTPP) moieties at the core and at each branching point has been successfully achieved through an iterative convergent approach harnessing “click chemistry”. In the first step, a fo…

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesLuminescence and Fluorescent Materials

A Hexanuclear Cobalt(II) Cluster Incorporated in a Banana‐Shaped Tungstovanadate: [(Co(OH2)Co2VW9O34)2(VW6O26)]17–

Hongjin Lv、Jie Song、Yurii V. Geletii 等 6 位作者2012-12-19European Journal of Inorganic Chemistry

Abstract The hexanuclear cobalt‐containing tungstovanadate complex, Na 17 [(Co(OH 2 )Co 2 VW 9 O 34 ) 2 (VW 6 O 26 )] · 31H 2 O ( 1 ) has been synthesized through reaction of cobalt nitrate, sodium tungstate, and V 2 O 5 in acetate buffer solution. The title compound has been characterized by X‐ray crystallography, el…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsVanadium and Halogenation Chemistry

Sonication‐Induced Coiled Fibrous Architectures of Boc‐L‐Phe‐L‐Lys(Z)‐OMe

Rouzbeh Afrasiabi、Heinz‐Bernhard Kraatz2012-12-19Chemistry - A European Journal

An ultra-short peptide Boc-L-Phe-L-Lys(Z)-OMe (Z=carbobenzyloxy) was shown to act as a highly efficient and versatile low molecular weight gelator (LMWG) for a variety of aliphatic and aromatic solvents under sonication. Remarkably, this simple dipeptide is not only able to form coiled fibres but also demonstrates sel…

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Novel single-crystal's voltage-dependent effect and magnetic order of Ln2ZrQ5 (Ln = La, Sm, Gd; Q = S, Se) semiconductors

Sheng‐Ping Guo、Guan‐E Wang、Ming‐Jian Zhang 等 8 位作者2012-12-19Dalton Transactions

A series of rare-earth zirconium chalcogenides Ln(2)ZrQ(5) (Ln = La, Sm, Gd; Q = S, Se) synthesized by using boron as the reducing reagent show unprecedented single-crystal's intrinsic voltage-dependent effects and order antiferromagnetically.

Crystal Structures and PropertiesIron-based superconductors researchInorganic Chemistry and Materials

Polarization-resolved second-harmonic generation microscopy as a method to visualize protein-crystal domains

Emma L. DeWalt、Victoria J. Begue、J.A. Ronau 等 6 位作者2012-12-19Acta Crystallographica Section D Biological Crystallography

Polarization-resolved second-harmonic generation (PR-SHG) microscopy is described and applied to identify the presence of multiple crystallographic domains within protein-crystal conglomerates, which was confirmed by synchrotron X-ray diffraction. Principal component analysis (PCA) of PR-SHG images resulted in princip…

Protein Structure and DynamicsAdvanced Fluorescence Microscopy TechniquesEnzyme Structure and Function

Unique phase diagram with narrow superconducting dome in EuFe2(As1−xPx)2due to Eu2+local magnetic moments

Y. Tokiwa、Sebastian Hübner、O. Beck 等 5 位作者2012-12-19Physical Review B

The interplay between superconductivity and Eu${}^{2+}$ magnetic moments in EuFe${}_{2}$(As${}_{1\ensuremath{-}x}$P${}_{x}$)${}_{2}$ is studied with electrical resistivity measurements under hydrostatic pressure on $x=0.13$ and $x=0.18$ single crystals. We can map hydrostatic pressure to chemical pressure $x$ and show…

Physics of Superconductivity and MagnetismRare-earth and actinide compoundsIron-based superconductors research

Self-Assembly of Triblock Janus Nanoparticle in Nanotube

Noriyoshi Arai、Kenji Yausoka、Xiao Cheng Zeng2012-12-19Journal of Chemical Theory and Computation

We have performed molecular simulations to investigate morphologies and the phase diagram of the self-assembled triblock Janus nanoparticle confined to nanotubes. The triblock Janus nanoparticle is decorated with two hydrophobic caps at the north and south poles with a tunable area, separated by an electrically charge…

Gold and Silver Nanoparticles Synthesis and ApplicationsSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Design and engineering of silk fibroin scaffolds with biomimetic hierarchical structures

Hui Wang、Xiangyang Liu、Yon Jin Chuah 等 6 位作者2012-12-19Chemical Communications

Silk scaffolds having biomimetic hierarchical porous structures were achieved by carefully tuning liquid-liquid separation in regenerated silk fibroin solutions. Such scaffolds show greatly enhanced cellular responses.

Polymer Surface Interaction StudiesAdvanced Materials and MechanicsSilk-based biomaterials and applications

Transformation of the Electrical Characteristics of Graphene Field-Effect Transistors with Fluoropolymer

Tae‐Jun Ha、Jongho Lee、Sk. Fahad Chowdhury 等 6 位作者2012-12-19ACS Applied Materials & Interfaces

We report on the improvement of the electronic characteristics of monolayer graphene field-effect transistors (FETs) by an interacting capping layer of a suitable fluoropolymer. Capping of monolayer graphene FETs with CYTOP improved the on-off current ratio from 5 to 10 as well as increased the field-effect mobility b…

Carbon Nanotubes in CompositesGraphene research and applicationsGraphene and Nanomaterials Applications

Intraperitoneal Delivery of Nanoparticles for Cancer Gene Therapy

Somayeh Hallaj‐Nezhadi、Crispin R Dass、Farzaneh Lotfipour2012-12-19Future Oncology

Nanoparticle-based gene delivery systems may be more efficient for administration of therapeutic genes to solid tumors and cancer metastases, owing to the numerous advantages in terms of enhanced tissue penetrability, improved cellular uptake and targeted gene delivery to the cells of interest compared with other gene…

Nanoparticle-Based Drug DeliveryIntraperitoneal and Appendiceal MalignanciesCancer Research and Treatments