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Nuclear quantum effects in a 1-D model of hydrogen bonded ferroelectrics

Kjartan Thor Wikfeldt2014-12-16Journal of Physics Conference Series

A one dimensional model of a coupled hydrogen (H) bonding chain is developed and parametrized to density functional theory (DFT) calculations on squaric acid, a prototypical H-bonded antiferroelectric crystal. The energetics of single and collective proton jumps and its dependence on H-bond length, as obtained by DFT,…

Crystallography and molecular interactionsAdvanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallography

Effects of Chemical Structure of Phenolic Resin on Damping Properties of Acrylate Rubber-Based Blends

Chang Su、Cunbin Zhao、Lihuan Xu 等 4 位作者2014-12-16Journal of Macromolecular Science Part B

Two types of acrylate rubber (AR)-based damping blends were prepared by using two types of phenolic resins (PF), a resole resin (RR) and a novolac resin (NR), as organic fillers. The structure and damping properties of the AR/RR and AR/NR blends obtained by hot-pressing were characterized and compared by Fourier trans…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingTribology and Wear Analysis

QD-Salt Mixed Crystals: the Influence of Salt-Type, Free-Stabilizer, and pH

Marcus Adam、Remo Tietze、Nikolai Gaponik 等 4 位作者2014-12-16Zeitschrift für Physikalische Chemie

Abstract Colloidal quantum dots (QDs) bear a huge potential in different application fields due to their unique properties. Unfortunately, their limited stability against environmental influences and the limited processability of the colloidal solutions restricts, among other factors, their widespread implementation.…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Synthesis of cyclopentyloxy terphenyl liquid crystals with negative dielectric anisotropy

Tien-Hsin Lee、Jiun‐Tai Chen、Chain‐Shu Hsu2014-12-16Liquid Crystals

Liquid crystalline materials possessing negative dielectric anisotropy (Δε) have attracted considerable attention because they can be used to formulate eutectic mixture for several display applications. The negative Δε can be achieved by introducing a lateral polar substituent onto the mesogen core of a liquid crystal…

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsSynthesis and properties of polymers

Low-Temperature Preparation of a Carbon Nanotube–ZnO Hybrid on Glass Substrate for Field Emission Applications

M. K. Tabatabaei、H. Ghafoori Fard、Javad Koohsorkhi2014-12-16NANO

A new method for preparation of a carbon nanotube (CNT)–zinc oxide hybrid on a glass substrate at low temperature is introduced and the stability improvement of field emission of CNTs is reported. The emission current stability and substrate material are the two main commercial parameters for field emission applicatio…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Temperature-dependent thermal conductivities of one-dimensional nonlinear Klein-Gordon lattices with a soft on-site potential

Linlin Yang、Nianbei Li、Baowen Li2014-12-16Physical Review E

The temperature-dependent thermal conductivities of one-dimensional nonlinear Klein-Gordon lattices with soft on-site potential (soft-KG) are investigated systematically. Similarly to the previously studied hard-KG lattices, the existence of renormalized phonons is also confirmed in soft-KG lattices. In particular, th…

Thermal properties of materialsNonlinear Photonic SystemsThermal Radiation and Cooling Technologies

A comprehensive energy approach to predict fatigue life in CuAlBe shape memory alloy

Shima Sameallah、V. Legrand、Luc Saint-Sulpice 等 5 位作者2014-12-16Smart Materials and Structures

Stabilized dissipated energy is an effective parameter on the fatigue life of shape memory alloys (SMAs). In this study, a formula is proposed to directly evaluate the stabilized dissipated energy for different values of the maximum and minimum applied stresses, as well as the loading frequency, under cyclic tensile l…

Shape Memory Alloy TransformationsTitanium Alloys Microstructure and Properties

A novel NH 3 slip control for diesel engine selective catalytic reduction aftertreatment system

Xinmei Yuan、Ying Gao、Xiulei Wang2014-12-16International Journal of Engine Research

To meet the future emission legislations, selective catalytic reduction aftertreatment system becomes a leading aftertreatment technique for heavy-duty diesel engines. In this article, a two-cell selective catalytic reduction model is first calibrated and verified on an experimental test bench. In order to regulate th…

Catalytic Processes in Materials ScienceVehicle emissions and performanceIndustrial Gas Emission Control

Microscopic magnetic nature of K2NiF4-type 3d transition metal oxides

Jun Sugiyama、Hiroshi Nozaki、Izumi Umegaki 等 10 位作者2014-12-16Journal of Physics Conference Series

In order to elucidate the magnetic nature of K 2 NiF 4 -type 3 d transition metal oxides, we have measured μ + SR spectra for Sr 2 VO 4 , LaSrVO 4 , and Sr 2 CrO 4 using powder samples. ZF- and wTF- μ + SR measurements propose that Sr 2 VO 4 enters into the static antiferromagnetic (AF) order phase below 8 K. In addit…

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

Search for the global minimum structures of AlB3H2n(n = 0 − 6) clusters

İskender Muz、Osman Canko、Murat Ati̇ş 等 4 位作者2014-12-16Journal of Computational Chemistry

The global minimum structures of AlB3H2n (n = 0-6) clusters are determined using the stochastic search method at the B3LYP/6-31G level of theory. These initially specified geometries are recalculated using B3LYP and CCSD(T) methods using the 6-311++G(**) basis set. The structural and electronic properties of the two l…

Hydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and Alloys

Bent-shaped liquid crystals based on 4-substituted 3-hydroxybenzoic acid central core

Michal Kohout、Václav Kozmı́k、Markéta Slabochová 等 7 位作者2014-12-16Liquid Crystals

Hereby, we present synthesis and mesomorphic properties of bent-shaped liquid crystals with 3-hydroxybenzoic acid central core. The mesomorphic properties were tuned by lateral substitution in the position 4 of the central unit and by the length of the terminal alkyl chains. For comparison, materials based on 4-fluoro…

Liquid Crystal Research AdvancementsAdvanced Materials and MechanicsPlant Reproductive Biology

Magnetism in Oxygen-Functionalized Hexagonal Boron Nitride Nanosheet on Copper Substrate

Yufeng Guo、Wanlin Guo2014-12-16The Journal of Physical Chemistry C

Wide-bandgap hexagonal boron nitride (h-BN) nanosheets, white graphene, can be uniformly grown on conducting Cu foils with high quality. Here, we show that h-BN monolayers on Cu substrates exhibit ferromagnetic, antiferromagnetic, or ferrimagnetic properties with ozone (O 3 ) molecules or oxygen–hydrogen (O–H 2 ) grou…

Graphene research and applications2D Materials and ApplicationsQuantum and electron transport phenomena

Modification of physical properties of poly(L-lactic acid) by addition of methyl-β-cyclodextrin

Toshiyuki Suzuki、Ayaka Ei、Yoshihisa Takada 等 6 位作者2014-12-16Beilstein Journal of Organic Chemistry

Poly(L-lactic acid) (PLLA) is a biodegradable plastic and one of the most famous plastics made from biobased materials. However, its physical strength is insufficient compared to general-purpose plastics. In this study, the effect of methylcyclodextrin (MeCD) addition on the structure and physical properties, especial…

Bone Tissue Engineering MaterialsAdvanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and properties

Processing of Kaolinite and Alumina Loaded in Natural Rubber Composite Foams

Nuchnapa Tangboriboon、Surarit Samattai、Jirarat Kamonsawas 等 4 位作者2014-12-16Materials and Manufacturing Processes

Composite natural rubber foams were successfully prepared from the vulcanization of natural rubber in a sulfur curing system. The natural rubber matrix phase was added with chlorinated polyethylene, kaolinite, and alumina. The morphology of natural rubber composite foams was altered when a gas was generated at the vul…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingFlame retardant materials and properties

Ionic conductivity probed in main chain liquid crystalline azobenzene polyesters

Chinmay G. Nardele、Vishal M. Dhavale、K. Sreekumar 等 4 位作者2014-12-16Journal of Polymer Science Part A Polymer Chemistry

ABSTRACT Three main chain thermotropic liquid crystalline (LC) azobenzene polymers were synthesized using the azobenzene twin molecule (P4P) having the structure Phenylazobenzene‐tetraethyleneglycol‐Phenylazobenzene as the AA monomer and diols like diethylene glycol, tetraethylene glycol (TEG), and hexaethylene glycol…

Liquid Crystal Research AdvancementsConducting polymers and applicationsSynthesis and properties of polymers

Influence of non-covalent modification of multiwalled carbon nanotubes on the crystallization behaviour of binary blends of polypropylene and polyamide 6

Nabaneeta Mukhopadhyay、Ajay S. Panwar、Gulshan Kumar 等 5 位作者2014-12-16Physical Chemistry Chemical Physics

Blends of polypropylene (PP) and polyamide 6 (PA6) with multiwalled carbon nanotubes (MWNTs) were prepared using different processing strategies in a twin-screw micro-compounder. The effect of MWNTs on the crystallization behaviour of the PP phase and the PA6 phase of the blend has been investigated through non-isothe…

Carbon Nanotubes in CompositesPolymer crystallization and propertiesPolymer Nanocomposites and Properties

The cyclic nature of porosity in anodic TiO 2 nanotube arrays

Paula Quitério、Arlete Apolinário、C. T. Sousa 等 6 位作者2014-12-16Journal of Materials Chemistry A

A complex cyclic TiO <sub>2</sub> -NTs porosity trend throughout anodization was found, due to the microscopic mechanisms behind the nanotubes' formation and growth.

Corrosion Behavior and InhibitionSemiconductor materials and devicesAnodic Oxide Films and Nanostructures

Synthesis, Characterization and Application of Co–MgO Mixed Oxides in Oxidation of Carbon Monoxide

Zohreh Fattah、Mehran Rezaei、Abolfazl Biabani-Ravandi 等 5 位作者2014-12-16Chemical Engineering Communications

The present work deals with the synthesis of nanostructured Co–MgO mixed oxides with different weight ratios of cobalt by a facile co-precipitation method as a catalyst for low-temperature CO oxidation. The prepared samples were characterized by X-ray diffraction (XRD), N2 adsorption/desorption (BET), Fourier transfor…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsMagnesium Oxide Properties and Applications

In‐plane and out‐of‐plane defects of graphite bombarded by H, D and He investigated by atomic force and Raman microscopies

C Pardanaud、C. Martin、Gilles Cartry 等 8 位作者2014-12-16Journal of Raman Spectroscopy

Graphite samples exposed to H, D and He plasma at fluencies from 10 16 to 10 18 cm −2 have been investigated by means of atomic force and Raman microscopies. The ion energy was varied between 40 and 800 eV, and the ion incidence was either perpendicular (Highly Oriented Pyrolitic Graphite) or parallel (carbon/carbon c…

Graphene research and applicationsDiamond and Carbon-based Materials ResearchIon-surface interactions and analysis

Improved hydrothermal stability of silica materials prepared from ethyl silicate 40

Shengnan Wang、David Wang、Kevin S. Jack 等 5 位作者2014-12-16RSC Advances

Hydrothermally stable ES40-derived silica matrices with less than 30% pore volume loss are closely associated with a more open silica microstructure formed from thermal consolidation of larger silica particles.

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisAerogels and thermal insulation