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A molecular dynamics simulation of the melting points and glass transition temperatures of myo- and neo-inositol

S.W. Watt、James A. Chisholm、William Jones 等 4 位作者2004-11-04The Journal of Chemical Physics

The heat of sublimation, density, melting point, and glass transition temperature are calculated for myo- and neo-inositol, using the condensed-phase optimized molecular potentials for atomistic simulation studies (COMPASS) force field and molecular dynamics techniques. Our results show that the calculated heats of su…

Theoretical and Computational PhysicsMaterial Dynamics and PropertiesAdvanced Mathematical Theories and Applications

The fabrication of La(OH)3 nanospheres by a controllable-hydrothermal method with citric acid as a protective agent

Bo Tang、Jiechao Ge、Linhai Zhuo2004-11-04Nanotechnology

La(OH)3 nanospheres have been synthesized with La(NO3)3 and KOH as the starting materials and citric acid as a protective agent through a facile controllable hydrothermal method. The obtained products were analysed with x-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (S…

Luminescence Properties of Advanced MaterialsRadioactive element chemistry and processingExtraction and Separation Processes

Reverse Saturable Absorption in the Near‐Infrared by Fused Porphyrin Dimers

K. J. McEwan、Paul A. Fleitz、Joy E. Rogers 等 9 位作者2004-11-04Advanced Materials

Bromine and iodine substituents increase the yield of triplet excited states in a triply linked fused porphyrin dimer (see Figure), resulting in efficient reverse saturable absorption in the near-infrared range at 600–970 nm on the nanosecond timescale.

Nonlinear Optical Materials StudiesPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials

An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: Applications to localized occupied orbitals

Joseph E. Subotnik、Yihan Shao、WanZhen Liang 等 4 位作者2004-11-04The Journal of Chemical Physics

We present here three new algorithms (one purely iterative and two DIIS-like [Direct Inversion in the Iteractive Subspace]) to compute maxima of homogeneous functions of orthogonal matrices. These algorithms revolve around the mathematical lemma that, given an invertible matrix A, the function f(U)=Tr(AU) has exactly…

Lanthanide and Transition Metal ComplexesFree Radicals and AntioxidantsChemical Thermodynamics and Molecular Structure

Ultrafast excited-state dynamics in photochromic N-salicylideneaniline studied by femtosecond time-resolved REMPI spectroscopy

Chie Okabe、Takakazu Nakabayashi、Yoshiya Inokuchi 等 5 位作者2004-11-04The Journal of Chemical Physics

Ultrafast processes in photoexcited N-salicylideneaniline have been investigated with femtosecond time-resolved resonance-enhanced multiphoton ionization spectroscopy. The ion signals via the S(1)(n,pi( *)) state of the enol form as well as the proton-transferred cis-keto form emerge within a few hundred femtoseconds…

Photochromic and Fluorescence ChemistryPhotoreceptor and optogenetics researchPhotochemistry and Electron Transfer Studies

Identifying Defects in Nanoscale Materials

Masa Ishigami、Hyoung Joon Choi、Shaul Aloni 等 6 位作者2004-11-04Physical Review Letters

We have developed a novel iterative experimental-theoretical technique which can identify the atomic structure of defects in many-atom nanoscale materials from scanning tunneling microscopy and spectroscopy data. A given model for a defect structure is iteratively improved until calculated microscopy and spectroscopy…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsGraphene research and applications

Studies on the Homogeneous Acetylation of Cellulose in the Novel Solvent Dimethyl Sulfoxide/Tetrabutylammonium Fluoride Trihydrate

Beatriz Aparecida Pereira Ass、Elisabete Frollini、Thomas Heinze2004-11-04Macromolecular Bioscience

The novel solvent dimethyl sulfoxide (DMSO)/tetrabutylammonium fluoride trihydrate (TBAF . 3H(2)O) was studied for acetylation of linters cellulose. In order to control the degree of substitution (DS), acetylation of the macromolecule was carried out at different reaction time and temperature, molar ratio of reactants…

Advanced Cellulose Research StudiesCarbohydrate Chemistry and Synthesis

Control of the ferroelectric properties ofDyMn2O5by magnetic fields

D. Higashiyama、S. Miyasaka、N. Kida 等 5 位作者2004-11-04Physical Review B

Coupling between magnetic and dielectric properties has been attracting renewed interest because of the fundamental as well as technological importance of controlling the electric (magnetic) polarization by an external magnetic (electric) field. Here, we report the phenomenon that an external magnetic field induces an…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsFerroelectric and Piezoelectric Materials

Controlling Degradation of Hydrogels via the Size of Crosslinked Junctions

Hong Jin Kong、Eben Alsberg、Darnell Kaigler 等 5 位作者2004-11-04Advanced Materials

The degradation rates of hydrogels are shown to be regulated by the modulation of the dissociation rates of the polymer chains via a size mismatch in the crosslinking zones. This method (used to control degradation) can be exploited in order to engineer cartilage tissue in vivo (see Figure).

Tissue Engineering and Regenerative MedicineHydrogels: synthesis, properties, applicationsElectrospun Nanofibers in Biomedical Applications

Composition-Controlled Synthesis of Bimetallic Gold−Silver Nanoparticles

Nancy N. Kariuki、Jin Luo、Mathew M. Maye 等 10 位作者2004-11-04Langmuir

This paper reports findings of an investigation of the synthesis of monolayer-capped binary gold-silver (AuAg) bimetallic nanoparticles that is aimed at understanding the control factors governing the formation of the bimetallic compositions. The synthesis of alkanethiolate-capped AuAg nanoparticles was carried out us…

Nanocluster Synthesis and ApplicationsGold and Silver Nanoparticles Synthesis and ApplicationsNanomaterials for catalytic reactions

Large-Scale Synthesis of Single-Crystalline Quasi-Aligned Submicrometer CuO Ribbons

Hongwei Hou、Yi Xie、Qing Li2004-11-04Crystal Growth & Design

A new strategy of scrolling a lamellar precursor was designed to form a ribbonlike structure. In a simple chemical route involving an oxidation−dehydration process, single-crystalline quasi-aligned submicrometer CuO ribbons were synthesized on a copper surface. Electron microscopic studies indicate that these ribbons…

ZnO doping and propertiesElectronic and Structural Properties of OxidesCopper-based nanomaterials and applications

Adhesion of Bacterial Exopolymers to α-FeOOH: Inner-Sphere Complexation of Phosphodiester Groups

Anselm Omoike、Jon Chorover、Kideok D. Kwon 等 4 位作者2004-11-04Langmuir

Extracellular polymeric substances (EPS) constitute a heterogeneous mixture of polyelectrolytes that mediate biomineralization and bacterial adhesion and stabilize biofilm matrixes in natural and artificial environments. Although nucleic acids are exuded extracellularly and are purported to be required for biofilm for…

Bacterial biofilms and quorum sensingPolymer Surface Interaction StudiesMicrobial Fuel Cells and Bioremediation

Synthesis of a Dendritic Core–Shell Nanostructure with a Temperature‐Sensitive Shell

Ye‐Zi You、C.‐Y. Hong、Chuen Y. Pan 等 4 位作者2004-11-04Advanced Materials

Temperature-sensitive core–shell nanostructures are synthesized by functionalizing a hydroxyl-terminated dendrimer with a reversible addition-fragmentation chain transfer (RAFT) polymerization chain-transfer agent. RAFT polymerization of N-isopropylacrylamide produces a shell around the dendrimer (see Figure). In aque…

Dendrimers and Hyperbranched PolymersAdvanced Polymer Synthesis and CharacterizationPolymer Surface Interaction Studies

Localised magnetic excitations of coupled impurities in a transverse Ising ferromagnet

R. V. Leite、J. Milton Pereira Jr.、R. N. Costa Filho2004-11-04arXiv

A Green's function formalism is used to calculate the spectrum of excitations of two neighboring impurities implanted in a semi-infinite ferromagnetic. The equations of motion for the Green's functions are determined in the framework of the Ising model in a transverse field and results are given for the effect of the…

Materials ScienceMesoscale and Nanoscale Physics

Frequency Modulation of Spin-Transfer Oscillators

M. R. Pufall、W. H. Rippard、S. Kaka 等 5 位作者2004-11-04arXiv

Spin-polarized dc electric current flowing into a magnetic layer can induce precession of the magnetization at a frequency that depends on current. We show that addition of an ac current to this dc bias current results in a frequency modulated (FM) spectral output, generating sidebands spaced at the modulation frequen…

Materials Sciencecond-mat.other

Time-dependent density-functional theory approach to nonlinear particle-solid interactions in comparison with scattering theory

V. U. Nazarov、J. M. Pitarke、C. S. Kim 等 4 位作者2004-11-04arXiv

An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of noninteracting Kohn-Sham electrons and functional derivatives of the time-depende…

Materials Science

Structure and Orientation of the Moving Vortex Lattice in Clean Type II Superconductors

Dingping Li、Andrey M. Malkin、Baruch Rosenstein2004-11-04arXiv

The dynamics of moving vortex lattice is considered in the framework of the time dependent Ginzburg - Landau equation neglecting effects of pinning. At high flux velocities the pinning dominated dynamics is expected to cross over into the interactions dominated dynamics for very clean materials recently studied experi…

SuperconductivityMaterials Science

Electron transport, penetration depth and upper critical magnetic field of ZrB12 and MgB2

V. A. Gasparov、N. S. Sidorov、I. I. Zver'kova 等 5 位作者2004-11-04arXiv

We report on the synthesis and measurements of the temperature dependence of resistivity, R(T), the penetration depth, l(T), and upper critical magnetic field, Hc2(T), for polycrystalline samples of dodecaboride ZrB12 and diboride MgB2. We conclude that ZrB12 as well as MgB2 behave like simple metals in the normal sta…

Materials ScienceSuperconductivity

Arrays of widely spaced atomic steps on Si(111) mesas due to sublimation

Kee-Chul Chang、Jack M. Blakely2004-11-04arXiv

Steps with spacings of microns form on top of mesas fabricated on Si(111) that is annealed at temperatures where sublimation becomes important. Upon annealing, mesas first develop ridges along their edges, effectively creating craters which then become step-free by a step flow process described in the literature. Due…

Materials Science