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Specifics of freezing of Lennard-Jones fluid confined to molecularly thin layers

Aleksey Vishnyakov、Alexander V. Neimark2003-04-17The Journal of Chemical Physics

Freezing of a Lennard-Jones fluid between solid surfaces was studied using grand canonical Monte Carlo and molecular dynamics simulations. We explored the formation of frozen phases of hexagonal and orthorhombic symmetry in mono-, bi-, and tri-layer structures. The freezing transition, the type of lattice, and transla…

Phase Equilibria and ThermodynamicsMaterial Dynamics and Propertiesnanoparticles nucleation surface interactions

Precipitation-induced photostimulated luminescence in CsBr:Eu2+

P. Hackenschmied、Gabi Schierning、Miroslaw Batentschuk 等 4 位作者2003-04-17Journal of Applied Physics

This article concerns the unusual storage mechanism in the x-ray storage phosphor CsBr:Eu2+. Data are presented and discussed regarding the identification of x-ray diffraction patterns and the photostimulated luminescence (PSL) intensity as a function of the annealing temperature for various Eu concentrations of CsBr:…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator TechnologiesSolid-state spectroscopy and crystallography

Effects of lignin as a filler on properties of soy protein plastics. II. Alkaline lignin

Jin Huang、Lina Zhang、Pu Chen2003-04-17Journal of Applied Polymer Science

Abstract Blend plastics based on soy protein isolate (SPI) strengthened with alkaline lignin (AL) in the weight ratio of 10:0 to 5:5 were prepared with 40 wt % glycerol as a plasticizer by compression molding. The structure and mechanical properties of the blends were investigated by wide‐angle X‐ray diffraction (WAXD…

Nanocomposite Films for Food Packagingbiodegradable polymer synthesis and propertiesLignin and Wood Chemistry

Synthesis, spectroscopic characterisation and structure of the first chiral heteroleptic bis(phthalocyaninato) rare earth complexesElectronic supplementary information (ESI) available: 1H NMR spectrum of {SmIII(Pc)[Pc(OC5H11)4]}– in CDCl3/DMSO-d6 (1∶1) in the presence of a few drops of hydrazine hydrate. See http://www.rsc.org/suppdata/cc/b3/b301139a/

Yongzhong Bian、Rongming Wang、Jianzhuang Jiang 等 6 位作者2003-04-17Chemical Communications

Treatment of MIII(Pc)(acac) (M = Sm, Eu, Gd; Pc = phthalocyaninate; acac = acetylacetonate), generated in situ, with 3-(3-pentyloxy)phthalonitrile in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in n-pentanol affords racemic mixtures of the chiral double-deckers MIII(Pc)[Pc(OC5H11)4] [Pc(OC5H11)4 = 1,8,15,…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Thermophysical properties of liquid refractory metals: Comparison between hard sphere model calculation and electrostatic levitation measurements

Takehiko Ishikawa、Paul‐François Paradis、Toshio Itami 等 4 位作者2003-04-17The Journal of Chemical Physics

Thermophysical properties of molten refractory metals (titanium, zirconium, hafnium, and niobium) have been measured using a containerless method. Using an in-house developed electrostatic levitator, the density, the heat capacity, the entropy, the surface tension, and the viscosity of liquid phases have been measured…

Solidification and crystal growth phenomenananoparticles nucleation surface interactionsElectrohydrodynamics and Fluid Dynamics

Field emission of large-area and graphitized carbon nanotube array on anodic aluminum oxide template

Han Gao、Cheng Mu、Fan Wang 等 10 位作者2003-04-17Journal of Applied Physics

Large-area, graphitized, and patterned carbon nanotube (CNT) arrays were prepared via cracking of ethylene on an open-ended anodized aluminum oxide (AAO) template that also served as a catalyst. With ion-milling and gold coating techniques, ohmic contact between the CNTs and electrode for field emission measurements w…

Carbon Nanotubes in CompositesNanowire Synthesis and ApplicationsAnodic Oxide Films and Nanostructures

Composition anisotropy compensation and spontaneous magnetostriction in Tb0.2Dy0.8−xPrx(Fe0.9B0.1)1.93 alloys

Weijun Ren、Zhandong Zhang、Xiaofeng Song 等 5 位作者2003-04-17Applied Physics Letters

The possibility of the composition anisotropy compensating in Dy1−xPrxFe2 is discussed phenomenologically, based on a single ion approach. The crystal structure, the easy magnetization direction, and the spontaneous magnetostriction of Tb0.2Dy0.8−xPrx(Fe0.9B0.1)1.93 (0⩽x⩽0.7) alloys are studied. Single-phase Tb0.2Dy0.…

Magnetic properties of thin filmsMicrostructure and Mechanical Properties of SteelsMagnetic Properties and Applications

Thermoelectric properties of a clathrate compound Ba8Cu16P30

Dexuan Huo、Tetsuya Sasakawa、Yuji Muro 等 4 位作者2003-04-17Applied Physics Letters

We report the electrical resistivity (ρ), thermoelectric power (S), thermal conductivity (κ), and specific heat (C) for the clathrate compound Ba8Cu16P30, in which polyhedral cages are composed of Cu and P atoms. Being in contrast to the n-type conduction in most of clathrate compounds, a p-type metallic conduction in…

Physics of Superconductivity and MagnetismAdvanced Thermoelectric Materials and DevicesMagnetic and transport properties of perovskites and related materials

Doping effects on the phase separation in perovskiteLa0.67−xBixCa0.33MnO3

Jirong Sun、Jie Gao、Y. Fei 等 5 位作者2003-04-17Physical review. B, Condensed matter

Effects of Bi, Cr, and Fe doping on phase separation of ${\mathrm{La}}_{0.67}{\mathrm{Ca}}_{0.33}{\mathrm{MnO}}_{3}$ have been experimentally studied. As proved by the electron-spin resonance and neutron-diffraction studies, partial replacement of La by Bi causes the simultaneous occurrence of ferromagnetic (FM) phase…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Freezing and melting of Ar in mesopores studied by optical transmission

Victor P. Soprunyuk、Dirk Wallacher、Patrick Huber 等 5 位作者2003-04-17Physical review. B, Condensed matter

Ar condensates in a porous Vycor glass with an average pore diameter of 10 nm have been studied by optical transmission. Cooling-heating cycles have been performed through the freezing and melting transition for samples with different fractional fillings. Freezing leads to a decrease of the transmission up to four ord…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesAerogels and thermal insulation

Substrate induced strain effects in epitaxial La0.67−xPrxCa0.33MnO3 thin films

Tom Wu、S. B. Ogale、S. R. Shinde 等 8 位作者2003-04-17Journal of Applied Physics

We have studied the physical properties of epitaxial La0.67−xPrxCa0.33MnO3(LPCMO) (x=0.13, 0.20, 0.27) thin films under different type and degree of substrate induced biaxial strain. Films with thickness of 300, 600, and 1000 Å grown on crystalline NdGaO3 (negligible strain), LaAlO3 (compressive strain), and SrTiO3 (t…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

First comparative emission assay of single-wall carbon nanotubes—solutions and dispersions

Dirk M. Guldi、Michael Holzinger、Andreas Hirsch 等 5 位作者2003-04-17Chemical Communications

A variety of single-wall carbon nanotube samples were tested in steady-state and time-resolved emission experiments, where it was found that chemical functionalization and different degrees of oxidation affect the emission behavior.

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Structural, electric and magnetic properties of the electron-doped manganese oxide: La1−xTexMnO3 (x=0.1, 0.15)

Guotai Tan、Songyuan Dai、Ping Duan 等 6 位作者2003-04-17Journal of Applied Physics

In this study, the electrical and magnetic properties of La1−xTexMnO3 (x=0.1, 0.15), which is a new material and shows good colossal magnetoresistance behavior, have been investigated. These compounds have rhombohedral structure. In this material, Te replaced a part of La ions, which induced the lattice cell constrict…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Chemical reactivity of metcar Ti8C12, nanocrystal Ti14C13 and a bulk TiC(001) surface: A density functional study

Ping Liu、José A. Rodríguez、Hua Hou 等 4 位作者2003-04-17The Journal of Chemical Physics

Density functional calculations show that the “magic” structures of titanium carbide nanoparticles display an unexpected high reactivity toward CO, NH3, and H2O when compared to the bulk TiC(001) surface. In spite of the large C/Ti ratio in Ti8C12, our results show that the bulk surface is much more tightly bonded tha…

Boron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsAdvanced materials and composites

Oriented single-crystal diamond cones and their arrays

Wenjun Zhang、Xiangeng Meng、C. Y. Chan 等 6 位作者2003-04-17Applied Physics Letters

One of the major problems in material science has been the difficulty in modification of the most endurable material, diamond, due to its extreme hardness and chemical inertness. Here, we report the development of a conical structure of diamond by performing bias-assisted reactive ion etching in hydrogen plasma. The d…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchIon-surface interactions and analysis

Multiscale simulation of phonon transport in superlattices

Patrick K. Schelling、Simon R. Phillpot2003-04-17Journal of Applied Physics

A particle-based model for phonon transport and the scattering of phonon wave packets at interfaces is developed. The model, which incorporates the interference effects associated with the wave nature of phonons, is parametrized with frequency-dependent scattering rates obtained from molecular-dynamics simulations of…

Advanced Thermoelectric Materials and DevicesThermal properties of materialsThermal Radiation and Cooling Technologies

Phonon spectrum and thermal properties of cubic Si3N4 from first-principles calculations

Chun Fang、G. A. de Wijs、H.T. Hintzen 等 4 位作者2003-04-17Journal of Applied Physics

The phonon spectrum of cubic Si3N4 was calculated by first-principles techniques. The results permit an assessment of important mechanical and thermo-dynamical properties such as the bulk modulus, lattice specific heat, vibration energy, thermal expansion coefficient, and thermal Grüneisen parameter for this compound.…

Advanced ceramic materials synthesisMetal and Thin Film MechanicsBoron and Carbon Nanomaterials Research

Direct current field and temperature dependent behaviors of antiferroelectric to ferroelectric switching in highly (100)-oriented PbZrO3 thin films

Jiwei Zhai、Haydn Chen2003-04-17Applied Physics Letters

Antiferroelectric PbZrO3 films had been grown on LaNiO3/Pt/Ti/SiO2/Si wafers using a sol-gel process. The electric field-induced antiferroelectric (AFE) to ferroelectric (FE) phase switching behaviors was examined by the polarization versus electrical field measurements as a function of temperature and film thickness.…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Spectroscopy of individual silicon nanowires

Jifa Qi、Angela M. Belcher、John White2003-04-17Applied Physics Letters

Photoluminescence (PL) spectroscopy of individual silicon nanowires has been investigated. A narrow emission band (85 meV) was observed associated with a fast luminescence decay in the picosecond region and is considered due to the recombination relaxation of confined electronic states. The optical anisotropy was foun…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsSemiconductor materials and interfaces

Effects of lignin as a filler on properties of soy protein plastics. I. Lignosulfonate

Jin Huang、Lina Zhang、Fangeng Chen2003-04-17Journal of Applied Polymer Science

Abstract A series of biodegradable plastics from soy protein isolate (SPI) and lignosulfonate (LS) with a weight ratio of 0:10 to 6:4 were prepared with 40 wt % glycerol as a plasticizer by compression molding. Their properties were investigated by wide‐angle X‐ray diffraction (WAXD), differential scanning calorimetry…

Nanocomposite Films for Food Packagingbiodegradable polymer synthesis and propertiesLignin and Wood Chemistry