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Robust non-adiabatic molecular dynamics for metals and insulators

L. Stella、M. Meister、A. J. Fisher 等 4 位作者2007-10-23arXiv

We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can simulate models of non-adiabatic electronic transitions, and test it against exac…

Materials Science

Fermi-liquid and Fermi surface geometry effects in propagation of low frequency electromagnetic waves through thin metal films

Natalya A. Zimbovskaya2007-10-23arXiv

In the present work we theoretically analyze the contribution from a transverse Fermi-liquid collective mode to the transmission of electromagnetic waves through a thin film of a clean metal in the presence of a strong external magnetic field. We show that at the appropriate Fermi surface geometry the transverse Fermi…

Materials ScienceStrongly Correlated Electrons

Structural relaxation around substitutional Cr3+ in pyrope garnet

Amélie Juhin、Georges Calas、Delphine Cabaret 等 5 位作者2007-10-23arXiv

The structural environment of substitutional Cr3+ ion in a natural pyrope Mg3Al2Si3O12 has been investigated by Cr K-edge Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES) coupled with first-principles computations. The Cr-O distance is close to that in knorringite Mg3Cr…

Materials Science

Silicon in the Quantum Limit: Quantum Computing and Decoherence in Silicon Architectures

Charles Tahan2007-10-23arXiv

Semiconductor architectures hold promise for quantum information processing (QIP) applications due to their large industrial base and perceived scalability potential. Electron spins in silicon in particular may be an excellent architecture for QIP and also for spin electronics (spintronics) applications. While the cha…

Mesoscale and Nanoscale PhysicsMaterials Science

The Effects of Sericin Cream on Wound Healing in Rats

Pornanong Aramwit、Areeporn Sangcakul2007-10-23Bioscience Biotechnology and Biochemistry

Sericin has good hydrophilic properties, compatibility, and biodegradation, it can be used as a wound-healing agent. We evaluated the effects of sericin on wound healing and wound size reduction using rats by generating two full-thickness skin wounds on the dorsum. Group 1 animals were treated with Betadine on left-si…

Wound Healing and TreatmentsBee Products Chemical AnalysisSilk-based biomaterials and applications

Enhancing the Stability and Biological Functionalities of Quantum Dots via Compact Multifunctional Ligands

Kimihiro Susumu、H. Tetsuo Uyeda、Igor L. Medintz 等 6 位作者2007-10-23OpenAlex

We have designed and synthesized a series of modular ligands based on poly(ethylene glycol) (PEG) coupled with functional terminal groups to promote water-solubility and biocompatibility of quantum dots (QDs). Each ligand is comprised of three modules: a PEG single chain to promote hydrophilicity, a dihydrolipoic acid…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Chemical sensing and imaging with metallic nanorods

Catherine J. Murphy、Anand Gole、Simona E. Hunyadi Murph 等 8 位作者2007-10-23OpenAlex

In this Feature Article, we examine recent advances in chemical analyte detection and optical imaging applications using gold and silver nanoparticles, with a primary focus on our own work. Noble metal nanoparticles have exciting physical and chemical properties that are entirely different from the bulk. For chemical…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesBiosensors and Analytical Detection

Magnetism in Graphene Nanoislands

J. Fernández‐Rossier、J. J. Palacios2007-10-23OpenAlex

We study the magnetic properties of nanometer-sized graphene structures with triangular and hexagonal shapes terminated by zigzag edges. We discuss how the shape of the island, the imbalance in the number of atoms belonging to the two graphene sublattices, the existence of zero-energy states, and the total and local m…

Graphene research and applicationsQuantum and electron transport phenomenaTopological Materials and Phenomena

Thermal monitoring of morphology in triblock terpolymers with crystallizable blocks

Adriana Boschetti‐de‐Fierro、Daniel Fierro、Julio Albuerne 等 5 位作者2007-10-22Journal of Polymer Science Part B Polymer Physics

Abstract The bulk morphology of poly(1,4‐butadiene)– block –polystyrene– block –poly (ethylene oxide) (PB‐ b ‐PS‐ b ‐PEO) and polyethylene– block –polystyrene– block –poly (ethylene oxide) (PE‐ b ‐PS‐ b ‐PEO) triblock terpolymers is analyzed under a thermal protocol. This allows the investigation of the morphology dur…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesBlock Copolymer Self-Assembly

Self‐decelerated crystallization in poly(butylene terephthalate)/poly(ε‐caprolactone) blends

Maria Laura Di Lorenzo、Maria Cristina Righetti2007-10-22Journal of Polymer Science Part B Polymer Physics

Abstract Isothermal crystallization of poly(butylene terephthalate) (PBT) blended with oligomeric poly(ε‐caprolactone) (PCL) is investigated by polarized optical microscopy and differential scanning calorimetry at various temperatures ( T c ). The growth rate of PBT spherulites is found to depend on time ( t ), as the…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMicroplastics and Plastic Pollution

Bulk polymerization of p‐dioxanone using a cyclic tin alkoxide as initiator

Therese Redin、Anna Finne‐Wistrand、Torbjörn Mathisen 等 4 位作者2007-10-22Journal of Polymer Science Part A Polymer Chemistry

Abstract Poly( p ‐dioxanone) with an inherent viscosity of over 1 dL/g has been synthesized using the cyclic tin alkoxide 1‐di‐ n ‐butyl‐1‐stanna‐2,5‐dioxacyclopentane as initiator. Poly( p ‐dioxanone) was synthesized in bulk and the results have been compared with polymerizations using tin (II) 2‐ethylhexanoate (Sn(O…

Organometallic Complex Synthesis and Catalysisbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

A high repetition rate time-of-flight electron energy analyzer

Shawn A. Hilbert、Brett Barwick、Maya Fabrikant 等 5 位作者2007-10-22Applied Physics Letters

We demonstrate a time-of-flight electron energy analyzer that operates at an 80MHz repetition rate. The analyzer yields an energy resolution of 40meV for 3eV electrons. The energy resolution limit is dominated by the detector time (or temporal) resolution. With a currently available detector with a temporal resolution…

Atomic and Subatomic Physics ResearchElectron and X-Ray Spectroscopy TechniquesPhotocathodes and Microchannel Plates

One‐shot synthesis of high molar mass polyurethane in supercritical carbon dioxide

Benjamin Renault、Thierry Tassaing、Éric Cloutet 等 4 位作者2007-10-22Journal of Polymer Science Part A Polymer Chemistry

Abstract Well‐defined polyurethane–polydimethylsiloxane particles of tunable diameter in the range of 0.5–20 μm were synthesized in “one‐shot” by step‐growth polymerization using supercritical carbon dioxide (scCO 2 ) as a dispersant medium. Polymerizations were carried out at 60 °C and above 25 MPa, after the solubil…

biodegradable polymer synthesis and propertiesPolymer composites and self-healingCarbon dioxide utilization in catalysis

Synthesis and characterization of novel poly(amide urea)s, materials with outstanding mechanical properties

Noelia San‐José、Ana Gómez‐Valdemoro、Félix C. García 等 6 位作者2007-10-22Journal of Polymer Science Part A Polymer Chemistry

Abstract Four novel A‐B condensation monomers containing an amine and a carboxylic acid function are described, along with their polymerization to give main chain aromatic poly(amide urea)s. The monomers, and the polymer structural unit, are N , N ′‐diphenylurea derivatives. When comparing wholly aromatic polyamides,…

biodegradable polymer synthesis and propertiesOrganoboron and organosilicon chemistrySynthesis and properties of polymers

Phase transition in bottom-up BaTiO3 films on Si

Kazumi Kato、Kiyotaka Tanaka、Kazuyuki Suzuki 等 4 位作者2007-10-22Applied Physics Letters

The phase transition was electrically investigated in (100)-oriented BaTiO3 thin and thick films deposited on Si substrate using double alkoxide solutions. Changes of the dielectric constant as a function of temperature in the range of −200–200°C indicate that the transition from paraelectric to ferroelectric phase ta…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesDielectric materials and actuators

Energetics of charged domain walls in ferroelectric crystals

Y. Y. Liu、J. J. Liu、Shuhong Xie 等 4 位作者2007-10-22Applied Physics Letters

We calculated the energy variation due to the emergence of a new domain in barium titanate single crystal using equivalent inclusion method, and energy minimizing domain morphology and orientations have been identified. It is found that the energy difference between the charged and uncharged domain walls is relatively…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Fabrication of carbon nanotube-based nanodevices using a combination technique of focused ion beam and plasma-enhanced chemical vapor deposition

Jingrui Wu、Micah Eastman、Timothy Gutu 等 9 位作者2007-10-22Applied Physics Letters

This study focuses on the fabrication of two nanodevice prototypes which utilized vertical and horizontal carbon nanotubes used the focused ion beam to localize the catalysts, followed by plasma-enhanced chemical vapor deposition. First, metal-gated carbon nanotube field emitter arrays were fabricated on multilayer su…

Carbon Nanotubes in CompositesAdvanced Electron Microscopy Techniques and ApplicationsNanopore and Nanochannel Transport Studies

Common origin of ferromagnetism and band edge Zeeman splitting in GaMnAs at low Mn concentrations

R. Chakarvorty、Si Shen、Ki‐Ju Yee 等 9 位作者2007-10-22Applied Physics Letters

We report magnetic circular dichroism measurements on thin GaMnAs films with low Mn concentration, which reveal that exchange-induced spin splitting of the band edges occurs only in samples that show ferromagnetic order, and is not observed in paramagnetic samples. These results lead to the conclusion that Mn ions in…

Magnetic properties of thin filmsZnO doping and propertiesMagnetic and transport properties of perovskites and related materials

Nonuniform structural degradation in porous organosilicate films exposed to plasma, etching, and ashing as characterized by x-ray porosimetry

Hae‐Jeong Lee、Christopher L. Soles、Eric K. Lin 等 5 位作者2007-10-22Applied Physics Letters

X-ray porosimetry is used to characterize the porosity, the average film density, and the density of the wall material between the pores in ultralow-k films as a function of film thickness. These measurements are performed on films that have been plasma treated as well as plasma etched and an ashed to evaluate how the…

Metal and Thin Film MechanicsSemiconductor materials and devicesCopper Interconnects and Reliability

Supramolecular polymer/metal salt complexes containing quadruple hydrogen bonding units

Kyung Ju Lee、Yong‐Woo Kim、Joo Hwan Koh 等 4 位作者2007-10-22Journal of Polymer Science Part B Polymer Physics

Abstract A supramolecular material containing quadruple hydrogen bonding sites was prepared by reacting the amines of methyl isocytosine and the epoxy groups of poly (ethylene glycol diglycidyl ether). This supramolecular polymer was complexed with metal salt, that is potassium iodide, to produce polymer electrolytes,…

Metal-Organic Frameworks: Synthesis and ApplicationsConducting polymers and applicationsCovalent Organic Framework Applications