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van der Waals forces in density functional theory: The vdW-DF method

Kristian Berland、Valentino R. Cooper、Kyuho Lee 等 7 位作者2014-12-21arXiv

A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to the construction of the Rutgers-Chalmers van der Waals Density Functional (vdW-DF) are presented with the aim of giving a historical…

Mesoscale and Nanoscale PhysicsMaterials ScienceSoft Condensed MatterChemical Physicsphysics.comp-ph

Shift of Fermi level by substitutional impurity-atom doping in diamond and cubic- and hexagonal-boron nitrides II. Generalized Gradient Approximation

Koji Kobashi2014-12-21arXiv

In succession to the first paper (arXiv 1406.6204v5), the impurity-atom concentrations when the Fermi levels are either at the valence band maximum (VBM) or the conduction band minimum (CBM) were identified for diamond, cubic boron nitride (cBN), and hexagonal boron nitride (hBN) using the Korringa-Kohn-Rostoker (KKR)…

Materials Science

A brief introduction to giant magnetoresistance

Liu Chang、Min Wang、Lei Liu 等 5 位作者2014-12-21arXiv

Giant magnetoresistance (GMR) is a quantum mechanical magnetoresistance effect observed in thin film structures composed of alternating ferromagnetic and nonmagnetic layers. The effect manifests itself as a significant decrease (typically 10-80%) in electrical resistance in the presence of a magnetic field. The effect…

Materials Science

Design of the gas turbine engine rotor wheel with ceramic blades

Д.В. Сапронов、С. В. Резник2014-12-20Вестник Самарского государственного аэрокосмического университета им. академика С.П. Королёва (национального исследовательского университета)

The use of ceramic parts in the hot section of a gas turbine engine will make it possible to increase theengine efficiency due to the increased operating gas temperature at the combustion chamber outlet and reducedair consumption for blade cooling, as well as significantly reduce the weight of the parts due to the low…

Material Properties and ApplicationsAdvanced Power Generation TechnologiesEngineering Diagnostics and Reliability

Fabrication of laminated ZrC-SiC composite by vacuum hot-pressing sintering

Yuanyuan Li、Qinggang Li、Zhi Wang 等 6 位作者2014-12-20Journal of Asian Ceramic Societies

Laminated ZrC-SiC ceramic was prepared through tape casting and hot pressing. The green tapes of ZrC and SiC were prepared at room temperature. In order to improve the density of composite, the binder of green tapes were removed at 550 °C for 1 h. The laminated structure and the cracks propagation path, which is not a…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Two newPrestauroneisBruder & Medlin (Bacillariophyceae) species from Zoigê Wetland, Sichuan Province, China, and comparison withParlibellusE.J. Cox.

Q. Liu、John Patrick Kociolek、Quanxi Wang 等 4 位作者2014-12-20Diatom Research

We present light and scanning electron microscopy on two new species of Prestauroneis from the Zoigê Wetland, Sichuan Province, China. Prestauroneis nenwai sp. nov. is rhomboid in shape with acutely rounded apices. Striae around the central area are more widely spaced than elsewhere on the valve, and distinct pseudose…

Marine and coastal ecosystemsMarine Toxins and Detection MethodsDiatoms and Algae Research

The role of amateurs in modern diatom research

Loren L. Bahls2014-12-20Diatom Research

Amateurs or hobbyists have made significant contributions to diatom research since the inception of our discipline in the late eighteenth century. Many of these contributions were made early in our history when there was little distinction between professionals and amateurs, and both could participate equally. But sta…

Diatoms and Algae Research

Magnetically driven vertical alignment of liquid crystals by ferromagnetic particles

Farzana Kabir Ahmad、Muhammad Jamil、Jin‐Woo Lee 等 4 位作者2014-12-20Liquid Crystals

We propose a simple methodology to vertically align nematic liquid crystal (LC) molecules by a single-step process. This is achieved by dispersing a small amount of ferromagnetic particles in LCs under a weak magnetic field. For this purpose, a magnetic field of 0.1T is applied for 5 min. The resulting vertical arrang…

Liquid Crystal Research AdvancementsOrbital Angular Momentum in OpticsPlant Reproductive Biology

Non-Isothermal Degradation of Vitamin C by Simultaneous Thermogravimetric and Differential Thermal Analysis

Dijana Jelić、Aleksandra Đukić-Drvar2014-12-20Quality of Life (Banja Luka) - APEIRON

The non-isothermal degradation process of Vitamin C (Galenika, Serbia) was investigated by simultaneous thermogravimetric and differential thermal analysis (TG-DTA), in the temperature range from an ambient one up to 650°C. The scope of presented work is toward stability of active pharmaceutical substance – ascorbic a…

Computational Drug Discovery MethodsThermal and Kinetic Analysisthermodynamics and calorimetric analyses

Nanocomposites Based on Polytetrafluoroethylene and Ultrahigh Molecular Weight Polyethylene: A Brief Review

Iu. V. Kirillina、Л. А. Никифоров、А. А. Охлопкова 等 6 位作者2014-12-20Bulletin of the Korean Chemical Society

Deficiencies in wear and frost resistance as well as mechanical strength constitute the main causes of equipment failure under the harsh climatic conditions of the Earth's polar regions. To improve the properties of the materials used in this equipment, nanoparticle composites have been prepared from clays such as kao…

Tribology and Wear AnalysisMaterial Properties and ApplicationsErgonomics and Human Factors

Thermal cycling behavior and hot corrosion performance of the plasma sprayed Er2Si2O7coatings deposited on Cf/SiC composites

Zuhair S. Khan、Binglin Zou、Xiaolong Chen 等 7 位作者2014-12-20Journal of Asian Ceramic Societies

Rare-earth based disilicates are promising coating materials for Cf/SiC composites. In this study, Er2Si2O7 coating was deposited on the Cf/SiC substrate by atmospheric plasma spraying using the solid-state reaction synthesized powders. Sintered Er2Si2O7 coupons derived from the synthesized powders were subjected to d…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Fabrication of Cellulose Nanocrystals from Agricultural Compost

Rashmi R. Devi、Prodyut Dhar、Ajay S. Kalamdhad 等 4 位作者2014-12-20Compost Science & Utilization

Cellulose nanocrystals have emerged as replacements for man-made fibers to fabricate environmentally friendly green products. In this work, cellulose nanocrystals (CNCs) of mixed morphology were synthesized by acid hydrolysis of compost using sulfuric acid. Compost, an agro-based biomass feedstock, procured from water…

Advanced Cellulose Research StudiesPolysaccharides and Plant Cell Walls

Handbook of Inorganic Substances

P. Villars、Karin Cenzual、R. Gladyshevskii2014-12-20OpenAlex

Since the discovery of X-ray diffraction in 1913 over 100 000 different inorganic substances (also called compounds or phases) have been structurally characterized. The aim of this reference work is to provide the researcher with a comprehensive compilation of all up to now crystallographically identified inorganic su…

Zeolite Catalysis and SynthesisCrystal Structures and PropertiesX-ray Diffraction in Crystallography

Ferroelectric compounds with chiral (S)-1-methylheptyloxycarbonyl terminal chain – their miscibility and a helical pitch

Katarzyna Kurp、Michał Czerwiński、Marzena Tykarska2014-12-20Liquid Crystals

Compounds with the same chiral terminal chain but different structure of rigid core and non-chiral terminal chain were added to basic highly tilted ferroelectric compound in the aim of establishing whether the miscibility of phases, especially ferroelectric phase, exists in these compounds and what are the helical pit…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsMolecular spectroscopy and chirality

Antitumor effect of free rhodium (II) citrate and rhodium (II) citrate-loaded maghemite nanoparticles on mice bearing breast cancer: a systemic toxicity assay

Raphael Cândido Apolinário Peixoto、Ana Luisa Miranda‐Vilela、José de Souza Filho 等 8 位作者2014-12-20Tumor Biology

Breast cancer is one of the most prevalent cancer types among women. The use of magnetic fluids for specific delivery of drugs represents an attractive platform for chemotherapy. In our previous studies, it was demonstrated that maghemite nanoparticles coated with rhodium (II) citrate (Magh-Rh2Cit) induced in vitro cy…

Nanoparticle-Based Drug DeliveryNanomaterials for catalytic reactionsGraphene and Nanomaterials Applications

DEGRADATION OF THE MAIN GAS PIPELINE MATERIAL AND MECHANISMS OF ITS FRACTURE

Pavlo Maruschak、Iryna Danyliuk、Olegas Prentkovskis 等 6 位作者2014-12-20Journal of Civil Engineering and Management

The effect of the in-service scattered damage in the pipe wall metal is evaluated, and the effect of hydrogen absorbed by metal on the variation of the structure and mechanical properties of the main gas pipeline after a long-term operation is found. The main regularities in the graded nature of the static deformation…

Hydrogen embrittlement and corrosion behaviors in metalsEngineering Diagnostics and ReliabilityMaterial Properties and Failure Mechanisms

Accelerated aging effects on carbon fiber PEKK composites manufactured by hot compression molding

Rogério Lago Mazur、Geraldo Maurício Cândido、Mirabel Cerqueira Rezende 等 4 位作者2014-12-20Journal of Thermoplastic Composite Materials

The accelerated aging effects on mechanical properties of carbon fiber-reinforced polyetherketoneketone (PEKK) thermoplastic composites are reported. Ultraviolet (UV) radiation and moisture absorption may induce property changes that weaken the polymeric matrix and/or deteriorate the matrix fiber interface by debondin…

Mechanical Behavior of CompositesNatural Fiber Reinforced CompositesFiber-reinforced polymer composites

Synthetic strategies for preparation of cyclen-based MRI contrast agents

Nevenka Cakić、Serhat Gündüz、Rathikrishnan Rengarasu 等 4 位作者2014-12-20Tetrahedron Letters

Cyclen-based macrocyclic ligands have an essential role in the development of contrast agents for magnetic resonance imaging (MRI). A prevailing need for preparation of multifunctional probes triggered a number of attempts to synthesize and derivatize ligands which efficiently chelate lanthanide ions and have advantag…

Medical Imaging Techniques and ApplicationsLanthanide and Transition Metal ComplexesRadiopharmaceutical Chemistry and Applications

Highly fluorescent CdTe quantum dots with reduced cytotoxicity-A Robust biomarker

Jandi Kim、Bui The Huy、Kavitha Sakthivel 等 8 位作者2014-12-20Sensing and Bio-Sensing Research

l -Cysteine (Cys) capped CdTe quantum dots (CdTe@Cys QDs) were successfully synthesized in an aqueous medium. The synthesized CdTe@Cys samples were analyzed using Fourier transform infrared (FT-IR) spectroscopy, fluorescence (FL) spectroscopy, transmission electron microscopy (TEM), confocal microscopy and subsequentl…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesCarbon and Quantum Dots Applications