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Nonequilibrium molecular dynamics simulation of the in-plane thermal conductivity of superlattices with rough interfaces

Konstantinos Termentzidis、Patrice Chantrenne、Pawel Keblinski2009-06-30Physical Review B

We report nonequilibrium molecular dynamics study of heat transfer in binary Lennard-Jones superlattices. The influence of the characteristic height of the interface roughness and the superlattice period on the in-plane thermal conductivity is reported. We observe that in-plane thermal conductivity first decreases wit…

Heat Transfer and OptimizationThermal properties of materialsThermal Radiation and Cooling Technologies

A systematic SPR study of human plasma protein adsorption behavior on the controlled surface packing of self‐assembled poly(ethylene oxide) triblock copolymer surfaces

Yung Chang、Wan‐Ling Chu、Wen‐Yih Chen 等 7 位作者2009-06-30Journal of Biomedical Materials Research Part A

A well-controlled biocompatible nonfouling surface is significant for biomedical requirements, especially for the improvement of biocompatibility. We demonstrate the low or nonbiofouling surfaces by coating hydrophobic-hydrophilic triblock copolymers of poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsPolymer Surface Interaction Studies

Autoionizing Resonances in Time-Dependent Density Functional Theory

August J. Krueger、Neepa T. Maitra2009-06-30arXiv

Autoionizing resonances that arise from the interaction of a bound single-excitation with the continuum can be accurately captured with the presently used approximations in time-dependent density functional theory (TDDFT), but those arising from a bound double excitation cannot. In the former case, we explain how an a…

Materials Science

Electric field effects, Mott insulator, Surface patterning, Scanning tunneling microscopy, Transition metal chalcogenides

Vincent Dubost、T. Cren、C. Vaju 等 8 位作者2009-06-30arXiv

We report the first experimental evidence for a strong electromechanical coupling in the Mott insulator GaTa4Se8 allowing a highly reproducible nano-writing with a Scanning Tunneling Microscope (STM). The local electric field across the STM junction is observed to have a threshold value above which the clean (100) sur…

Materials Science

Theory of the neutral nitrogen-vacancy center in diamond and its application to the realization of a qubit

Ádám Gali2009-06-30Physical Review B

The negatively charged nitrogen-vacancy defect $({\text{NV}}^{\ensuremath{-}})$ in diamond has attracted much attention in recent years in qubit and biological applications. The negative charge is donated from nearby nitrogen donors that could limit or stem the successful application of ${\text{NV}}^{\ensuremath{-}}$.…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchElectronic and Structural Properties of Oxides

Electrospun polyurethane scaffolds for proliferation and neuronal differentiation of human embryonic stem cells

Björn Carlberg、Mathilda Zetterström Axell、Ulf Nannmark 等 5 位作者2009-06-30Biomedical Materials

Adult central nervous system (CNS) tissue has a limited capacity to recover after trauma or disease. Hence, tissue engineering scaffolds intended for CNS repair and rehabilitation have been subject to intense research effort. Electrospun porous scaffolds, mimicking the natural three-dimensional environment of the in v…

Nerve injury and regenerationElectrospun Nanofibers in Biomedical ApplicationsTissue Engineering and Regenerative Medicine

Characterization of nanoparticles by scanning electron microscopy in transmission mode

Egbert Buhr、N Senftleben、Tobias Klein 等 7 位作者2009-06-30Measurement Science and Technology

A conventional scanning electron microscope operated in transmission mode (TSEM) was used for imaging silica, gold and latex nanoparticles. Particles were applied to conventional transmission electron microscope (TEM) grids with different supporting films. A semiconductor detector capable of accomplishing both bright-…

Advanced Electron Microscopy Techniques and ApplicationsElectron and X-Ray Spectroscopy TechniquesSurface and Thin Film Phenomena

Quantum Fluids in Nanotubes: a Quantum Monte Carlo Approach

M. C. Gordillo、J. Boronat2009-06-30arXiv

We review quantum Monte Carlo results on energetic and structure properties of quantum fluids adsorbed in a bundle of carbon nanotubes. Using realistic interatomic interactions the different adsorption sites that a bundle offer are accurately studied and compared in some cases with strictly one-dimensional geometries.…

Materials Science

Lattice dynamics in magnetic superelastic Ni-Mn-In alloys: Neutron scattering and ultrasonic experiments

Xavier Moya、David González‐Alonso、Lluı́s Mañosa 等 10 位作者2009-06-30Physical Review B

Neutron scattering and ultrasonic methods have been used to study the lattice dynamics of two single crystals of Ni-Mn-In Heusler alloys close to ${\text{Ni}}_{50}{\text{Mn}}_{34}{\text{In}}_{16}$ magnetic superelastic composition. The paper reports on the experimental determination of the low-lying phonon-dispersion…

Shape Memory Alloy TransformationsHeusler alloys: electronic and magnetic propertiesElasticity and Wave Propagation

Photoinduced magnetism in the ferromagnetic semiconductors

Subodha Mishra、Sashi Satpathy2009-06-30arXiv

We study the enhancement of the magnetic transition temperature $T_c$ due to incident light in ferromagnetic semiconductors such as EuS. The photoexcited carriers mediate an extra ferromagnetic interaction due to the coupling with the localized magnetic moments. The Hamiltonian consists of a Heisenberg model for the l…

Materials Science

Valence force model for phonons in graphene and carbon nanotubes

Vasili Perebeinos、J. Tersoff2009-06-30Physical Review B

Many calculations require a simple classical model for the interactions between $s{p}^{2}$-bonded carbon atoms, as in graphene or carbon nanotubes. Here we present a valence force model to describe these interactions. The calculated phonon spectrum of graphene and the nanotube breathing-mode energy agree well with exp…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

Simple Synthesis of Graphitic Ordered Mesoporous Carbon Materials by a Solid‐State Method Using Metal Phthalocyanines

Kyu Tae Lee、Xiulei Ji、Mathieu Rault 等 4 位作者2009-06-30Angewandte Chemie International Edition

Law and order: When metal phthalocyanines are used as the carbon precursor, pseudo-solid-state in situ chemical vapor deposition on mesoporous silica yields highly graphitic mesoporous carbon materials (see TEM image) with ordered pore structure, high surface area, and high pore volume. This simple synthetic route is…

Electrocatalysts for Energy ConversionSupercapacitor Materials and FabricationMesoporous Materials and Catalysis

Cooperative Acid–Base Effects with Functionalized Mesoporous Silica Nanoparticles: Applications in Carbon–Carbon Bond‐Formation Reactions

Sankaranarayanapillai Shylesh、Alex H. Wagner、Andreas Seifert 等 5 位作者2009-06-30Chemistry - A European Journal

Acid-base bifunctional mesoporous silica nanoparticles (MSN) were prepared by a one-step synthesis by co-condensation of tetraethoxysilane (TEOS) and silanes possessing amino and/or sulfonic acid groups. Both the functionality and morphology of the particles can be controlled. The grafted functional groups were charac…

Catalytic Cross-Coupling ReactionsMesoporous Materials and CatalysisCovalent Organic Framework Applications

Prediction of a Switchable Two-Dimensional Electron Gas at Ferroelectric Oxide Interfaces

Manish K. Niranjan、Yong Wang、S. S. Jaswal 等 4 位作者2009-06-30Physical Review Letters

The demonstration of a quasi-two-dimensional electron gas (2DEG) in LaAlO3/SrTiO3 heterostructures has stimulated intense research activity in recent years. The 2DEG has unique properties that are promising for applications in all-oxide electronic devices. For such applications it is desirable to have the ability to c…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Effect of chemical substitution on the Néel temperature of multiferroic Bi 1 − x Ca x FeO 3

Gustau Catalán、Kripasindhu Sardar、Nathan Church 等 6 位作者2009-06-30Physical Review B

Multiferroic ${\text{BiFeO}}_{3}$ ceramics have been doped with Ca and it is found that the magnetic Neel temperature $({T}_{\text{N\'eel}})$ increases as Ca concentration increases, at a rate of 0.66 K per 1% Ca (molar). The smaller ionic size of Ca compared with Bi results in a contraction of the lattice, suggesting…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsUnderwater Acoustics Research

Laser induced magnetization switching in films with perpendicular anisotropy: a comparison between measurements and a multi-macrospin model

C. Bunce、J. Wu、G. Ju 等 8 位作者2009-06-30arXiv

Thermally-assisted ultra-fast magnetization reversal in a DC magnetic field for magnetic multilayer thin films with perpendicular anisotropy has been investigated in the time domain using femtosecond laser heating. The experiment is set-up as an optically pumped stroboscopic Time Resolved Magneto-Optical Kerr Effect m…

Materials Sciencecond-mat.other

Propagation and scattering of TE surface plasmon polaritons on interface between two dielectrics

T. Vary、P. Markos2009-06-30arXiv

We study the TE polarized electromagnetic surface wave propagating along the interface between materials with positive and negative magnetic permeability. Contrary to the TM polarized surface wave, the TE surface wave exhibits almost no radiation losses when scattered at semi-infinite dielectric interfaces.

Mesoscale and Nanoscale PhysicsMaterials Science

Information Processing with Pure Spin Currents in Silicon: Spin Injection, Extraction, Manipulation and Detection

Olaf M. J. van "t Erve、Chaffra Awo-Affouda、Aubrey T. Hanbicki 等 6 位作者2009-06-30arXiv

We demonstrate that information can be transmitted and processed with pure spin currents in silicon. Fe/Al2O3 tunnel barrier contacts are used to produce significant electron spin polarization in the silicon, generating a spin current which flows outside of the charge current path. The spin orientation of this pure sp…

Materials Sciencecond-mat.other

Interface States in Carbon Nanotube Junctions: Rolling up graphene

H. Santos、A. Ayuela、W. Jaskólski 等 5 位作者2009-06-30arXiv

We study the origin of interface states in carbon nanotube intramolecular junctions between achiral tubes. By applying the Born-von Karman boundary condition to an interface between armchair- and zigzag-terminated graphene layers, we are able to explain their number and energies. We show that these interface states, c…

Mesoscale and Nanoscale PhysicsMaterials Science

Basal and prism dislocation cores in magnesium: comparison of first-principles and embedded-atom-potential methods predictions

Joseph A. Yasi、T. Nogaret、Dallas R. Trinkle 等 6 位作者2009-06-30Modelling and Simulation in Materials Science and Engineering

The core structures of screw and edge dislocations on the basal and prism planes in Mg, and the associated gamma surfaces, were studied using an ab initio method and the embedded-atom-method interatomic potentials developed by Sun et al and Liu et al . The ab initio calculations predict that the basal plane dislocatio…

Microstructure and mechanical propertiesMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites Properties