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Scaled Particle Theory Revisited: New Conditions and Improved Predictions of the Properties of the Hard Sphere Fluid

Michael Heying、David S. Corti2004-10-21The Journal of Physical Chemistry B

We revisit the successful scaled particle theory (SPT) of hard particle fluids, originally developed by Reiss, Frisch, and Lebowitz ( J. Chem. Phys. 1959, 31, 369). In the initial formulation of SPT, five exact conditions were derived that constrained the form of the central function G . Only three of these conditions…

Theoretical and Computational PhysicsPhase Equilibria and ThermodynamicsMaterial Dynamics and Properties

Optical Emission of a Conjugated Polyelectrolyte: Calcium-Induced Conformational Changes in Calmodulin and Calmodulin−Calcineurin Interactions

K. Peter R. Nilsson、Olle Inganäs2004-10-21Macromolecules

Electronic polymers in aqueous media offer bioelectronic detection of biomolecular processes. Here we report fluorometric detection of calcium-induced conformational changes in calmodulin based on noncovalent assembly of calmodulin to a water-soluble zwitterionic polythiophene derivative. Assembly with calmodulin will…

Polydiacetylene-based materials and applicationsConducting polymers and applicationsLuminescence and Fluorescent Materials

On the Excitation Wavelength Dependence of the Luminescence Yield of Colloidal CdSe Quantum Dots

Dino Tonti、Frank van Mourik、Majed Chergui2004-10-21Nano Letters

Absorption and photoluminescence excitation (PLE) spectra have been recorded for colloidal CdSe quantum dots of different sizes. We find no significant deviation between the PLE and the absorption spectra, provided appropriate corrections and sample treatment are made. This implies that there is no intrinsic wavelengt…

Chalcogenide Semiconductor Thin FilmsNanocluster Synthesis and ApplicationsQuantum Dots Synthesis And Properties

Microscopic models for dielectric relaxation in disordered systems

Yuri P. Kalmykov、William T. Coffey、D S F Crothers 等 4 位作者2004-10-21Physical Review E

It is shown how the Debye rotational diffusion model of dielectric relaxation of polar molecules (which may be described in microscopic fashion as the diffusion limit of a discrete time random walk on the surface of the unit sphere) may be extended to yield the empirical Havriliak-Negami (HN) equation of anomalous die…

Material Dynamics and PropertiesFractional Differential Equations SolutionsAdvanced Thermodynamics and Statistical Mechanics

Suite of three protein crystallography beamlines with single superconducting bend magnet as the source

Alastair A. MacDowell、Richard Celestre、M. Howells 等 20 位作者2004-10-21Journal of Synchrotron Radiation

At the Advanced Light Source, three protein crystallography beamlines have been built that use as a source one of the three 6 T single-pole superconducting bending magnets (superbends) that were recently installed in the ring. The use of such single-pole superconducting bend magnets enables the development of a hard X…

Advanced X-ray Imaging TechniquesAdvanced Electron Microscopy Techniques and ApplicationsEnzyme Structure and Function

Nanoscale carbon nanotube motor schematics and simulations for micro-electro-mechanical machines

Jeong Won Kang、Sung‐Ho Hwang2004-10-21Nanotechnology

We investigated nanoscale engine schematics composed of a carbon nanotube oscillator, motor, channel, nozzle, etc. For the fluidic gas driven carbon nanotube motor, the origination of the torque was the friction between the carbon nanotube surface and the fluidic gases. The density and flow rate of the working gas or…

Mechanical and Optical ResonatorsForce Microscopy Techniques and ApplicationsCarbon Nanotubes in Composites

Neural Network Models of Potential Energy Surfaces: Prototypical Examples

James B. Witkoskie、Douglas J. Doren2004-10-21Journal of Chemical Theory and Computation

Neural networks can be used generate potential energy hypersurfaces by fitting to a data set of energies at discrete geometries, as might be obtained from ab initio calculations. Prior work has shown that this method can generate accurate fits in complex systems of several dimensions. The present paper explores fundam…

Neural Networks and ApplicationsMachine Learning in Materials ScienceModel Reduction and Neural Networks

Living Radical Polymerization by Polyhedral Oligomeric Silsesquioxane-Holding Initiators: Precision Synthesis of Tadpole-Shaped Organic/Inorganic Hybrid Polymers

Kohji Ohno、Satoshi Sugiyama、Kyoungmoo Koh 等 10 位作者2004-10-21Macromolecules

Incompletely condensed polyhedral oligomeric silsesquioxane (POSS) with the highly reactive group of trisodium silanolate was used for the synthesis of two initiators for atom transfer radical polymerization, one with a 2-bromoisobutyl group and the other with a chlorosulfonyl group. These initiators were applied to s…

Synthesis and characterization of novel inorganic/organometallic compoundsAdvanced ceramic materials synthesisSilicone and Siloxane Chemistry

Insights into microstructural evolution from nanocrystallineSnO2thin films prepared by pulsed laser deposition

Ze Chen、J.K.L. Lai、C.H. Shek2004-10-21Physical Review B

Low-dimensional nanostructures of $\mathrm{Sn}{\mathrm{O}}_{2}$ thin films with the interesting features of the tetragonal rutile structure have been prepared by pulsed laser deposition. The microstructural evolution of nanocrystalline $\mathrm{Sn}{\mathrm{O}}_{2}$ thin films has been investigated using x-ray diffract…

Gas Sensing Nanomaterials and SensorsElectronic and Structural Properties of OxidesZnO doping and properties

Molecular-beam epitaxy of (Zn,Mn)Se on Si(100)

T. Slobodskyy、C. Rüster、R. Fiederling 等 8 位作者2004-10-21arXiv

We have investigated the growth by molecular-beam epitaxy of the II-VI diluted magnetic semiconductor (Zn,Mn)Se on As-passivated Si(100) substrates. The growth start has been optimized by using low-temperature epitaxy. Surface properties were assessed by Nomarski and scanning electron microscopy. Optical properties of…

Materials Science

Theoretical Principles of Single-Molecule Electronics: A Chemical and Mesoscopic View

Yongqiang Xue、Mark A. Ratner2004-10-21arXiv

Exploring the use of individual molecules as active components in electronic devices has been at the forefront of nanoelectronics research in recent years. Compared to semiconductor microelectronics, modeling transport in single-molecule devices is much more difficult due to the necessity of including the effects of t…

Materials ScienceMesoscale and Nanoscale Physics

Radiation damage to a protein solution, detected by synchrotron X-ray small-angle scattering: dose-related considerations and suppression by cryoprotectants

Shigeo Kuwamoto、Shuji Akiyama、Tetsuro Fujisawa2004-10-21Journal of Synchrotron Radiation

In small-angle X-ray scattering experiments at high-brilliant synchrotron sources, protein aggregation results from radiation damage. The radiation-induced aggregation of lysozyme in solution was qualitatively evaluated based on forward scattering and radii of gyration. The scattering did not change below 400 Gy and i…

Radiation Effects and DosimetryEnzyme Structure and FunctionHeat shock proteins research

Kinetic processes: crystal growth, diffusion, and phase transitions in materials

作者信息未提供2004-10-21Materials Today

Jackson covers the kinetic processes that govern the formation of solids.He connects the basic processes at the atomic level to material properties.Diffusion processes during crystal growth and phase transitions are discussed, along with approaches often used to approximate the complex mathematics.An emphasis is place…

Solidification and crystal growth phenomenaChemical and Physical Properties of MaterialsMetallurgical and Alloy Processes

Off-centerTimodel of barium titanate

R. Pirc、R. Blinc2004-10-21Physical Review B

It has recently been shown by NMR techniques that in the high-temperature cubic phase of ${\mathrm{BaTiO}}_{3}$ the $\mathrm{Ti}$ ions are not confined to the high-symmetry cubic sites, but rather occupy one of the eight off-center positions along the $[111]$ directions. The off-center $\mathrm{Ti}$ picture is in appa…

Ferroelectric and Piezoelectric MaterialsSolid-state spectroscopy and crystallographyPhotorefractive and Nonlinear Optics

Underetching from simple stochastic etching kinetics

Jens Christian Claussen、Jürgen Carstensen2004-10-21arXiv

The morphological richness of electrochemical semiconductor etching is not sufficiently counterparted yet by theoretical modeling. This paper investigates a minimal version of the Current-Burst model with Aging of Föll and Carstensen and demonstrates for a restricted geometry that the Aging concept is essential for un…

Materials Science

Negative Refraction and Subwavelength Lensing in a Polaritonic Crystal

X. Wang、K. Kempa2004-10-21arXiv

We show that a two-dimensional polaritonic crystal, made of metallic rods that support well defined plasmon oscillations, can act in a narrow frequency range as a medium in which a negative refraction and subwavelength lensing can occur. We show that surface modes are excited on the surface of the lens, and that they…

Materials Science

Origin of spontaneous electric dipoles in homonuclear niobium clusters

Kristopher Andersen、Vijay Kumar、Yoshiyuki Kawazoe 等 4 位作者2004-10-21arXiv

Surprisingly large spontaneous electric dipole moments recently observed in homonuclear niobium clusters below 100 K (Moro el. al. Science 300, 1265 (2003)) are explained using first-principles electronic structure calculations. The calculated moments for Nb(n) (n <= 15) closely follow the experimental data in which l…

Materials Science

Search For Hole Mediated Ferromagnetism In Cubic (Ga,Mn)N

M. Sawicki、T. Dietl、C. T. Foxon 等 9 位作者2004-10-21arXiv

Results of magnetisation measurements on p-type zincblende-(Ga,Mn)N are reported. In addition to a small high temperature ferromagnetic signal, we detect ferromagnetic correlation among the remaining Mn ions, which we assign to the onset of hole-mediated ferromagnetism in (Ga,Mn)N.

Materials Science

Novel magnetic behavior of single crystalline Er2PdSi3

K. K. Iyer、P. L. Paulose、E. V. Sampathkumaran 等 10 位作者2004-10-21arXiv

We report the results of ac and dc magnetic susceptibility (chi) and electrical resistivity (rho) measurements on the single crystals of Er2PdSi3, crystallizing in an AlB2-derived hexagonal structure, for two orientations H//[0001] and H//[2 -1 -1 0]. For H//[0001], there are apparently two magnetic transitions as rev…

Strongly Correlated ElectronsMaterials Science