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Tuning LDA+U for electron localization and structure at oxygen vacancies in ceria

C. W. M. Castleton、Jolla Kullgren、Kersti Hermansson2007-12-26OpenAlex

We examine the real space structure and the electronic structure (particularly Ce4f electron localization) of oxygen vacancies in CeO(2) (ceria) as a function of U in density functional theory studies with the rotationally invariant forms of the LDA+U and GGA+U functionals. The four nearest neighbor Ce ions always rel…

Catalytic Processes in Materials ScienceRadioactive element chemistry and processingElectronic and Structural Properties of Oxides

Recent developments in chemical modification and characterization of natural fiber‐reinforced composites

Maya Jacob John、Rajesh D. Anandjiwala2007-12-26OpenAlex

Abstract A critical review of the literature on the various aspects of natural fibers and biocomposites with a particular reference to chemical modifications is presented in this paper. A notable disadvantage of natural fibers is their polarity which makes it incompatible with hydrophobic matrix. This incompatibility…

Polymer Nanocomposites and PropertiesNatural Fiber Reinforced CompositesFiber-reinforced polymer composites

Reaction between Magnesia–Chrome Brick/Slag Interface by Electric Furnace Static Slag Corrosion Test

Min‐Hsiung Hon、Chia-Chan Hsu、Moo-Chin Wang2007-12-25MATERIALS TRANSACTIONS

Reaction of magnesia-chrome (MgO-Cr2O3) brick with molten MgO-Al2O3-SiO2-CaO-FetO slag using electric furnace static corrosion test method was investigated by X-ray diffraction (XRD), optical polarized microscopy (OPM), scanning electron microscopy (SEM), energy dispersive spectrometry (EDS), scanning transmission ele…

Advanced ceramic materials synthesisMetallurgical Processes and ThermodynamicsMagnesium Oxide Properties and Applications

Globularization Behavior of ELI Grade Ti-6Al-4V Alloy during Non-Isothermal Multi-Step Forging

Jin Young Kim、Kyung‐Tae Park、In Ok Shim 等 4 位作者2007-12-25MATERIALS TRANSACTIONS

The globularization behavior of ELI grade Ti-6Al-4V alloy having different initial lamellar structures during multi-step forging under non-isothermal condition was investigated. The samples with either a thin or thick lamellar structure, which were produced from β annealing followed by different cooling conditions, we…

Intermetallics and Advanced Alloy PropertiesMetallurgy and Material FormingTitanium Alloys Microstructure and Properties

Dielectric Property of Polycrystalline ZrO<SUB>2</SUB> Substituted BaTi<SUB>2</SUB>O<SUB>5</SUB> Prepared by Arc-Melting

Xinyan Yue、Rong Tu、Takashi Goto2007-12-25MATERIALS TRANSACTIONS

ZrO2 substituted polycrystalline BaTi2O5, Ba(Ti1−yZry)2O5, (BT2Z), was prepared by arc-melting and the dielectric property was investigated by AC impedance spectroscopy. The length of a-axis increased from 1.6895 to 1.6952 nm and that of c-axis increased from 0.9411 to 0.9436 nm with increasing y up to 0.06. The b-axi…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisDielectric properties of ceramics

Theoretical Search of Spintronic Material in Fe<SUB>2</SUB>(Cr<SUB>1&minus;<I>x</I></SUB>Mn<I><SUB>x</SUB></I>)Si and (Fe<SUB>1&minus;<I>x</I></SUB>Co<I><SUB>x</SUB></I>)<SUB>2</SUB>MnSi

Shoji Ishida、Daisuke Nagatomo、Sinpei Fujii 等 4 位作者2007-12-25MATERIALS TRANSACTIONS

Materials suitable for spintronic devices are searched in two systems Fe2(Cr1−xMnx)Si and (Fe1−xCox)2MnSi. The desired characteristics are: high spin polarization, stability of ferromagnetism and high Curie temperature. The first is investigated by considering the density of states and the velocity at the Fermi energy…

Rare-earth and actinide compoundsIntermetallics and Advanced Alloy PropertiesHeusler alloys: electronic and magnetic properties

Microstructural Evolution and Mechanical Properties of High Purity Aluminium Processed by Equal-Channel Angular Pressing

Jiří Dvořák、Václav Sklenička、Zenji Horita2007-12-25MATERIALS TRANSACTIONS

High purity (99.999%) aluminium was subjected to Equal-Channel Angular Pressing (ECAP) at room temperature for up to 8 passes through route BC using a die having a channel angle of 90°. Hardness measurements and tensile tests were conducted at room temperature with respect to the number of ECAP passes. It is shown tha…

Microstructure and mechanical propertiesAluminum Alloy Microstructure PropertiesAluminum Alloys Composites Properties

Effects of Manganese and/or Carbon on the Grain Refinement of Mg-3Al Alloy

Jun Du、Jian Yang、Mamoru Kuwabara 等 5 位作者2007-12-25MATERIALS TRANSACTIONS

The effects of manganese and/or carbon on the grain refinement of Mg-3Al alloy have been investigated in the present study. Significant grain refinement was obtained for the Mg-3Al alloy modified with either carbon or Al-Mn master alloy. There existed an optimal content of 0.1∼0.2 mass%Mn to obtain refining grain size…

Magnesium Alloys: Properties and ApplicationsAluminum Alloy Microstructure PropertiesAluminum Alloys Composites Properties

Change in Magnetic Property of Cu-6.5 mass%Co Alloy through Processing by ECAP

Kenichiro Suehiro、Shunichi Nishimura、Zenji Horita2007-12-25MATERIALS TRANSACTIONS

A Cu-6.5 mass%Co alloy containing a fine dispersion of ferromagnetic Co precipitates in the Cu matrix is processed by ECAP and measurements of coercivity are carried out after ECAP with different numbers of passes and different processing routes. Changes in particle size and shape including crystal structures are exam…

Magnetic properties of thin filmsMicrostructure and mechanical propertiesMagnetic Properties and Applications

Wear and Mechanical Properties, and Cell Viability of Gas-Nitrided Beta-Type Ti-Nb-Ta-Zr System Alloy for Biomedical Applications

Toshikazu Akahori、Mitsuo Niinomi、Masaaki Nakai 等 7 位作者2007-12-25MATERIALS TRANSACTIONS

Frictional wear resistance is one of the important properties of metallic biomaterials. Surface hardening treatments such as oxidizing, nitriding and ion implantation tend to be applied for improving the wear resistance of titanium and its alloys. The simple gas nitriding process is expected to further improve the wea…

Metal and Thin Film MechanicsOrthopaedic implants and arthroplastyTitanium Alloys Microstructure and Properties

Fatigue Crack Propagation Behavior in Commercial Purity Ti Severely Deformed by Accumulative Roll Bonding Process

Hiromoto Kitahara、Kosuke Uchikado、Jun-ichi Makino 等 8 位作者2007-12-25MATERIALS TRANSACTIONS

Fatigue properties of commercial purity titanium sheets severely deformed by the accumulative roll bonding (ARB) process were investigated. The ARB process was carried out up to 6 cycles (equivalent strain, εeq.=4.8). The sheets ARB processed by 2-, 4- and 6-cycle consist of fine equiaxed grains and elongated lamellar…

Microstructure and mechanical propertiesMetal Forming Simulation TechniquesAluminum Alloys Composites Properties

Grain Boundary Structure of Ultrafine Grained Pure Copper Fabricated by Accumulative Roll Bonding

Ken‐ichi Ikeda、K. Yamada、Naoki Takata 等 6 位作者2007-12-25MATERIALS TRANSACTIONS

Grain boundary structures of ultrafine grained pure copper (Cu) fabricated by the accumulative roll bonding (ARB) have been studied. The atomic structures of grain boundaries in the ARB processed Cu (ARB-Cu) were observed by high resolution electron microscopy. In order to compare the grain boundaries in the ARB-Cu wi…

Microstructure and mechanical propertiesMetal Forming Simulation TechniquesAluminum Alloys Composites Properties

The Structure of Guinier-Preston Zones in an Mg-2 at%Gd-1 at%Zn Alloy Studied by Transmission Electron Microscopy

Masahiko Nishijima、Kenji Hiraga、Michiaki Yamasaki 等 4 位作者2007-12-25MATERIALS TRANSACTIONS

Planar Guinier-Preston zones (GP-zones) parallel to a basal plane of an Mg hexagonal lattice are found together with β′ and β1 precipitates, which have been found in Mg-Gd alloys, in an Mg-2 at%Gd-1 at%Zn (Mg97Gd2Zn1) alloy aged at 200°C for 150 hrs. From the combination of high-resolution transmission electron micros…

Magnesium Alloys: Properties and ApplicationsAluminum Alloys Composites PropertiesHydrogen Storage and Materials

Fracture Toughness Enhanced by Grain Boundary Shielding in Submicron-Grained Low Carbon Steel

Masaki Tanaka、Naoki Fujimoto、Kenji Higashida2007-12-25MATERIALS TRANSACTIONS

The enhancement of toughness at low temperatures in fine grained low carbon steel was studied, basing on a shielding theory due to dislocations and grain boundaries. Fully annealed low carbon steel was subjected to an accumulative roll bonding (ARB) process for grain refining. The grain size perpendicular to the norma…

Microstructure and mechanical propertiesMicrostructure and Mechanical Properties of SteelsMetal Alloys Wear and Properties

Assessment of Strain Energy by Measuring Dislocation Density in Copper and Aluminium Prepared by ECAP and ARB

Yoshinori Murata、Ippei Nakaya、Masahiko Morinaga2007-12-25MATERIALS TRANSACTIONS

In order to estimate the strain energies of pure Cu and pure Al prepared by ECAP and ARB processes, dislocation densities remaining in these metals after each process were analyzed by the Warren-Abervach method based on the Williamson-Hall plot from a series of data taken by conventional X-ray diffractometry. The meas…

Microstructure and mechanical propertiesMicrostructure and Mechanical Properties of SteelsFusion materials and technologies

A Portrait of Copper Processed by Equal Channel Angular Pressing

Ralph Jörg Hellmig、Milo scaron Janecek、Branislav Hadzima 等 8 位作者2007-12-25MATERIALS TRANSACTIONS

Copper is one of the most important materials used for electrical connectors with a high thermal and electricial conductivity, and there is an ongoing demand to improve its mechanical properties without sacrificing other beneficial properties. A possible approach to achieving this aim is to use the method of severe pl…

Microstructure and mechanical propertiesAluminum Alloys Composites PropertiesAdvanced Welding Techniques Analysis

Evolution of Microstructure and Hardness in Pure Al by Twist Extrusion

Dmytro Orlov、Yan Beygelzimer、Sergey Synkov 等 5 位作者2007-12-25MATERIALS TRANSACTIONS

High purity Al (99.99%) is subjected to severe plastic deformation (SPD) at room temperature using a process of twist extrusion (TE). The microstructure evolution and the related change in microhardness are examined with respect to imposed strain. It is shown that subgrains develop after the first TE pass with a size…

Microstructure and mechanical propertiesMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites Properties

Enhanced Mechanical Properties of Nano/Meso Hybrid Structure Materials Produced by Hot Roll Sintering Process

Hiroshi Fujiwara、Ryota Akada、Atsushi Noro 等 5 位作者2007-12-25MATERIALS TRANSACTIONS

SUS316L stainless steel and commercially pure titanium powders are processed by Mechanical Milling (MM) which is one of Severe Plastic Deformation (SPD) process. These MM powders are sintered by Hot Roll Sintering (HRS) process. Microstructure of materials produced by HRS process consists of a shell and core hybrid mi…

Microstructure and mechanical propertiesAluminum Alloys Composites PropertiesPowder Metallurgy Techniques and Materials

Change in Mechanical Properties and Microstructure of ARB Processed Ti during Annealing

Daisuke Terada、Masaya Inoue、Hiromoto Kitahara 等 4 位作者2007-12-25MATERIALS TRANSACTIONS

Ultrafine grained commercial purity titanium (CP-Ti) was fabricated by accumulative roll-bonding (ARB) process up to 6 cycles at ambient temperature. The microstructure was composed of the equiaxed grain structure having a mean grain size of 90 nm and the lamellar boundary structure having a mean lamellar spacing of 7…

Microstructure and mechanical propertiesAluminum Alloys Composites PropertiesMetallurgy and Material Forming

Grain Boundary Sliding in a Superplastic Zinc-Aluminum Alloy Processed Using Severe Plastic Deformation

Megumi Kawasaki、Terence G. Langdon2007-12-25MATERIALS TRANSACTIONS

A Zn-22% Al eutectoid alloy was processed by Equal-Channel Angular Processing (ECAP) to produce a grain size of ∼0.8 μm. Tensile testing at 473 K gave a maximum elongation of ∼2230% at a strain rate of 1.0×10−2 s−1. The significance of grain boundary sliding was evaluated by taking measurements of offsets in surface m…

Microstructure and mechanical propertiesAluminum Alloys Composites PropertiesMetallurgy and Material Forming