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Towards reduced activation structural materials data for fusion DEMO reactors

A. Möslang、E. Diegele、M. Klimiankou 等 14 位作者2005-06-24Nuclear Fusion

The development of first wall, blanket and divertor materials that are capable of withstanding for many years high neutron and heat fluxes, is a critical path to fusion power. Therefore, the timely availability of a sound materials database has become an indispensable element in international fusion road maps. In orde…

Fusion materials and technologiesNuclear reactor physics and engineeringNuclear Materials and Properties

Fatty acid desaturases from the microalga Thalassiosira pseudonana

Thierry Tonon、Olga Sayanova、Louise V. Michaelson 等 9 位作者2005-06-24FEBS Journal

Analysis of a draft nuclear genome sequence of the diatom Thalassiosira pseudonana revealed the presence of 11 open reading frames showing significant similarity to functionally characterized fatty acid front-end desaturases. The corresponding genes occupy discrete chromosomal locations as determined by comparison wit…

Diatoms and Algae ResearchAlgal biology and biofuel productionGenomics and Phylogenetic Studies

Thermal Conversion of Guanylurea Dicyanamide into Graphitic Carbon Nitride via Prototype CNxPrecursors

Bettina V. Lotsch、Wolfgang Schnick2005-06-24Chemistry of Materials

Guanylurea dicyanamide, [(H 2 N)C( O)NHC(NH 2 ) 2 ][N(C⋮N) 2 ], has been synthesized by ion exchange reaction in aqueous solution and structurally characterized by single-crystal X-ray diffraction ( C 2/ c, a = 2249.0(5) pm, b = 483.9(1) pm, c = 1382.4(3) pm, β = 99.49(3)°, V = 1483.8(5) × 10 6 pm 3, T = 130 K). The t…

Energetic Materials and CombustionBoron and Carbon Nanomaterials ResearchAdvanced ceramic materials synthesis

On the abundance and general nature of the liquid–liquid phase transition in molecular systems

Rei Kurita、Hajime Tanaka2005-06-24Journal of Physics Condensed Matter

Even a single-component liquid may have more than two kinds of isotropic liquid states. The transition between these different states is called a liquid–liquid transition (LLT). An LLT has been considered to be a rather rare phenomenon, in particular for molecular liquids. Very recently, however, we found an LLT in tr…

Thermodynamic properties of mixturesMaterial Dynamics and PropertiesQuantum, superfluid, helium dynamics

Grain-size dependence of the relationship between intergranular and intragranular deformation of nanocrystalline Al by molecular dynamics simulations

T. Shimokawa、Akihiro NAKATANI、Hiroshi Kitagawa2005-06-24Physical Review B

The strength of nanocrystalline aluminum has been studied using molecular dynamics simulation. Nanocrystalline models consisting of hexagonal grains with grain size $d$ between 5 nm and 80 nm are deformed by the application of tension. A transition from grain-size hardening to grain-size softening can be observed in t…

Microstructure and mechanical propertiesAluminum Alloys Composites PropertiesBoron and Carbon Nanomaterials Research

Nucleophilic Substitution as a Tool for the Synthesis of Unsymmetrical Porphyrins

Mathias O. Senge2005-06-24Accounts of Chemical Research

Porphyrins readily undergo S(N)Ar reactions with organolithium reagents, preferentially at the meso-positions. The reaction is highly versatile as it is accomplished with both metal complexes and free-base porphyrins in good yields and high regioselectivity. It can be used in sequence for the introduction of up to fou…

Porphyrin and Phthalocyanine ChemistryPorphyrin Metabolism and DisordersMetal-Catalyzed Oxygenation Mechanisms

High-pressure cooling of protein crystals without cryoprotectants

Chae Un Kim、Raphael Kapfer、Sol M. Grüner2005-06-24Acta Crystallographica Section D Biological Crystallography

Flash-cooling of protein crystals is the best known method to effectively mitigate radiation damage in macromolecular crystallography. To prevent physical damage to crystals upon cooling, suitable cryoprotectants must usually be found, a process that is time-consuming and in some cases unsuccessful. A method is descri…

Enzyme Structure and FunctionInsect and Pesticide ResearchIon-surface interactions and analysis

Quantum States of Neutrons in Magnetic Thin Films

F. Radu、V. Leiner、M. Wolff 等 5 位作者2005-06-24arXiv

We have studied experimentally and theoretically the interaction of polarized neutrons with magnetic thin films and magnetic multilayers. In particular, we have analyzed the behavior of the critical edges for total external reflection in both cases. For a single film we have observed experimentally and theoretically a…

Materials Science

Self-Assembly of Co Nanoplatelets into Spheres: Synthesis and Characterization

Yanglong Hou、Hiroshi Kondoh、Toshiaki Ohta2005-06-24Chemistry of Materials

Uniform Co spherical assemblies were prepared via a facile hydrothermal reduction approach in the presence of surfactants with a yield of 98%. The assembled nanostructures were composed of ordered nanoplatelets with a thickness of ∼20 nm, as characterized by scanning electronic microscopy (SEM), transmission electroni…

Nanoporous metals and alloysMagnetic properties of thin filmsBlock Copolymer Self-Assembly

Combining Single Wall Carbon Nanotubes and Photoactive Polymers for Photoconversion

Gul Rahman、Dirk M. Guldi、Rita Cagnoli 等 7 位作者2005-06-24Journal of the American Chemical Society

A combination of van der Waals and electrostatic interactions was used to integrate SWNT and a suitably functionalized polythiophene into nanostructured ITO electrodes. In the resulting electron donor/acceptor nanocomposites, polythiophene represents the light-harvesting chromophore that readily donates an excited-sta…

TiO2 Photocatalysis and Solar CellsLuminescence and Fluorescent MaterialsTransition Metal Oxide Nanomaterials

Biodegradable shape‐memory polymer—polylactide‐co‐poly(glycolide‐co‐caprolactone) multiblock copolymer

Changchun Min、Wenjin Cui、Jianzhong Bei 等 4 位作者2005-06-24Polymers for Advanced Technologies

Abstract In this study, biodegradable shape‐memory polymers—polylactide‐co‐poly(glycolide‐co‐caprolactone) multiblock (PLAGC) copolymers—were synthesized by the coupling reaction of both macrodiols of polylactide (PLLA‐diol) and poly(glycolide‐co‐caprolactone) (PGC‐diol) in the presence of 1,6‐hexanediisocyanate as co…

Marine Sponges and Natural ProductsPolyoxometalates: Synthesis and ApplicationsPolymer composites and self-healing

On the Electronic Transport Mechanism in Conducting Polymer Nanofibers

Natalya A. Zimbovskaya、Alan T. Johnson, Jr.、Nicholas J. Pinto2005-06-24arXiv

Here, we present theoretical analysis of electron transport in polyaniline based (PANi) nanofibers assuming the metalic state of the material. To build up this theory we treat conducting polymers as a special kind of granular metals, and we apply the quantum theory of conduction in mesoscopic systems to describe the t…

Materials ScienceSoft Condensed Matter

Direct Observation of Condon Domains in Silver by Hall Probes

R. B. G. Kramer、V. S. Egorov、V. A. Gasparov 等 5 位作者2005-06-24arXiv

Using a set of micro Hall probes for the detection of the local induction, the inhomogeneous Condon domain structure has been directly observed at the surface of a pure silver single crystal under strong Landau quantization in magnetic fields up to 10 T. The inhomogeneous induction occurs in the theoretically predicte…

Materials Sciencecond-mat.other

Hysteresis in the de Haas-van Alphen Effect

R. B. G. Kramer、V. S. Egorov、A. G. M. Jansen 等 4 位作者2005-06-24arXiv

A hysteresis loop is observed for the first time in the de Haas-van Alphen (dHvA) effect of beryllium at low temperatures and quantizing magnetic field applied parallel to the hexagonal axis of the single crystal. The irreversible behavior of the magnetization occurs at the paramagnetic part of the dHvA period in cond…

Materials Sciencecond-mat.other

First-principle Wannier functions and effective lattice fermion models for narrow-band compounds

I. V. Solovyev2005-06-24arXiv

We propose a systematic procedure for constructing effective lattice fermion models for narrow-band compounds on the basis of first-principles electronic structure calculations. The method is illustrated for the series of transition-metal (TM) oxides: SrVO$_3$, YTiO$_3$, V$_2$O$_3$, and Y$_2$Mo$_2$O$_7$. It consists o…

Strongly Correlated ElectronsMaterials Science

Polarized resonant inelastic x-ray scattering as an ultra-fine probe of excited states in La2CuO4

A. Shukla、M. Calandra、M. Taguchi 等 6 位作者2005-06-24arXiv

X-ray absorption is the standard method to probe the unoccupied density of states at a given edge. Here we show that polarized Resonant Inelastic X-Ray Scattering in La2CuO4 at the Cu K-edge is extremely sensitive to the environment of the Cu atom and the fine structure in the Cu 4p density of states. Combined ab init…

Strongly Correlated ElectronsMaterials Science

Lattice-Boltzmmann simulations of the sedimentation of charged disks

Fabrizio Capuani、Ignacio Pagonabarraga、Daan Frenkel2005-06-24arXiv

We report a series of Lattice-Boltzmann simulations of the sedimentation velocity of charged disks. In these simulations, we explicitly account for the hydrodynamic and electrostatic forces on disks and on their electrical double layer. By comparing our results with those for spheres with equal surface and charge, we…

Materials ScienceSoft Condensed Matter

Shear and Compression Viscoelasticity in Polymer Monolayers

Toby A. M. Ferenczi、Pietro Cicuta2005-06-24arXiv

Poly-vinlyacetate (PVAc) forms very stable and reproducible monolayers on the surface of water, a model system to understand polymer physics on two dimensions. A recently introduced technique is applied here to to study viscoelasticity of PVAc monolayers. The method is based on measurement of surface tension in two or…

Materials ScienceSoft Condensed Matter

A robust bulk-solvent correction and anisotropic scaling procedure

Pavel V. Afonine、Ralf W. Grosse‐Kunstleve、Paul D. Adams2005-06-24Acta Crystallographica Section D Biological Crystallography

A reliable method for the determination of bulk-solvent model parameters and an overall anisotropic scale factor is of increasing importance as structure determination becomes more automated. Current protocols require the manual inspection of refinement results in order to detect errors in the calculation of these par…

Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function

Drinfeld Twists and Algebraic Bethe Ansatz of the Supersymmetric t-J Model

Wen-Li Yang、Yao-Zhong Zhang、Shao-You Zhao2005-06-24arXiv

We construct the Drinfeld twists (factorizing $F$-matrices) for the supersymmetric t-J model. Working in the basis provided by the $F$-matrix (i.e. the so-called $F$-basis), we obtain completely symmetric representations of the monodromy matrix and the pseudo-particle creation operators of the model. These enable us t…

Materials Sciencenlin.SIhep-thcond-mat.stat-mech