Computer Aided Innovation of New Materials II

1st Edition

Proceedings of the Second International Conference and Exhibition on Computer Applications to Materials and Molecular Science and Engineering - CAMSE '92, Pacifico Yokohama, Yokohama, Japan, September 22-25, 1992



With advanced materials being in the midst of a widely acknowledged revolution, there is relentless pressure on scientists and engineers to be on the cutting edge of emerging theories and design methodologies. The 379 papers in this two part volume bring together the experience of specialists in the entire field of applications of Materials Science. This multidisciplinary meeting was held to bring together workers in a wide range of materials science and engineering activities who employ common analytical and experimental methods in their day to day work. The results of the meeting are of worldwide interest, and will help to stimulate future research and analysis in this area.

Table of Contents

(Abbreviated) Part 1. Symposia: A. Information Transfer and Integration. Knowledge discovery and knowledge probability distribution for the EPIOS spectroscopic KB-DSS (J.-E. Dubois). Problems in statistical treatment of materials life data (S. Nishijima, Y. Monma). B. Electronic Structure Theory for Materials Research. Ab initio simulations on parallel computers (M.C. Payne et al.). Theoretical study of organic magnetisms: Nitronyl nitroxide and related species (M. Okumura et al.). C. Molecular Dynamics and Monte Carlo Simulations. Molecular dynamics simulation of network glasses and algorithms on parallel [SIMD and MIMD] architectures (P. Vashishta et al.). Monte Carlo studies of compositional ordering in binary semiconductors (B. Dünweg, D.P. Landau). D. Lattice Defects and Disordered Materials: Atomistic Modeling and Atom Manipulation. Calculation of the properties of elementary atomic defects in metals (A. Seeger, M. Fähnle). Calculations of positron states in novel superconductors (S. Ishibashi et al.). E. Phase Diagrams. Calculation of phase diagrams for commercial aluminum alloys (L. Kaufman). Three-dimensional thermal calculation of phase change optical disks using internal energy (T. Ishizuka et al.). F. Quantum Chemistry. A quantum chemical reaction design for preparing uniform a-SiC films based on a Ab initio molecular orbital method (K. Sato et al.). Theoretical models for substituted C60 (N. Matsuzawa et al.). G. Molecular Mechanics. Toward a better understanding of covalent bonds (H.D. Thomas et al.). An efficient algorithm for finding low-energy conformations of chain molecules (E. Õsawa et al.). Part 2. H. Chemometrics and Chemical Pattern Recognition. The universal partial least squares, UNIPALS, algorithm for partial least squares, PLS, regression (W.J. Dunn III). Distortion free digita


© 1993
North Holland
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About the editors

Mana Tanaka

Affiliations and Expertise

Department of Mechanical Systems Engineering, Shinshu University, Nagano, Japan