Special Issue on Advances in Computational Materials Science and Engineering III
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概要
- 論文の詳細を見る
- 2004-05-20
著者
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KOHYAMA Masanori
Research Institute for Ubiquitous Energy Devices (UBIQEN)
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Kawazoe Yoshiyuki
Institute Of Materials Research Tohoku University
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Kawazoe Yoshiyuki
Institute For Material Research Tohoku University
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Kohyama Masanori
Research Institute For Ubiquitous Energy Devices National Institute Of Advanced Industrial Science A
関連論文
- Theoretical Investigation of Stable Structures of Ge_6 Clusters with Various Negative Charges
- All-Electron GW Calculation for Quasiparticle Energies in C_
- Stability of Copper Atoms Embedded in Sodium-Chloride Crystals
- GW Calculation of a Carbon Oxide Molecular Using an All-Electron Mixed-Basis Approach
- Anomalous Magnetic Moments of Mn_ and Mn_ Clusters
- Fullerene and Sulfur Compounds
- Hardness and Oxidation Resistance of Perovskite-type Solid Solution of the ScRh_3B-ScRh_3C System
- Quantum-Chemical Design of Covalent Linkages for Interconnecting Carbon Nanotubes
- Boron-Carbon Atomic Ratio Dependence on the Hardness and Oxidation Resistance of Solid Solutions of Perovskite-Type Borocarbide YRh_3B_xC_ (O ≦ x ≦ 1)
- R-Dependency of the Hardness Of Perovskite-Type RRh_3B Compounds (R = La, Gd, Lu and Sc) : Structure and Mechanical and Thermal Properties of Condensed Matter
- Structural, Electronic and Optical Properties of the Al_2O_3 Doped SiO_2 : First Principles Calculations
- 21aTR-14 Doping effect of Al_2O_3 on the SiO_2 crystal
- Factual Database on Amorphous Materials I(High-T_c Superconducting Materials Research)
- Research Tendency at IMR Extracted from KIND Materials Database(High-T_c Superconducting Materials Research)
- Integrated Materials Database System KIND(High-T_c Superconducting Materials Research)
- Rectangular Arrangement of Se-Ring Clusters on Graphite Surface and Their Structural Transformation
- Ab Initio Electronic Structure Calculation for Single-Component Molecular Conductor Au(tmdt)_2 (tmdt=Trimethylenetetrathiafulvalenedithiolate)(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Thermodynamic Properties of Transition Metals Using Face-Centered-Cubic Lattice Model with Renormalized Potentials
- Comparison between the Full Frequency Integration and the GPP Model in ab-initio GW Calculation of Na Clusters
- Weak Universality of a Site-Percolation Model With Two Different Sizes of Particles on a Square Lattice
- Multi-Valued Magnetic Recording Materials Predicted by Self-Organized Magnetization Dynamics
- Site-Percolation Models Including Heterogeneous Particles on a Square Lattice
- Dielectric Response Functions Studied by an All-Electron Mixed-Basis Approach
- Monte Carlo Simulation of Cu-Au Alloys on FCC Iattice with a Renormalized Potential
- Structure and Magnetism of Iron-Sulfur Clusters
- Lattice distortion and magnetism of Fe impurity in Cu and Ag
- Molecular Dynamics Study on Microstructure in Phase Separated Binary Lennard-Jones Liquid
- Surface Reconstruction of Si (001) by Genetic Algorithm and Simulated Annealing Method(STM-Si(001))
- Classical MD Simulation of C_ Adsorbed on GaAs(001) Surface
- Ab-initio Molecular Dynamics Simulation of Li Insertion in C_
- Tight-binding Molecular Dynamics Simulation of Fullerene Collision Processes
- Magnetism of Free and Embedded Rhodium Clusters
- Full-potential Mixed-basis Simulated Annealing Calculation of C_
- Classical MD Simulation and Ab-initio Mixed-basis Band Calculation of C_ Adsorbed on Si(100) Surface
- The Orientational Influence on the Electronic Structure of the Solid fcc C_
- Electronic Structures of Layered C_ and C_ on Si(100) Surface
- 30a-G-5 Classical Molecular Dynamics Simulation of C_ Molecules Adsorbed on Si(100) Surface
- Automatic Numerical Data Extraction from Graphical Data on Magnetic Materials(High-T_c Superconducting Materials Research)
- Dependence of Magnetism on Doping Concentration in V-Doped Bulk ZnO
- First-Principles Study of the Magic Ar_6Fe^+ Cluster
- First-Principles Calculation on Dissociation of Hydrogen Molecule in Nickel
- Effect of Magnetic Transition on Hydrogen Solubility in Ni
- Effect of Hydrogen on the Magnetism and Its Solubility in Ferromagnetic Nickel
- Atomic Structure of Pd-Intercalated Graphite by High-Resolution Electron Microscopy and First Principles Calculations
- Theoretical Study of Hydrogen Solubility in Fe, Co and Ni
- Quantum Monte Carlo Study of Electron Correlation in Chromium-Doped Silicon Cluster Cr@Si_
- Diffusion Monte Carlo Study of Atomic Systems from Li to Ne
- An Orbital-dependent Correlation Energy Functional in Density-functional Theory for the Study of Strongly-correlated Electronic Systems
- Atomic Structures and Magnetic Behavior of Small Ruthenium Clusters
- Hydrogen Interaction on Rhodium Clusters
- All-Electron Mixed-Basis Calculation of Structurally Optimized Titanium Nitride Clusters
- All-Electron Mixed-Basis Calculation to Optimize Structures of Vanadium Clusters
- Molecular Dynamics Study of Structural and Dynamical Properties of Zr_xNi_ (x=0〜100) Amorphous and Liquid Alloys
- Molecular Dynamics Simulation of Phase Separation in Lennard-Jones Liquids
- Molecular Dynamics Study for Structure and Dynamics of Amorphous and Liquid Zr_Ni_ Alloys
- Molecular Dynamics Simulation of Temperature Dependence of Dislocation Behavior in fcc Ni Single Crystal under Tensile Condition
- 23pRL-15 Understanding of influence on Au-electrode surface modification by thiol SAMs in organic thin-film transistors
- Structural Dependence of Magnetic Shielding Properties in Al_4Li_4 Clusters
- Electronic and Structural Properties of Organic Molecules inside Carbon Nanotube
- Electronic and Transport Properties of Ferrocene Molecule : Theoretical Study
- Electronic and Transport Properties of Molecular Wires : Theoretical Aspects for Realization of Nanoscale Interconnection
- Genetic Algorithm Approach to Functional Molecules for Nanoscale Devices
- Theoretical Study on Inclusion Complex of Polyaniline Covered by Cyclodextrins for Molecular Device
- Theoretical Study on Inclusion Complex of Polyaniline Covered by Cyclodextrins for Molecular Device
- Local Energy Gap in Deformed Carbon Nanotubes(Condensed Matter and Statistical Physics)
- Fractional Flux Periodicity in Tori Composed of Square Lattice(Condensed Matter and Statistical Physics)
- Orbital Correlation Effects in Transition Metal Microclusters
- A New Method to Calculate Critical Field and Magnetic Configuration in Multilayer System
- CBT Approach to Quantum Spin Systems
- High Temperature Ferromagnetism in Fe-Doped ZnO : a Density Functional Investigation
- Modeling the Self-Preservation Effect in Gas Hydrate/Ice Systems
- Ab-initio Molecular Dynamics Simulation of Water Clusters
- Hyperfine Fields and Electronic Structures in Fe/Co and Fe/Ni Multilayer Systems
- Magnetic Properties of Mn Doped Armchair Graphene Nanoribbon
- Prediction of Matrix-Precipitate Interfacial Free Energies : Application to Al-Al_3Li
- A new multipurpose character recognition system with easy operation (人文科学とコンピュータ)
- Magnetism and Chemical Interactions in Metallic Alloys
- Study of fcc and bcc Based Phases in the Al-Ag System
- Strong Correlation of Electrons in Mesoscopic Ring under Magnetic Field
- PREFACE
- Definition of Phases and Transitions among Them
- Effect of Strain on Alloying in InAs/GaAs Heterostructure
- Origin of the Blue Shift in Ultraviolet Absorption Spectra of Nanocrystalline CeO_ Particles
- Numerical Study on LiCaAlF_6 Czochralski Crystal Growth
- Band Structures of Perovskite-Like Fluorides for Vacuum-Ultraviolet-Transparent Lens Materials
- Structure Similarity of Mixed Buoyancy-Thermocapillary Flow in Half-Zone Liquid Bridge
- Controlling the Percolation Threshold of Conductor-Insulator Composites by Changing the Granular Size of Insulators
- Conductivity Percolation on a Square Lattice with Core-Shell Particles
- Conductivity Percolation on a Square Lattice with Two Different Sizes of Particles
- First-Principles Study of the Stability and Interfacial Bonding of Tilt and Twist Grain Boundaries in Al and Cu
- Electronic Structures of Ag and Au Adsorbed on TiO_2(110) Surfaces by First-Principles Calculations
- Effects of Segregated Ga on an Al Grain Boundary : A First-Principles Computational Tensile Test
- Special Issue on Advances in Computational Materials Science and Engineering III
- PREFACE
- First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6H-SiC{0001} Interfaces
- Ab Initio Electronic-Structure Calculations for α-(BEDT-TTF)_2I_3
- Study of Interaction between Au and TiO_2(110) at Low Coverage
- First-Principles Tensile Tests of Tilt and Twist Grain Boundaries in Al
- Ab Initio Electronic Structure Calculation for Single-Component Molecular Conductor Au(tmdt)_2 (tmdt=Trimethylenetetrathiafulvalenedithiolate)(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)