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Improvements in the generalized hybrid orbital method

Simon M. Eckard、Thomas E. Exner2009-01-01International Journal of Quantum Chemistry

Abstract In a previous paper, we described the adaptation of the generalized hybrid orbital (GHO) method for the use in fragment based quantum chemical approaches for large molecules like the field‐adapted adjustable density matrix assembler (FA‐ADMA). It soon became evident that the limitations of the available imple…

Advanced Chemical Physics StudiesCrystallography and molecular interactionsMachine Learning in Materials Science

Enhancement of Electrical Conductivity of Copper/Carbon-Nanotube Composite Wire

N. Banno、T. Takeuchi2009-01-01Journal of the Japan Institute of Metals and Materials

Carbon nanotube (CNT) has excellent lightweight properties, mechanical properties and electric conductivity, and therefore CNT is expected as the next generation conductive wires for the electric devices or as wire harnesses for the motor vehicles etc. However, the CNT is very small materials, for instance usually the…

Carbon Nanotubes in CompositesFiber-reinforced polymer compositesSmart Materials for Construction

Calcium Phosphate Formation on Ti-Ag Alloys in Simulated Body Fluid

Masatoshi Takahashi、Masafumi Kikuchi、Kouki Hatori 等 6 位作者2009-01-01Journal of Biomechanical Science and Engineering

Ti-Ag alloys with 20 and 25 mass% Ag were prepared; their surfaces were polished using silicon carbide abrasive papers. The polished alloys were immersed in a simulated body fluid (SBF), and their surfaces were observed by scanning electron microscope (SEM) to investigate the spontaneous formation of calcium phosphate…

Bone Tissue Engineering MaterialsOrthopaedic implants and arthroplastyTitanium Alloys Microstructure and Properties

BRAZILIAN DISC TESTING OF A UK PBX APPROACHING THE GLASS TRANSITION CONDITION

David M. Williamson、S. J. P. Palmer、William G. Proud 等 9 位作者2009-01-01AIP conference proceedings

Previous research at the Cavendish Laboratory has shown a change in failure mechanism, from that of intergranular to transgranular failure, when PBX Brazilian disc specimens are tested below the glass transition condition of their binder system. The current study builds on this earlier research, illustrating how the s…

Electronic Packaging and Soldering TechnologiesEpoxy Resin Curing ProcessesEngineering and Material Science Research

A facile sonochemical route to morphology controlled nickel complex mesostructures

Qian Wang、Baoyou Geng、Shaozhen Wang 等 6 位作者2009-01-01CrystEngComm

This article presents the fabrication of shape-controllable crystalline nickel hydrazine complex structures via a simple sonochemical route. The morphologies of the nickel complex particles are self-organized into hexagonal plate-like and disk-like morphologies depending on the reaction conditions. A possible evolutio…

Micro and Nano RoboticsPickering emulsions and particle stabilizationElectrohydrodynamics and Fluid Dynamics

Synthesis of Gold Nanoparticle Using Halloysites

Jianjin Cao、Xianyong Hu、Dan Yu Jiang2009-01-01e-Journal of Surface Science and Nanotechnology

We report that gold nanoparticles were synthe-sized by reduction of HAuCl4 using halloysites. The synthe-sized samples were analyzed by a transmission electron microscope. The results show that the gold nanoparticles have strip-like, subcircle, and irregular shape, which are single crystals or polycrystals. Their shap…

Clay minerals and soil interactionsIron oxide chemistry and applicationsMineralogy and Gemology Studies

Investigation on Boronizing of N80 Tube Steel

Zhenzhong Su、Xiaobao Tian、Jian An 等 6 位作者2009-01-01ISIJ International

In present paper, boronizing was applied to N80 steel tube by pack boronizing, and its effect on mechanical properties, wear and corrosion of N80 tube steel was investigated. A dual-phase boride layer composed of FeB and F2B phases was formed on the surface of the steel substrate in a hardness range of 1220–1340 HV. A…

Metal and Thin Film MechanicsAdvanced materials and compositesMetal Alloys Wear and Properties

Electrodeposition and Thermoelectric Characterization of Bismuth Telluride Nanowires

Raja Mannam、Mangilal Agarwal、Amitava Roy 等 6 位作者2009-01-01Journal of The Electrochemical Society

Bismuth telluride nanowires were electrodeposited from aqueous acidic solutions containing different (20/20 and 20/10 mM) concentration ratios. The polarization plots predicted that combined solutions exhibit more noble reduction potentials than individual solutions. Optimized deposition potentials were obtained from…

Advanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsThermal properties of materials

A sextuple hydrogen bonding molecular duplex bearing 1,8-naphthalimide moieties and polymer light-emitting diode based on it

Jingjing Liu、Yi Wang、Guangdong Lei 等 9 位作者2009-01-01Journal of Materials Chemistry

In this paper, the molecular structure of a 1,8-naphthalimide fluorophore modified sextuple H-bond self-assembly homodimer, comprising two linear oligoamide molecular strands bearing arrays on one edge with complementary hydrogen bond sequences of DDADAA and AADADD, is characterized via1H NMR, ESI-MS, 13C NMR, and ele…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent Materials

Aerosol assisted chemical vapour deposition of Cu–ZnO composite from single source precursors

Muhammad Shahid、Muhammad Mazhar、Mazhar Hamid 等 7 位作者2009-01-01Dalton Transactions

Two heterobimetallic precursors [Zn(TFA)3(micro-OH)Cu3(dmae)3Cl].THF (1) and [Zn(TFA)4Cu3(dmae)4] (2) [dmae=N,N-dimethylaminoethanolate and TFA=trifluoroacetate], have been synthesized and characterized by their melting points, elemental analysis, FT-IR spectroscopy, mass spectrometry, TGA and single crystal X-ray dif…

ZnO doping and propertiesCopper Interconnects and ReliabilityCopper-based nanomaterials and applications

Martensitic Transformation of Cold-Rolled and Annealed Ti<SUB>50</SUB>Ni<SUB>40</SUB>Cu<SUB>10</SUB> Shape Memory Alloy

Kai-Nan Lin、S.K. Wu、Ling-Mei Wu2009-01-01MATERIALS TRANSACTIONS

This study investigates the cold-rolling effect on the formation of Ti(Ni,Cu)2 precipitates and on the change of transformation temperatures for hot-rolled (HR)/annealed (HRA) and HR/cold-rolled/annealed (CRA) Ti50Ni40Cu10 specimens. Particle-like Ti(Ni,Cu)2 precipitates formed in CRA are more numerous and smaller tha…

Magnetic and transport properties of perovskites and related materialsShape Memory Alloy TransformationsTitanium Alloys Microstructure and Properties

Regulating the physicochemical and catalytic properties of layered aluminosilicates

M. N. Timofeeva、С. Ц. Ханхасаева2009-01-01Kinetics and Catalysis

Basic methods of the introduction of metal ions into the interlayer space of natural layered aluminosilicate (LAS) are considered. The physicochemical and structural properties of pillared LAS’s depend on the nature of the cation, as well as on the cation intercalation method and conditions. The catalytic properties a…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisLayered Double Hydroxides Synthesis and Applications

LEED analysis of the surface structure of decagonal Al–Co–Ni using its W-approximant as a model structure

K. Pussi、Renee D. Diehl2009-01-01Zeitschrift für Kristallographie - Crystalline Materials

Abstract The analysis of low-energy electron diffraction (LEED) intensities from quasicrystal surfaces requires the use of periodic model structures that contain the same structure features as the quasicrystal. In this paper, we present the analysis of LEED data from 10-fold decagonal Al–Co–Ni using the W approximant…

Intermetallics and Advanced Alloy PropertiesQuasicrystal Structures and PropertiesX-ray Diffraction in Crystallography

Ultrasound assosted enhancement in wattle bark (acacia mollissima vegetable tanning extraction for leather processing

P. Srinandini、G. Swaminathan、V. Sivakumar 等 5 位作者2009-01-01Journal of the American Leather Chemists Association

This paper analyzes the effect of ultrasound on a batch wattle bark tannin extraction process. Extraction from wattle bark presents a unique case of a two-component system in the form of condensed tannins and non-tannins. Hence, quantitative analysis of tannin content in the extract by spectrophotometery as well as to…

Lignin and Wood ChemistryCollagen: Extraction and Characterization

Effect of oxygen vacancy defect on the magnetic properties of Co-doped ZnO diluted magnetic semiconductor

CHEN Jing、G.-X. Jin、Ma Yu-Qiang 等 4 位作者2009-01-01Acta Physica Sinica

Zn095Co005O films were prepared under different oxygen partial pressure P by magnetron sputtering. The effect of P on the magnetic and electrical properties was investigated. The effect of oxygen vacancy on the magnetic properties was also calculated by first-principles calculation. The experimental results indicate…

ZnO doping and propertiesCopper-based nanomaterials and applications

Small-Angle Neutron Scattering for Molecular Biology: Basics and Instrumentation

William T. Heller、Kenneth C. Littrell2009-01-01Methods in molecular biology

As researchers strive to understand the interplay between the complex molecular systems that make up living cells, tools for characterizing the interactions between the various players involved have developed. Small-angle neutron scattering (SANS) plays an important role in building a molecular-level understanding of…

Protein Structure and DynamicsLipid Membrane Structure and BehaviorEnzyme Structure and Function

Electrical Conductivity of Chlorophyll with Polythiophene Thin Film on Indium Tin Oxide as P-N Heterojunction Solar Cell

M. F. A. Aziz、S. Hasiah、F. L. M. Rasul 等 6 位作者2009-01-01AIP conference proceedings

The aim of this research was to study the electrical conductivity for electrical conductivity of chlorophyll with polythiophene (PT) thin film on indium tin oxide as P‐N heterojunction solar cell. The polythiophene thin film is deposited to the Indium Tin Oxide (ITO) substrate using electrochemistry method. The chloro…

Electrochemical sensors and biosensorsConducting polymers and applicationsNanotechnology research and applications

Fabrication of Gd[sub 2]O[sub 3]-Doped CeO[sub 2] Thin Films for Single-Chamber-Type Solid Oxide Fuel Cells and Their Characterization

Sun Choi、Cheol Seong Hwang、Hae-Weon Lee 等 4 位作者2009-01-01Journal of The Electrochemical Society

-doped (GDC) thin-film electrolytes with lateral-type electrode geometry for integrated single-chamber solid oxide fuel cells (SOFCs) were prepared by dc/radio-frequency reactive magnetron sputtering. The morphological and electrical properties of the GDC films with various electrode geometries were characterized by X…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Proteolytic Enzymes of Some Laticiferous Plants Belonging to Khandesh Region of Maharashtra, India

Shamkant B. Badgujar、Raghunath T. Mahajan2009-01-01Journal of Pharmacy Research

To identify the potent source of protease that can be used as ideal milk clotting enzyme(s) in handmade dairy products of latex obtained from twenty one plant species belonging to Northern (Khandesh) region of Maharashtra, India, was analyzed for caseinolytic activity, milk clotting activity, gelatinolytic activity an…

Ethnobotanical and Medicinal Plants StudiesNatural product bioactivities and synthesisPhytochemistry and Bioactive Compounds

Influence Pre-Treatment On The Properties Of Lignocellulose Based Biocomposite

Suradi S.S、Rozan Mohamad Yunus2009-01-01UMP Institutional Repository (Universiti Malaysia Pahang)

Natural fibers are gaining progressive account as a renewable, environmentally acceptable,&#13;\nand biodegradable reinforcing fibre which combine acceptable mechanical properties with&#13;\na low density. The utilization of biomass (lignocelluloses) for the processing of novel&#13;\ncomposites has attracted growing i…

Natural Fiber Reinforced CompositesAdvanced Cellulose Research Studiesbiodegradable polymer synthesis and properties