| Senior Editor's Preface |
| Theoretical Study of Lattice Vibration Effect on the Phase Stability of a Ⅲ-V Semiconductor Alloy T. Mohri and K. Nakamura 1 |
| APW Based Car-Parrinello Method and Frozen Phonon Calculation of Silicon T. Oguchi and T. Sasaki 9 |
| Open Orbits in High-Purity Aluminium H. Hosoda, Y. Ueda, Y. Deguchi and T. Kino 12 |
| A Quantum Operator of Force and its Applications M. Senoo, Y. Suzuki and S. Kotake 18 |
| Molecular Dynamics Study on the Dynamical Aspects of the Short-Range Order in a Liquid Metal M. Tanaka 25 |
| Breakdown Properties of Random Systems with Distributed Conductances K. Ohashi 33 |
| Monte-Carlo Simulation Study of Vacuum Deposition Process Y. Sasajima, T. Tsukida, S. Ozawa and R. Yamamoto 48 |
| Computer Simulation of Gold Microclusters T. Uchida, M. Matsui and M. Doyama 58 |
| Electrical Resistivities of Metallic Multilayers T. Kaneko, Y. Inoue and R. Yamamoto 66 |
| The Absorption Mechanism of Hydrogen on the Aluminum Surface S. Hayashi, E. Hashimoto, Y. Kawase and T. Kino 77 |
| Electronic States of Dislocations in Semiconductors K. Masuda-Jindo 86 |
| Computer Simulation of [010](010) Dislocations in Anthracene Crystals N. Ide, I. Okada and K. Kojima 98 |
| Temperature Effects on the Primary State of Displacement Cascade K. Morishita, T. Toyonaga, N. Sekimura and S. Ishino 110 |
| Calculations on Grain Boundary and Interface Fracture M. Mori and Y. Ishida 118 |
| Computer Simulation of Void Formation in Copper Y. Shimomura, R. Nishiguchi, T. Diaz de la Rubia and M. W. Guinan 122 |
| Computer Simulation of the Interaction between an Edge Dislocation and a Self-Interstitial Atom Related to a Bias Factor in Void Swelling E. Kuramoto and T. Tsutsumi 129 |
| Characterization of the Lamellar Structure in Ti-Rich TiAl Compounds by High-Resolution Electron Microscopy and Computer Image Simulation H. Inui and M. Yamaguchi 137 |
| Studies on the Materials Design and Structure of Glasses by Molecular Dynamics A. Makishima and H. Inoue 150 |
| An Electronic Approach to the Twin Deformation Process in TiAl J. Saito, M. Morinaga and H. Adachi 160 |
| An Electronic Approach to the Hydrogen Overpotential of Transition Metals and Alloys H. Ezaki, J. Saito and M. Morinaga 170 |
| Design of α+α2 High Temperature Titanium Alloys by the Aid of Thermodynamics H. Onodera, S. Nakazawa, K. Ohno, T. Yamagata and M. Yamazaki 182 |
| Numerical Analysis of Dissolution of αPhase in γ/α/γ Diffusion Couples of the Ternary Fe-Cr-Ni System M. Kajihara and M. Kikuchi 191 |
| Thermodynamic Databases for Alloy Phase Diagrams H. Ohtani, K. Ishida and T. Nishizawa 199 |
| Method for Calculation of Bonding Energies in Ternary Off-Stoichiometric Intermetallic Compounds to Predict their Defect Types, Site Preference, and Antiphase Boundary Energy H. Hosoda, Y. Mishima and T. Suzuki 205 |
| Granular Modeling and Simulation for Powder Compaction and Flowability Evaluation T. Aizawa, S. Tamura and J. Kihara 214 |
| The Mathematical Model of a Cold Crucible K. Iwai, M. Kuwabara, K. Sassa and S. Asai 228 |
| Microscopic Model of Porosity Formation during Solidification H. Yasuda and I. Ohnaka 239 |
| Design Automation in Multiple Criteria Problems Using Knowledge Engineering and Fuzzy Control G. Yagawa, S. Yoshimura and Y. Mochizuki 244 |
| Integration of Materials Data Systems for Materials Design H. Chen and S. Iwata 254 |
| Index of Contributors 262 |
| Senior Editor's Preface |
| Theoretical Study of Lattice Vibration Effect on the Phase Stability of a Ⅲ-V Semiconductor Alloy T. Mohri and K. Nakamura 1 |
| APW Based Car-Parrinello Method and Frozen Phonon Calculation of Silicon T. Oguchi and T. Sasaki 9 |
| Open Orbits in High-Purity Aluminium H. Hosoda, Y. Ueda, Y. Deguchi and T. Kino 12 |
| A Quantum Operator of Force and its Applications M. Senoo, Y. Suzuki and S. Kotake 18 |
| Molecular Dynamics Study on the Dynamical Aspects of the Short-Range Order in a Liquid Metal M. Tanaka 25 |
