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Calculation of magnetic coupling constants with hybrid density functionals

Akseli Mansikkamäki2013-01-01Jyväskylä University Digital Archive (University of Jyväskylä)

The currently available computational methods for the calculation of magnetic coupling constants with density functional theory have been reviewed. These methods include modern approximations to the exchangecorrelation functional, such as hybrid, range-separated and double-hybrid functionals, as well as approaches to…

Advanced Chemical Physics StudiesMagnetism in coordination complexesSpectroscopy and Quantum Chemical Studies

Synthesis of Fe-Substituted Aluminosilicate and Aluminogermanate Nanotubes

Yungoo Song2013-01-01OpenAlex

In this paper, substitution of Fe 3+ for Al 3+ in the structure of aluminosilicate and aluminogermanate nanotubes was investigated at various mole ratios of Fe/Al from the mixed Al 2O3-Fe 2O3-SiO2 (GeO 2)-H2O solution in experimental conditions of 2 mM initial concentration and 2 day aging time at 98 0 C. The synthesi…

Clay minerals and soil interactionsIron oxide chemistry and applicationsLayered Double Hydroxides Synthesis and Applications

Facilitating CO2 capture at a cement plant

van Puyvelde、Richard A. Dennis2013-01-01Chemeca 2013: Challenging Tomorrow

The global cement industry has been active in reducing its emissions from cement production through energy efficiency, alternative fuels and clinker substitution. Nevertheless, greenhouse gas emissions from cement production reached 2 billion tonnes in 2011 and the International Energy Agency estimates that the cement…

Advancements in Solid Oxide Fuel CellsCarbon Dioxide Capture TechnologiesCO2 Sequestration and Geologic Interactions

상반신의 부분별 발한량, 피부온과 주관적 감각 고찰

김성숙、김희은2013-01-01OpenAlex

【This study aimed to measure the amount of sweating on 12 parts of the upper body using absorption fabric and analyze subjective sensations. The study was conducted with 9 male subjects in climate chamber controled at $30{\pm}0.5^{\circ}C$ , and $55{\pm}5%$ RH. The result was that sweating amount of the upper back par…

Thermoregulation and physiological responsesTextile materials and evaluationsInfrared Thermography in Medicine

Proračun strukturnih dimenzija pramčanog i krmenog dijela broda izloženim valnim udarnim opterećenjima prema pravilima klasifikacijskih društava

Hinko Zlopaša2013-01-01Repository of Faculty of Mechanical Engineering and Naval Architecture University of Zagreb

Cilj ovog rada je istražiti kako različiti pristupi dvaju klasifikacijskih društava, Det \\Norske Veritas i Lloyd's Register, utječu na dimenzije strukturnih elemenata. Kroz uvod i drugo poglavlje je pobliže objašnjena sama pojava udaranja u valove (eng. slamming). U trećem poglavlju su ukratko objašnjene razlike u pr…

Structural Integrity and Reliability AnalysisEngineering Structural Analysis MethodsMaterial Properties and Failure Mechanisms

Catalytic mechanism of serine racemase from Dictyostelium discoideum

Springer-Verlag Wien2013-01-01OpenAlex

The eukaryotic serine racemase fromDictyoste- lium discoideum is a fold-type II pyridoxal 5 0 -phosphate (PLP)-dependent enzyme that catalyzes racemization and dehydration of both isomers of serine. In the present study, the catalytic mechanism and role of the active site residues of the enzyme were examined by site-d…

Epigenetics and DNA MethylationEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

Photo induced effects in Bi∕As[sub 2]Se[sub 3] bilayer thin films

Ramakanta Naik、E. M. Vinod、C. Suresh Kumar 等 5 位作者2013-01-01AIP conference proceedings

Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation Ramakanta Naik, E. M. Vinod, C. Kumar, R. Ganesan, K. S. Sangunni; Photo induced effects in Bi/As…

Advanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsPhase-change materials and chalcogenides

Biodistribution of sodium borocaptate (BSH) for boron neutron capture therapy (BNCT) in an oral cancer model Marcela A. GarabalinoElisa M. HeberAndrea Monti HughesSara J. Gonzalez • Ana J. MolinariEmiliano C. C. PozziSusana NievasMaria E. ItoizRomina F. Aromando • David W. NiggWilliam BauerVeronica A. TrivillinAmanda E. Schwint

Verónica A. Trivillin、Amanda E. Schwint、Trivillin A. E. Schwint 等 9 位作者2013-01-01OpenAlex

Boron neutron capture therapy (BNCT) is based on selective accumulation of 10 B carriers in tumor followed by neutron irradiation. We previously proved the therapeutic success of BNCT mediated by the boron compounds boronophenylalanine and sodium decahyd- rodecaborate (GB-10) in the hamster cheek pouch oral cancer mod…

Boron and Carbon Nanomaterials ResearchRadiopharmaceutical Chemistry and ApplicationsBoron Compounds in Chemistry

A study on using composite materials for automotive clutch connector reliability

Chang-Heon Yi、Jong-Hyung Lee、Jae-Hyuk Byun2013-01-01Journal of the Korean Society of Manufacturing Process Engineers

Recently, energy-saving technology is rapidly becoming a crucial issue for mankind due to the depletion of natural resources. From this perspective, every automobile manufactures are trying to develop light materials and to validate safety with environmental consideration. In this study, we developed clutch connector…

Recycling and Waste Management TechniquesEngineering Applied ResearchMetallurgy and Material Science

Sn-Ag3.0-Cu0.5/Cu金属间化合物生长行为及其对PBGA焊点热疲劳可靠性的影响

肖革胜、杨雪霞、李志刚 等 5 位作者2013-01-01稀有金属材料与工程

利用SMT全自动回流焊机和高温恒温试验箱,制备出经2次回流焊且不同时效处理时间的Sn-Ag3.0-Cu0.5/Cu焊点试件,对其金属间化合物(IMC)的厚度进行测量,发现其厚度的增长与时效时间的平方根近似成线性关系.采用统一粘塑性Anand本构模型来描述焊点的力学性能,运用有限元计算软件ANSYS对PBGA构件进行热循环模拟,对其在不同IMC厚度下的应力和应变响应进行分析.结果表明,芯片右下方焊点右上角热循环结束后累积的等效塑性应变最大,是整个PBGA构件的关键焊点;随着IMC厚度的增加,关键焊点热循环过程中的等效应力水平不断降低,相应剪切塑性应变范围△γ不断增大,热疲劳寿命Nf则不断降低:升温和高温保温过程中剪切塑性应变的增加量…

Electronic Packaging and Soldering TechnologiesMetallurgical and Alloy ProcessesMetallurgy and Material Science

Espalhamento de pósitrons por moléculas de metano, fluoretos de metano e tetrafluoreto de carbono

E. Lange2013-01-01LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)

Abstract: In this work we present cross sections for low energy positron elastic scattering by molecules methane (CH4), fluoromethane (CH3F), difluoromethane (CH2F2), trifluoromethane (CHF3), and tetrafluoromethane (CF4), for energies up to 10 eV, using two different basis set in the description of the collision proce…

Atomic and Molecular PhysicsMuon and positron interactions and applicationsGraphite, nuclear technology, radiation studies

Improvement on Condition Assessment Model for Oil-paper Insulation

Hongyu Long2013-01-01Gao dianya jishu

Identification of the aging condition and the failure probability of oil-paper insulation in transformer is important for improving the reliability of electric power transmission system and applying life cycle cost (LCC) management to electrical equipment. Based on data obtained in a series of multi-accelerated-aging…

High voltage insulation and dielectric phenomenaEnergy Load and Power ForecastingPower Transformer Diagnostics and Insulation

Syntheses And Characterization Of New Oxoand Chalcohalides Of Transition Metals Belonging To 1st And 2nd Series

Faiz, Rabbani2013-01-01HEC National Digital Library

This thesis is based upon syntheses and characterization of new quaternary oxo-and chalcohalides of cobalt and cadmium, which include selenium ions (Se4+) that have a stereochemically active lone pair. A total of five new compounds Cd4Se2O7Cl2, Co4(SeO3)3Cl2, Co3Se4O10Cl2 and Co2V2Se2O11 are crystalline while Cd2SeCl2…

Chemical and Physical Properties of MaterialsPigment Synthesis and PropertiesMetallurgical and Alloy Processes

Cellular Automata and Naive Discrete Lines - I.

Isabelle Debled-Rennesson、Maurice Margenstern2013-01-01Journal of cellular automata

In this paper, we look at the possibility to implement the algorithm to construct a discrete line studied by the first author in cellular automata. It turns out that such an implementation is feasible.

Quasicrystal Structures and PropertiesCellular Automata and Applications

Back-End Interconnection, a Generic Concept for High Volume Manufacturing

Johan Bosman、T. Budel、C.J.G.M. d. Kok2013-01-01TNO Repository

The general method to realize series connection in thin film PV modules is monolithical interconnection through a sequence of laser scribes (P1, P2 and P3) and layer depositions. This method however implies that the deposition processes are interrupted several times, an undesirable situation in high volume processing.…

Electronic Packaging and Soldering Technologies3D IC and TSV technologiesCopper Interconnects and Reliability

Cardiac Hydatid Cysts Are Localized Left Ventricular Wall: A Case Report

Abdürrahim Çolak、Uğur Kaya、Azman Ateş 等 5 位作者2013-01-01Sakarya Medical Journal

Hydatid disease is a disease which is endemic in our country. Cardiac hydatid cyst is rare even in areas where the disease is endemic. Fatal complications, early diagnosis and treatment is important because it is common. Two-dimensional echocardiography, especially computed tomography (CT) and magnetic resonance imagi…

Parasitic infections in humans and animalsMXene and MAX Phase MaterialsCongenital Anomalies and Fetal Surgery

Impact of Varying the Carbon Nanotube (CNT) Diameters on the Performance of Carbon Nanotube Field Effect Transistor (CNTFET)

Devi Dass、Rakesh Vaid2013-01-01Invertis Journal of Science & Technology

Silicon-based technology has experienced phenomenal growth in the last few decades. Si MOSFET gives us higher performance when we reduced its dimensions but when it reaches its limiting size, various shortchannel effects appear to affect its performance. In that case the semiconductor industry is looking for different…

Carbon Nanotubes in CompositesAnalog and Mixed-Signal Circuit DesignAdvancements in Semiconductor Devices and Circuit Design

Reactivity of strained systems in alkyne cycloaddition reactions - synthesis of substituted cycloparaphenylenes

Anne‐Florence Tran‐Van2013-01-01edoc (University of Basel)

During the last decade, cycloparaphenylenes (CPPs) have attracted the attention of chemists. Indeed, this interesting class of molecules represents the shortest section of an armchair carbon nanotube, offering a potential template for the selective synthesis of carbon nanotubes. Cycloparaphenylenes are also interestin…

Carbon Nanotubes in CompositesSynthesis and Properties of Aromatic CompoundsCyclization and Aryne Chemistry

Deformasjon av trykksatte rørledninger

Espen R. Jakobsen2013-01-01BIBSYS Brage (BIBSYS (Norway))

Offshore pipelines may be subjected to impact by anchor and trawl gear. An anchor impact will drag the pipeline out of its position, before it is released and the pipe straightens, due to the rebound and large axialforces. Damage and fracture may occur due to the highly complex stress and strain history in the pipe.Th…

Structural Integrity and Reliability AnalysisNon-Destructive Testing TechniquesMaterial Properties and Failure Mechanisms