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Fragment Hamiltonian model potential for nickel: metallic character and defects in crystalline lattices

Steven M. Valone、Susan R. Atlas、M. I. Baskes2014-05-05Modelling and Simulation in Materials Science and Engineering

The Fragment Hamiltonian (FH) model is introduced as the basis for a new class of atomistic potentials that may be viewed as generalizations of the embedded atom method (EAM) and related atomistic potentials. Many metals and alloys have been successfully modeled by this method and other related methods, but the nature…

Metal and Thin Film MechanicsBoron and Carbon Nanomaterials ResearchMachine Learning in Materials Science

A broadband omnidirectional absorber based on a hetero-structure composed of epsilon-negative material and mu-negative material

Jiandong Liu、Shaobin Liu、Kong Xiang 等 4 位作者2014-05-05The European Physical Journal Applied Physics

A broadband omnidirectional absorber which is realized by heterostructures containing a collision plasma layer and a zero − n̅ mirror is theoretically investigated. A collision plasma layer and an appropriate dielectric layer are put on the top of the PC. It is shown to absorb roughly 70% of all available electromagne…

Antenna Design and AnalysisMetamaterials and Metasurfaces ApplicationsAdvanced Antenna and Metasurface Technologies

Nanoscale transport of phonons: Dimensionality, subdiffusion, molecular damping, and interference effects

Kamil Walczak、Kirk L. Yerkes2014-05-05Journal of Applied Physics

We examine heat transport carried by acoustic phonons in the systems composed of nanoscale chains of masses coupled to two thermal baths of different temperatures. Thermal conductance is obtained by using linearized Landauer-type formula for heat flux with phonon transmission probability calculated within atomistic Gr…

Thermal properties of materialsThermoelastic and Magnetoelastic PhenomenaThermal Radiation and Cooling Technologies

Yttria-stabilized zirconia buffered silicon to optimize in-plane electrical conductivity of [Ca2CoO3]0.62[CoO2] thin films

T. Kraus、Alfred Grießer、Oliver Klein 等 6 位作者2014-05-05Applied Physics Letters

The monolithic integration of thermoelectric generators and magnetoresistive functionality on the basis of misfit cobaltate [Ca2CoO3]0.62[CoO2] thin films into silicon technology is a prerequisite for their application in miniaturized electric circuits. Here, we report on [Ca2CoO3]0.62[CoO2] thin films grown by pulsed…

Advanced Thermoelectric Materials and DevicesMagnetic and transport properties of perovskites and related materialsThermal Expansion and Ionic Conductivity

Impacts of Non-Traditional Uses of Polyurethane Foam in Automotive Applications at End of Life

Lindsay Miller、Susan Sawyer-Beaulieu、Edwin Tam2014-05-05SAE International Journal of Materials and Manufacturing

Polyurethane (PU) foam is used for many automotive applications with the benefits of being lightweight, durable, and resistant to heat and noise. Applications of PU foams are increasing to include non-traditional purposes targeting consumer comfort. An example of this is the use of PU foam between the engine and engin…

biodegradable polymer synthesis and propertiesAdditive Manufacturing and 3D Printing TechnologiesPolymer Foaming and Composites

Growth of the cobalt nanowires using AC electrochemical deposition on anodized aluminum oxide templates

Farzaneh Hekmat、Beheshteh Sohrabi、Mohammad S. Rahmanifar2014-05-05Journal of nanostructure in chemistry

The nanopore arrays were fabricated by a two-step anodization of aluminum in an aqueous solution of 0.3 M oxalic acid at the temperature of 6 °C by applying a constant direct current (DC) of 40 V. A template-assisted synthesis of Co nanowire arrays was carried out by electrodeposition into the pores of prepared AAO te…

Electrodeposition and Electroless CoatingsAnodic Oxide Films and NanostructuresNanoporous metals and alloys

Ursprung der Selektivität und Aktivität von Ru‐Clusterkatalysatoren für die Brennstoffzellen‐Prozessgasreinigung: ein Gasphasenansatz

Sandra M. Lang、Thorsten M. Bernhardt、Marjan Krstić 等 4 位作者2014-05-05Angewandte Chemie

Abstract Rutheniumcluster Run+ (n=2–6) in der Gasphase werden als Modellsysteme verwendet, um den Ursprung der außergewöhnlichen Eigenschaften trägerfixierter subnanometergroßer Rutheniumpartikel bei der katalytischen CO‐Methanisierung mit Bezug zur Wasserstoff‐Prozessgasreinigung für hochentwickelte Brennstoffzellena…

Catalytic Processes in Materials ScienceCarbon dioxide utilization in catalysisCO2 Reduction Techniques and Catalysts

Anomalous temperature dependence in valence band spectra: A resonant photoemission study of layered perovskite Sr2CoO4

Pankaj Kumar Pandey、R. J. Choudhary、D. M. Phase2014-05-05Applied Physics Letters

Valence band spectra (VBS) and its modification across Curie temperature (TC) of Sr2CoO4 thin film are studied using resonant photoemission spectroscopy. It is found that VBS mainly consists of hybridized states of Co-3d t2geg and O-2p; however, Co-3d eg states show its prominence only in the ferromagnetic temperature…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Étude de l’élimination du Cr(VI) par l’oxyde mixte obtenu par calcination de l’hydroxyde double lamellaire MgAl

L. Arab、Mokhtar Boutahala、Brahim Djellouli2014-05-05Comptes Rendus Chimie

L’hydrotalcite Mg 2 Al-CO 3 (HT) contenant des anions carbonates intercalés a été synthétisé par la méthode de coprécipitation. Afin de connaître les différentes propriétés structurales et texturales du matériau synthétisé, diverses techniques physicochimiques ont été utilisées, à savoir la diffraction des rayons X (D…

Mesoporous Materials and CatalysisLayered Double Hydroxides Synthesis and ApplicationsMagnesium Oxide Properties and Applications

Performance of solid oxide fuel cells approaching the two-dimensional limit

Kian Kerman、Shriram Ramanathan2014-05-05Journal of Applied Physics

We model electrochemical kinetics and physical conduction mechanisms for carrier transport in electrolyte membranes to determine the limits of dimensionality reduction (down to 1 nm) on maximum power output of solid oxide fuel cells with symmetric Pt electrodes. Using Y-doped ZrO2, we find a minimum thickness of ∼6 nm…

Advancements in Solid Oxide Fuel CellsSemiconductor materials and devicesElectronic and Structural Properties of Oxides

Chemical and Morphological Alterations Effected by Methylamine Reactions on Polyesters

Graecia Lugito、Lai‐Yen Wang、Eamor M. Woo2014-05-05Macromolecular Chemistry and Physics

Etching agents, including methylamine (MA) and several others, are used in many studies for exposing the crystal assembly in contrast to amorphous domains in polymer samples, for better morphology contrast. The selection of etching agents must be careful, so as not to alter the original chemical and crystal nature; ot…

Advanced Sensor and Energy Harvesting MaterialsPolymer crystallization and propertiesbiodegradable polymer synthesis and properties

Identification of dominant scattering mechanism in epitaxial graphene on SiC

Jingjing Lin、Liwei Guo、Yuping Jia 等 10 位作者2014-05-05Applied Physics Letters

A scheme of identification of scattering mechanisms in epitaxial graphene (EG) on SiC substrate is developed and applied to three EG samples grown on SiC (0001), (112¯0), and (101¯0) substrates. Hall measurements combined with defect detection technique enable us to evaluate the individual contributions to the carrier…

Graphene research and applicationsSilicon Carbide Semiconductor TechnologiesDiamond and Carbon-based Materials Research

Relation between Distortions in the Oxygen Sublattice and the Local Order of Zr in Nanostructured ZrO2–CeO2 Mixed Oxides

Leandro M. Acuña、Rodolfo O. Fuentes、Márcia Carvalho de Abreu Fantini 等 4 位作者2014-05-05The Journal of Physical Chemistry C

In the present work, the local order of Zr in ZrO 2 –CeO 2 nanopowders (with 50, 65, 70, and 90 mol % CeO 2 ) was studied by extended X-ray absorption fine structure around the Zr K-edge. In the cases of ZrO 2 –50 and 65 mol % CeO 2, we studied how the local order is affected by the phase transition at high temperatur…

High-pressure geophysics and materialsNuclear materials and radiation effectsX-ray Diffraction in Crystallography

Hydrogen Embrittlement Susceptibility of Precipitation Strengthened Ni-base Superalloys

Samuel J. Kernion、John H. Magee、Thomas N. Werley 等 4 位作者2014-05-05Offshore Technology Conference

Abstract This paper discusses the results of an on-going investigation to rank the hydrogen embrittlement susceptibility of precipitation strengthened Ni-based superalloys using a rising step load (RSL) technique in four-point bending. Alloys characterized include UNS N07716, UNS N09925, and UNS N07718 heat treated to…

Hydrogen embrittlement and corrosion behaviors in metalsHigh Temperature Alloys and CreepMaterial Properties and Failure Mechanisms

Magnetic properties of high-symmetry CuO

K. S. Rabinovich、L. L. Samoilenko、Anna S. Zhuravleva 等 4 位作者2014-05-05Applied Physics Letters

We investigated structural and magnetic properties of CuO-Cu2O heterostructures obtained by high-temperature annealing of copperplate. In samples synthesized at 900 °C, an antiferromagnetic alignment phase was found at the Neel temperature TN = 600 K in fields greater than 20 Oe. At lower fields, diamagnetic alignment…

Physics of Superconductivity and MagnetismZnO doping and propertiesCopper-based nanomaterials and applications

Comparison of the Role of M g O and C a O Additives on the Microstructures of Reaction‐Sintered Zirconia–Mullite Composite

Debasis Chandra、G. C. Das、Saikat Maitra2014-05-05International Journal of Applied Ceramic Technology

Isostatically pressed dense reaction‐sintered zirconia–mullite composites were prepared from zircon flour and reactive alumina with different proportions of M g O and C a O additives. The pressed compacts were sintered at elevated temperatures with variable soaking times. Development of different phases and microstruc…

Advanced ceramic materials synthesisRecycling and utilization of industrial and municipal waste in materials productionAdvanced materials and composites

Enhancements of clay exfoliation in polymer nanocomposites using a chemical blowing agent

Oana M. Istrate、Biqiong Chen2014-05-05Polymer International

Abstract A novel approach, via the use of a blowing agent (BA), to enhance clay exfoliation in polymer nanocomposites is reported. A commercial organoclay was treated with a common low‐cost BA, which was then melt‐processed with polymers in an extruder. The characterization results revealed that the degrees of exfolia…

Polymer Nanocomposites and PropertiesTribology and Wear AnalysisPolymer Nanocomposite Synthesis and Irradiation

Ln(IO3)3 (Ln = Ce, Nd, Eu, Gd, Er, Yb) Polycrystals As Novel Photocatalysts for Efficient Decontamination under Ultraviolet Light Irradiation

Wenjun Wang、Hefeng Cheng、Baibiao Huang 等 7 位作者2014-05-05Inorganic Chemistry

Ln(IO3)3 (Ln = Ce, Nd, Eu, Gd, Er, Yb) polycrystals were hydrothermally synthesized using lanthanide nitrate or lanthanide oxide and iodic acid as precursors. X-ray diffraction was used to characterize the crystal structures of the Ln(IO3)3 products. Scanning electron microscopy was carried out to observe the microsco…

Luminescence Properties of Advanced MaterialsCrystal Structures and PropertiesRadioactive element chemistry and processing

Physical origins of weak H2 binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbons

Kanchan Ulman、Debarati Bhaumik、Brandon C. Wood 等 4 位作者2014-05-05The Journal of Chemical Physics

We have performed ab initio density functional theory calculations, incorporating London dispersion corrections, to study the absorption of molecular hydrogen on zigzag graphene nanoribbons whose edges have been functionalized by OH, NH2, COOH, NO2, or H2PO3. We find that hydrogen molecules always preferentially bind…

Advancements in Battery MaterialsGraphene research and applicationsHydrogen Storage and Materials

P(NIPAAM-co-HEMA) thermoresponsive hydrogels: an alternative approach for muscle cell sheet engineering

Chiara Villa、Federico Martello、Silvia Erratico 等 7 位作者2014-05-05Journal of Tissue Engineering and Regenerative Medicine

Loss of skeletal muscle tissue caused by traumatic injury or damage due to myopathies produces a deficit of muscle function for which there is still no clinical treatment. Transplantation of myogenic cells, themselves or combined with materials, has been proposed to increase the regenerative capacity of skeletal muscl…

biodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications3D Printing in Biomedical Research