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Study for the Effect of Continuously Applied Load on a Compressed Ag Nanoparticle at Room Temperature by Atomic Scale Simulations

Lin Zhang2016-04-07Journal of the Physical Society of Japan

Molecular dynamics calculations are reported for structural transition of a compressed Ag nanoparticle containing 2123 atoms with a crystal structure during the processes of continuously applied load at room temperature. Analytical tools are used to demonstrate the effect of the load on the packing patterns in this de…

Advanced Chemical Physics StudiesGold and Silver Nanoparticles Synthesis and Applicationsnanoparticles nucleation surface interactions

Radical‐Initiated Reaction of Methyl Linoleate with Dialkyl Phosphites

Grigor B. Bantchev、Girma Biresaw、Debra E. Palmquist 等 4 位作者2016-04-07Journal of the American Oil Chemists Society

Abstract The addition of dialkyl phosphite (methyl, ethyl and n‐butyl) to methyl linoleate (MeLin) double bonds was investigated. The reaction proved to be more challenging than the analogous reaction with methyl oleate (MeOl), due to inhibition of the radical reaction by the bis‐allylic hydrogens of MeLin and the low…

Polyoxometalates: Synthesis and ApplicationsChemical Synthesis and ReactionsSulfur-Based Synthesis Techniques

Packing of Large Two- and Three-Photon Activity Into Smallest Possible Unsymmetrical Fluorene Chromophores

Varun Kundi、Pompozhi Protasis Thankachan2016-04-07The Journal of Physical Chemistry A

The quantum chemical study of one-, two-, and three-photon absorption (1PA, 2PA, and 3PA) properties for a set of compact fluorene derivatives (FD) with combination of different donor and acceptor moieties on both sides of fluorene ring system is presented. The main goal of the study is to pack large two-photon (2P) a…

Photochemistry and Electron Transfer StudiesPhotochromic and Fluorescence ChemistryNonlinear Optical Materials Studies

Characterization of ibuprofen microparticle and improvement of the dissolution

Fuzheng Ren、Jianping Su、Hui Xiong 等 6 位作者2016-04-07Pharmaceutical Development and Technology

The objective of this study was to prepare ibuprofen (IBP) microparticles by pH-change method and enhance the dissolution rate in vitro. Tween80 and Cremophor RH40 were selected as stabilizers to change the microparticles morphology. The microparticles were evaluated by dissolution profiles and characterized by differ…

Drug Solubulity and Delivery SystemsAdvanced Drug Delivery SystemsCrystallization and Solubility Studies

Isotope effect on electron-phonon interaction in the multiband superconductor MgB2

Daixiang Mou、Soham Manni、Valentin Taufour 等 8 位作者2016-04-07Physical review. B./Physical review. B

We investigate the effect of isotope substitution on the electron-phonon interaction in the multiband superconductor ${\mathrm{MgB}}_{2}$ using tunable laser-based angle-resolved photoemission spectroscopy. The kink structure around 70 meV in the $\ensuremath{\sigma}$ band, which is caused by electron coupling to the…

Physics of Superconductivity and MagnetismIron-based superconductors researchSuperconductivity in MgB2 and Alloys

Optimal rotor shape design of 3-step skew spoke type BLAC motor to reducing cogging torque

Sung-An Kim、Gui-Dong Choi、Ju Lee 等 4 位作者2016-04-07International Journal of Applied Electromagnetics and Mechanics

In electric power steering (EPS), spoke type brushless ac (BLAC) motors offer distinct advantages over other electric motor types in terms of torque smoothness, reliability and efficiency. This paper deals with the shape optimization of spoke type BLAC motor, in order to minimization cogging torque. In this paper exam…

Electric Motor Design and AnalysisMagnetic Properties and ApplicationsMagnetic Bearings and Levitation Dynamics

Optical second harmonic generation from nanostructure-covered micro-cubes on nickel

Yoichi Ogata2016-04-07Optical Materials Express

In this study, we aimed to create the nano-micro hierarchical surface structures on Ni and analyze their optical second harmonic generation (SHG) response. The hierarchical surface structures were found to significantly modify the optical nonlinearity of the metal surface. The macroscopic symmetry of the surface’s sha…

Plasmonic and Surface Plasmon ResearchOptical Coatings and GratingsNonlinear Optical Materials Studies

High Oxidation Tolerance of Ru Nanoparticles on 12CaO·7Al2O3 Electride

Hitoshi Abe、Y. Niwa、Masaaki Kitano 等 8 位作者2016-04-07The Journal of Physical Chemistry C

A high tolerance to oxidation of Ru nanoparticles loaded on 12CaO·7Al 2 O 3 (C12A7) was examined by in situ X-ray absorption fine structure (XAFS). Ru nanoparticles on electron-doped C12A7 (C12A7:e – ) and stoichiometric C12A7 (C12A7:O 2– ) are robust to oxidation, while those on Al 2 O 3 and on MgO with Cs promoters…

Catalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionNanomaterials for catalytic reactions

Determination of Coulomb’s Friction Coefficient Directly from Cylinder Compression Tests

Deniz Duran、Celalettin Karadoğan2016-04-07Strojniški vestnik – Journal of Mechanical Engineering

In this paper, a new method is proposed for the determination of Coulomb's friction coefficient directly from cylinder compression tests. It is based on measuring the immigrated contact area (ICA), which is defined as the lateral surface that comes into contact with the platens after deformation. Preliminary sensitivi…

Metal Forming Simulation TechniquesHigh-Velocity Impact and Material BehaviorEngineering Structural Analysis Methods

Effect of metal-to-metal interface states on the electric-field modified magnetic anisotropy in MgO/Fe/non-magnetic metal

Xiaoxu Guan、Xiaomin Cheng、Tao Huang 等 6 位作者2016-04-07Journal of Applied Physics

The impact of metal-to-metal interface on electric-field modified magnetic anisotropy in MgO/Fe/non-magnetic metal (Ta, Pt, Au) is revealed by density functional calculations. We demonstrate that the contribution from the metal-to-metal interface can be strong enough to dominate the electric field effect on magnetic a…

Magnetic properties of thin filmsMagnetic and transport properties of perovskites and related materialsHeusler alloys: electronic and magnetic properties

Low Temperature Properties of UV Aged Asphalts Containing Layered Double Hydroxides Modifier

Wenbo Zeng、Shaopeng Wu、Yue Xiao 等 5 位作者2016-04-07Journal of Applied Biomaterials & Functional Materials

BACKGROUND: In recent years, ultraviolet (UV) ageing of asphalt has attracted worldwide attention from researchers in the asphalt field. The UV radiation can result in the ageing of asphalt and thus influence its performance. So far, a variety of UV blocking materials have been investigated. AIM: In this paper, layere…

Concrete and Cement Materials ResearchAsphalt Pavement Performance EvaluationLayered Double Hydroxides Synthesis and Applications

Density Functional Theory Investigations of Ferrocene-Terminated Self-Assembled Monolayers: Electronic State Changes Induced by Electric Dipole Field of Coadsorbed Species

Yasuyuki Yokota、Sumito Akiyama、Y. Kaneda 等 7 位作者2016-04-07The Journal of Physical Chemistry C

Ferrocene-terminated self-assembled monolayers (SAMs) have been widely studied in the past quarter century to reveal the electrochemical properties of chemically modified electrodes. It has been well-known that the formal potential of the system strongly depends on the local environment of the ferrocene moiety. Althou…

Electrocatalysts for Energy ConversionQuantum Dots Synthesis And PropertiesMolecular Junctions and Nanostructures

Nitrite Reductase Activity in Engineered Azurin Variants

Steven M. Berry、Jacob Nicholas Strange、Erika L. Bladholm 等 6 位作者2016-04-07Inorganic Chemistry

Nitrite reductase (NiR) activity was examined in a series of dicopper P.a. azurin variants in which a surface binding copper site was added through site-directed mutagenesis. Four variants were synthesized with copper binding motifs inspired by the catalytic type 2 copper binding sites found in the native noncoupled d…

Metalloenzymes and iron-sulfur proteinsMetal-Catalyzed Oxygenation MechanismsAdvanced Nanomaterials in Catalysis

Determination of trace uranium (VI) using its self-assembly with a tetradentate–monodentate ditopic ligand by resonance light scattering

Shijun Li、Lifu Liao、Ru‐Rong Wu 等 5 位作者2016-04-07International Journal of Environmental & Analytical Chemistry

We describe here a resonance light scattering (RLS) method for uranium (VI) detection by using phosphorylethanol-amido-salophen (PAS) as optical probe. PAS is a tetradentate–monodentate ditopic ligand in which the tetradentate and monodentate ligands are salophen moiety and phosphate group, respectively. PAS can chela…

Analytical chemistry methods developmentRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

Kinetics of Adsorption of Methylcyclopentadienyl Manganese Tricarbonyl on Copper Surfaces and Implications for the Atomic Layer Deposition of Thin Solid Films

Menno Bouman、Francisco Zaera2016-04-07The Journal of Physical Chemistry C

The kinetics of the thermal chemistry of methylcyclopentadienyl manganese tricarbonyl on copper surfaces was followed by infrared absorption spectroscopy analysis of the gas surrounding the substrate. Dissociative adsorption of the MeCpMn(CO) 3 precursor was seen at low temperatures, below 400 K, and was determined to…

Catalytic Processes in Materials ScienceSemiconductor materials and devicesElectronic and Structural Properties of Oxides

Electrical resistance of single-crystal magnetite (Fe3O4) under quasi-hydrostatic pressures up to 100 GPa

Takaki Muramatsu、L. V. Gasparov、H. Berger 等 5 位作者2016-04-07Journal of Applied Physics

The pressure dependence of electrical resistance of single-crystal magnetite (Fe3O4) was measured under quasi-hydrostatic conditions to 100 GPa using low-temperature, megabar diamond-anvil cell techniques in order to gain insight into the anomalous behavior of this material that has been reported over the years in dif…

High-pressure geophysics and materialsMagnetic Properties and Synthesis of FerritesAdvanced Condensed Matter Physics

Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth–Transition Metal Heterometallic Precursors

Craig M. Lieberman、Zheng Wei、Alexander S. Filatov 等 4 位作者2016-04-07Inorganic Chemistry

A new series of heteroleptic bismuth-transition metal β-diketonates [BiM(hfac)3(thd)2] (M = Mn (1), Co (2), and Ni (3); hfac = hexafluoroacetylacetonate, thd = tetramethylheptanedionate) with Bi:M = 1:1 ratio have been synthesized by stoichiometric reactions between homometallic reagents [Bi(III)(hfac)3] and [M(II)(th…

Magnetic and transport properties of perovskites and related materialsInorganic Chemistry and MaterialsThermal Expansion and Ionic Conductivity

Dimensionality Reduction in Transient Simulations: A Diffusion Maps Approach

Claudia M. C. Arvizu、A.R. Messina2016-04-07IEEE Transactions on Power Delivery

A mathematically rigorous framework combining diffusion map analysis techniques with simulation data from electromagnetic transient programs is proposed to characterize the collective dynamics of transient processes. The framework can be used to compress and analyze large and complex data sets obtained from transient…

Probabilistic and Robust Engineering DesignModel Reduction and Neural NetworksMagnetic Properties and Applications

Efficient and robust strain limiting and treatment of simultaneous collisions with semidefinite programming

Zhendong Wang、Tongtong Wang、Min Tang 等 4 位作者2016-04-07Computational Visual Media

We present an efficient and robust method which performs well for both strain limiting and treatment of simultaneous collisions. Our method formulates strain constraints and collision constraints as a serial of linear matrix inequalities (LMIs) and linear polynomial inequalities (LPIs), and solves an optimization prob…

Cellular and Composite StructuresElasticity and Material ModelingHigh-Velocity Impact and Material Behavior

Biaxial Thermal Creep of Alloy 617 and Alloy 230 for VHTR Applications

Kun Mo、Wei Lv、Hsiao-Ming Tung 等 7 位作者2016-04-07Journal of Engineering Materials and Technology

In this study, we employed pressurized creep tubes to investigate the biaxial thermal creep behavior of Inconel 617 (alloy 617) and Haynes 230 (alloy 230). Both alloys are considered to be the primary candidate structural materials for very high-temperature reactors (VHTRs) due to their exceptional high-temperature me…

High Temperature Alloys and CreepIntermetallics and Advanced Alloy PropertiesNuclear Materials and Properties