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Massively parallel Monte Carlo for many-particle simulations on GPUs

Joshua A. Anderson、Eric Jankowski、Thomas L. Grubb 等 5 位作者2013-08-23arXiv

Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little attention because of the inherent serial nature of the statistical sampling. In thi…

Soft Condensed MatterMaterials Sciencephysics.comp-phcond-mat.stat-mech

Defects in quasicrystals, revisited II- perfect and imperfect dislocations

Maurice Kleman2013-08-23arXiv

In this paper, the second part of a survey of the geometric properties of defects in quasicrystals studied from the Volterra viewpoint (see ref. [1]), we show that: 1$- $ a {\sf disvection line} L$_{||} \subset \mathrm E_{||}$ of Burgers vector $\textbf b =\textbf b_{||}+\textbf b_\bot $ splits naturally along L$_{||}…

Materials Science

Direct Observation of Interface and Nanoscale Compositional Modulation in Ternary III-As Heterostructure Nanowires

Sriram Venkatesan、Morten H. Madsen、Herbert Schmid 等 6 位作者2013-08-23arXiv

Straight, axial InAs nanowire with multiple segments of GaInAs were grown. High resolution X-ray energy-dispersive spectroscopy (EDS) mapping reveal the distribution of group III atoms at the axial interfaces and at the sidewalls. Significant Ga enrichment, accompanied by a structural change is observed at the GaInAs/…

Mesoscale and Nanoscale PhysicsMaterials Science

Theoretical and numerical study of lamellar eutectoid growth influenced by volume diffusion

Kumar Ankit、Abhik Choudhury、Cheng Qin 等 6 位作者2013-08-23arXiv

We investigate the lamellar growth of pearlite at the expense of austenite during the eutectoid transformation in steel. To begin with, we extend the Jackson-Hunt-type calculation (previously used to analyze eutectic transformation) to eutectoid transformation by accounting for diffusion in all the phases. Our princip…

Materials Science

Half-Semiconductor antiferromagnets and Spin-Gapless-Semiconductor antiferromagnets

Junjie He、P. Zhou、N. Jiao 等 6 位作者2013-08-23arXiv

We propose a concept of half-semiconductor antiferromagnets in which both spin-polarized valence and conduction bands belong to the same spin channel with completely compensated spontaneous magnetization. Using density functional theory plus Hubbard U (DFT+U) methods, we find a viable approach to achieve the half-semi…

Materials Science

Morphology and property control of NiO nanostructures for supercapacitor applications

Farrukh Iqbal Dar、Kevin R. Moonoosawmy、M. Es‐Souni2013-08-23Nanoscale Research Letters

We process one-dimensional (1D) NiO nanostructures in anodized alumina templates starting from electrochemically deposited Ni nanotubes (NTs), and characterize their morphology-dependent supercapacitance behavior. The morphology of the 1D NiO nanostructures is controlled by the time of annealing at 450°C. After 25 min…

Supercapacitor Materials and FabricationNanoporous metals and alloysElectrocatalysts for Energy Conversion

Single-mode tunable laser emission in the single-exciton regime from colloidal nanocrystals

Christos Grivas、Chunyong Li、P. Andreakou 等 8 位作者2013-08-23Nature Communications

Whispering-gallery-mode resonators have been extensively used in conjunction with different materials for the development of a variety of photonic devices. Among the latter, hybrid structures, consisting of dielectric microspheres and colloidal core/shell semiconductor nanocrystals as gain media, have attracted intere…

Photonic and Optical DevicesPhotonic Crystals and ApplicationsQuantum Dots Synthesis And Properties

Multifunctional CNT‐Polymer Composites for Ultra‐Tough Structural Supercapacitors and Desalination Devices

Jim Benson、Igor Kovalenko、Sofiane Boukhalfa 等 6 位作者2013-08-23Advanced Materials

Pulsed electrodeposition of polyaniline (PANI) allows the fabrication of flexible, electrically conductive, nonwoven PANI-carbon nanotube (PANI-CNT) composite fabrics. They possess specific tensile strength and a modulus of toughness higher than that of aluminum matrix composites, titanium and aluminum alloys, steels,…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationConducting polymers and applications

Topotactic Interconversion of Nanoparticle Superlattices

Robert J. Macfarlane、Matthew R. Jones、Byeongdu Lee 等 5 位作者2013-08-23Science

The directed assembly of nanoparticle building blocks is a promising method for generating sophisticated three-dimensional materials by design. In this work, we have used DNA linkers to synthesize nanoparticle superlattices that have greater complexity than simple binary systems using the process of topotactic interca…

Gold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniques

Extending spin coherence times of diamond qubits by high-temperature annealing

Takashi Yamamoto、T. Umeda、Kenji Watanabe 等 17 位作者2013-08-23Physical Review B

Spins of negatively charged nitrogen-vacancy (NV${}^{\ensuremath{-}}$) defects in diamond are among the most promising candidates for solid-state qubits. The fabrication of quantum devices containing these spin-carrying defects requires position-controlled introduction of NV${}^{\ensuremath{-}}$ defects having excelle…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchSemiconductor materials and devices

Fabrication of Luminescent Monolayered Tungsten Dichalcogenides Quantum Dots with Giant Spin-Valley Coupling

Liangxu Lin、Yaoxian Xu、Shaowei Zhang 等 6 位作者2013-08-23ACS Nano

A high yield (>36 wt %) method has been developed of preparing monolayered tungsten dichalcogenide (WS2) quantum dots (QDs) with lateral size ∼8-15 nm from multilayered WS2 flakes. The monolayered WS2 QDs are, like monolayered WS2 sheets, direct semiconductors despite the flake precursors being an indirect semiconduct…

MXene and MAX Phase MaterialsQuantum Dots Synthesis And Properties2D Materials and Applications

Upconversion‐Nanophosphor‐Based Functional Nanocomposites

Wei Feng、Chunmiao Han、Fuyou Li2013-08-23Advanced Materials

Upconversion nanophosphors have the ability to generate visible or near-infrared (NIR) emissions under continuous-wave NIR excitation. Utilizing this special photoluminescent properties, upconversion nanophosphors can be used as key components in complex nanocomposites for a wide range of applications. This review sum…

Nanoplatforms for cancer theranosticsLuminescence and Fluorescent MaterialsLuminescence Properties of Advanced Materials

Molecular Doping of Multilayer ${\rm MoS}_{2}$ Field-Effect Transistors: Reduction in Sheet and Contact Resistances

Yuchen Du、Han Liu、Adam T. Neal 等 5 位作者2013-08-23IEEE Electron Device Letters

For the first time, polyethyleneimine (PEI) doping on multilayer MoS2field-effect transistors is investigated. A 2.6 times reduction in sheet resistance and 1.2 times reduction in contact resistance have been achieved. The enhanced electrical characteristics are also reflected in a 70% improvement in ON-current and 50…

Graphene research and applicationsNanowire Synthesis and Applications2D Materials and Applications

Top-Down versus Bottom-Up Fabrication of Graphene-Based Electronics

James M. Tour2013-08-23Chemistry of Materials

Graphene electronic devices can be made by top-down (TD) or bottom-up (BU) approaches. This Perspective defines and explains those two approaches and discusses the advantages and limitations of each, particularly in the context of graphene fabrication. It is further exemplified using graphene nanoribbons as the protot…

Molecular Junctions and NanostructuresGraphene research and applicationsQuantum and electron transport phenomena

Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes

Rebecca C. Poulten、Michael J. Page、Andrés G. Algarra 等 12 位作者2013-08-23Journal of the American Chemical Society

The two-coordinate cationic Ni(I) bis-N-heterocyclic carbene complex [Ni(6-Mes)2]Br (1) [6-Mes =1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene] has been structurally characterized and displays a highly linear geometry with a C-Ni-C angle of 179.27(13)°. Density functional theory calculations reve…

N-Heterocyclic Carbenes in Organic and Inorganic ChemistryMagnetism in coordination complexesOrganometallic Complex Synthesis and Catalysis

Electronic structures and optical properties of realistic transition metal dichalcogenide heterostructures from first principles

Hannu‐Pekka Komsa、Arkady V. Krasheninnikov2013-08-23arXiv

We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS${}_{2}$ layers sandwiched with WS${}_{2}$, MoSe${}_{2}$, MoTe${}_{2}$, BN, or graphene sheets. Contrary to previous works, the systems are c…

MXene and MAX Phase Materials2D Materials and ApplicationsGraphene research and applications

Photodegradation and photostabilization of polymers, especially polystyrene: review

Emad͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏ Yousif、Raghad Haddad2013-08-23OpenAlex

Exposure to ultraviolet (UV) radiation may cause the significant degradation of many materials. UV radiation causes photooxidative degradation which results in breaking of the polymer chains, produces free radical and reduces the molecular weight, causing deterioration of mechanical properties and leading to useless m…

Microplastics and Plastic PollutionPolymer Science and PVCPolymer crystallization and properties

An emended description of the genusFogedia(Bacillariophyceae) with reports of four species new to science from a Korean sand flat

Jinsoon Park、Jong Seong Khim、Jongseong Ryu 等 5 位作者2013-08-22Phycologia

Park J., Khim J.S., Ryu J., Koh C.-H. and Witkowski A. 2013. An emended description of the genus Fogedia (Bacillariophyceae) with reports of four species new to science from a Korean sand flat. Phycologia 52: 437–446. DOI: 10.2216/12–120.1A taxonomic investigation of the microphytobenthos from the lower intertidal zon…

Protist diversity and phylogenyDiatoms and Algae ResearchMarine and coastal ecosystems

Modelling Bending Behaviour in Cloth Simulation Using Hysteresis

Tsun Holt Wong、Geoff Leach、Fabio Zambetta2013-08-22Computer Graphics Forum

Abstract Real cloth exhibits bending effects, such as residual curvatures and permanent wrinkles. These are typically explained by bending plastic deformation due to internal friction in the fibre and yarn structure. Internal friction also gives rise to energy dissipation which significantly affects cloth dynamic beha…

Computer Graphics and Visualization TechniquesTextile materials and evaluations3D Shape Modeling and Analysis

Near-field distribution and propagation of scattering resonances in Vogel spiral arrays of dielectric nanopillars

Francesca Intonti、Niccolò Caselli、Nate Lawrence 等 6 位作者2013-08-22New Journal of Physics

In this work, we employ scanning near-field optical microscopy, full-vector finite difference time domain numerical simulations and fractional Fourier transformation to investigate the near-field and propagation behavior of the electromagnetic energy scattered at 1.56 μ m by dielectric arrays of silicon nitride nanopi…

Plasmonic and Surface Plasmon ResearchNear-Field Optical MicroscopyMetamaterials and Metasurfaces Applications