Computer Aided Innovation of New Materials II. 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

Content: 
Inside Front Cover, Page ii
Front Matter, Page iii
Copyright, Page iv
The UNIveral PArtial Least Squares, UNIPALS, algorithm for Partial Least Squares, PLS, regression, Pages 867-869, William J. Dunn III
Analysis of structure-property relationships of light stabilizers using pattern recognition methods, Pages 871-874, S. Daiba, H. lizuka, K. Masuda, Y. Miyashita, O. Yaegashi, S. Sasaki
Pattern recognition approach to structure-insecticidal activity studies of pyridine derivatives using new graph invariants, Pages 875-878, K. Sumi, N. Kikkawa, T. Yorifuji, T. Uchidoi, Y. Kawahata, Y. Miyashita, O. Yaegashi, S. Sasaki
Partial least squares modelling of HMG-CoA reductase inhibitors, Pages 879-882, Y. Miyashita, Y. Shiraishi, K. Hasegawa, S. Sasaki
Distance Geometry Approach To Quantitative Structure-Activity Relationships of α-Chymotrypsin Inhibitors, Pages 883-886, K. Hasegawa, Y. Miyashita, S. Sasaki, N. Yokoo, K. Watanabe, M. Hirata
Application of the new chemometric system SPECTRE to quantitative structure-activity relationship (QSAR) in agricultural drug design, Pages 887-890, Hiroyuki Katsumi, Mototsugu Yoshida, Yasuo Kikuzono, Chiyozo Takayama, Mario Marsili
Partial least squares (PLS) analysis of C-13 chemical shift data, Pages 891-894, J.-I. Ishiyama, Y. Miyashita, S. Sasaki
Chemometrics as an aid in food research and development, Pages 895-899, Tetsuo Aishima
Applicability of Neural Network to the Estimation of Acid Strength of Binary Mixed Oxides, Pages 901-904, S. Kito, T. Hattori, Y. Murakami
The Effects of Molecular Width of Organic Solute on Membrane Permeability, Pages 905-908, Yoshiaki Kiso, Takane Kitao, Kiyokatsu Jinno, Morio Miyagi
Simplex optimization for separating overlapped model peaks involving peak area in DSC curves, Pages 909-912, Rimiko Uchida, Shuko Fujieda
APL-implemented compact and generalized program for fast Fourier and Hadamard transforms, Pages 913-916, Toshio Nishikawa
Different repression of σ70 -consensus-like sequences in coding regions between Escherichia coli and Bacteriophages genomes, Pages 917-920, Shigehiko Kanaya, Yoshihiro Kudo
Sequence specificity of translation initiation site in Eschrichia coli, Pages 921-924, Yoshihiro Kudo, Shigehiko Kanaya, Takuma Ishikawa
Estimation of the Structure of the Species from UV/V Absorption Spectra Using Factor Analysis and Molecular Orbital Calculations, Pages 925-930, Toru Ozeki, Hiroshi Morikawa, Hiroshi Kihara
CHEMOMETRICS AND SPECTROSCOPY - “PRACTICAL APPLICATIONS”, Pages 931-934, Kosei Oshima, Koichi Oka, Davar Pishva
The recursive optimal filtering estimation as a powerful chemometric technique, Pages 935-938, Zhiliang LI, Yoshikatsu MIYASHITA, Shin-ichi SASAKI
Distortion free digital filter for chromatography, Pages 939-940, Koji Yanagi
Neural network system for the identification of infrared spectra, Pages 943-948, Kazutoshi Tanabe, Hiroyuki Uesaka
PASEOS: Organic structure elucidation system for expert chemists, Pages 949-952, Yoshihiro Kudo
The Role of Mass Spectral Data Base - What we have to do -, Pages 953-956, Kogoro Maeda
The Beilstein Information System is not a Reaction Database, or is it?, Pages 957-962, C. Jochum
Models for the representation of knowledge about chemical reactions, Pages 963-966, J. Gasteiger
The FORTUNITS system for retrieving organic reactions based on imaginary transition structures, Pages 967-972, Shinsaku Fujita, Sohsuke Hanai, Masami Miyakawa, Masashi Takeuchi, Shoko Nakayama, Toshimasa Yasuda
Organic synthesis design system CASINO, Pages 973-978, Tadafumi Uchimaru, Kazutoshi Tanabe
Study of Reaction Path using Gradient Color Isoelectron Density Surface by means of CAChe Work System, Pages 979-982, George D. Purvis III, Shinich Negami
Shape-selective isopropylation of naphthalene over zeolite catalysts: a molecular graphics and molecular mechanics study, Pages 985-989, J.A. Horsley, J.D. Fellmann, E.G. Derouane, C.M. Freeman
Applications of Molecular Dynamics and Transition State Theory to the Simulation of Diffusion in Zeolites, Pages 991-996, A.T. Bell, D.N. Theodorou
Molecular graphics applied to the investigations of sorbates in zeolites, Pages 997-1002, Daniel P. Vercauteren, Laurence Leherte, Didier J. Vanderveken, Eric G. Derouane
An Overview of Recent Scientific Progress in the Catalysis and Sorption Project, Pages 1003-1006, J.M. Newsam, M.W. Deem, C.M. Freeman, A. Gorman, A. Ho, C.M. Kölmel, S.M. Levine, Y.S. Li, R.J. Lindsay, J. Ng, K.M. Roberts, R.F. Smith, R. Sorensen, L.L. Stockdale, R. Thomas, M.A. van Daelen, B. Vessal, J. Sauer, K-P. Schröder, R.G. Bell,  et al.
Simulation techniques for the design and characterization of structural and transport properties of mesoporous materials, Pages 1007-1012, Sebastian C. Reyes, Enrique Iglesia
Distributions of Al and Na ions in Na-ion-exchanged mordenites as investigated by molecular dynamics and computer graphics, Pages 1013-1016, Akira Miyamoto, Koji Kagawa, Momoji Kubo, Katsuhiko Matsuba, Tomoyuki Inui
Lattice constants of perovskite-type metal oxides as investigated by molecular dynamics and computer graphics, Pages 1017-1020, Akira Miyamoto, Kazufumi Matsubara, Takahiro Hattori, Momoji Kubo, Tomoyuki Inui
Deposition and sintering of ultrafine metal particles on metal oxide support as investigated by molecular dynamics and computer graphics, Pages 1021-1024, Akira Miyamoto, Takahiro Hattori, Momoji Kubo, Tomoyuki Inui
Role of zeolite framework in Cu-ion-exchanged zeolites for the decomposition of NO as investigated by molecular dynamics and computer graphics, Pages 1025-1028, Akira Miyamoto, Momoji Kubo, Katsuhiko Matsuba, Tomoyuki Inui
A quantum chemical study on the effect of sodium ions on the adsorbed state of ethylene on photo-excited V2O5/SiO2 catalysts, Pages 1029-1034, Y. Nishimura, S. Yoshida
Structural Studies of Catalytic Molecules via Local Density Functional Theory, Pages 1035-1038, J.E. Carpenter, G. Fitzgerald, R.A. Eades
Calculations of adsorbed states of CO on 3d transition metals, Pages 1039-1041, Hidekazu Takahashi, Keishi Negita, Mitsugu Yamanaka
Effect of Subsurface Chlorines on the Adsorption of Oxygen on Ag(110) Surface, Pages 1043-1046, Y.S. Li, J.M. Newsam
Catalytic Combustion of Methane–Experimental and Simulation Studies of the Effects of Catalyst Properties, Pages 1047-1052, Kwan Y. Lee, Masayuki Asami, Kei Ogasawara, Hiroki Kuwabara, Jun-ichiro Take, Noritaka Mizuno, Makoto Misono
Structural and reaction models for the design and optimization of catalytic sites, pellets, and reactors, Pages 1053-1060, Enrique Iglesia, Sebastian C. Reyes
Kinetic modeling and simulation on the synthesis of mixed alcohols over K/MoS2 catalyst, Pages 1061-1064, Tae Yun Park, Hee Chul Woo, In-Sik Nam, Young Gul Kim
Personal computer simulation package for the analysis of multi-reaction pathways in heterogeneous catalysis, Pages 1065-1068, H. Tanaka, M. Hakozaki, T. Kanno, B. Golman, M. Kobayashi
ESTRECAP___A GENERAL PROGRAM FOR COMPUTER-AIDED CATALYST PELLET DESIGN, Pages 1069-1072, Y.W. Li, Y.H. Sun, M.Y. Cheng, S.Y. Chen, S.Y. Peng
VISUALIZATION OF ACID-BASE NATURE OF CATALYSTS BY A COMPUTER AIDED METHOD, Pages 1073-1076, S. Tsuchiya
Computer-Aided Characterization of Heterogeneous Catalyst Structure, Pages 1077-1081, J.M. Newsam, C.M. Freeman, S.M. Levine, M.W. Deem
Visualization of pore-structure of porous materials by computer graphics, Pages 1083-1085, Y. Takasu, K. Naoi, M. Ueno, K. Yahikozawa
Simulation of Crystal Structure, Surface Geometry and Electron Diffraction using the Personal Computer (NEC - PC9801), Pages 1087-1090, Fumio NOGUCHI, Hiroshi MIURA, Takashi MITAMURA
H-Zeolites: Catalytic Materials for Chemical Reactions Studied by ESR and Computer Simulations, Pages 1091-1093, S. Shih
Knowledge-Base Approach to the Creation of Catalytic Reaction Mechanism, Pages 1095-1100, Z.-Y. Teng, S. Kito, T. Hattori, Y. Murakami, Y. Yoneda
The Role of Computation in Catalyst Design and Invention, Pages 1101-1106, Henry C. Foley, Eric E. Lowenthal, X.-D. Hu
ESYCAD - An Expert System for Catalyst Design, Pages 1107-1110, Erich Körting, Manfred Baerns
RESEARCH ON THE KNOWLEDGE ENGINEERING FOR CATALYST DESIGN, Pages 1111-1114, Y.H. Sun, Y.W. Li, S.Y. Chen, M.Y. Cheng, S.Y. Peng
3D DESIGN AND POTENCY FORECAST OF BIOLOGICALLY ACTIVE MOLECULES, Pages 1117-1120, Y.C. Martin, M.G. Bures, E.A. Danaher, J. DeLazzer, K.H. Kim, I. Lico, P.A. Pavlik
Fuzzy adaptive least-squares and its use in QSAR, Pages 1121-1126, Ikuo Moriguchi
QSAR studies on some congener sets of pharmacological interest using ALS method, Pages 1127-1130, Yutaka Kawashima
SUBSTRATE AND INHIBITOR BINDING TO PHOSPHOLIPASE A2- STRUCTURE, ENERGETICS AND DYNAMICS, Pages 1131-1134, Pnina Dauber-Osguthorpe, Richard B. Sessions, Malcolm M. Campbell, David J. Osguthorpe
Drug design based on an artificial intelligence approach, Pages 1135-1140, G. Klopman, O.-T. Macina
Design of Variance Maximized Sets of Analog Molecules in QSAR, Pages 1141-1145, Mario Marsili, Heinz Saller, H. Katsumi, Y. Kikuzono, M. Yoshida
Photochromic compounds: discrimination net analysis and molecular design, Pages 1147-1150, Takashi Okada, Kazumi Nakatsu, Yasunori Yoshioka
AUTOMATIC IDENTIFICATION OF RECEPTOR SITES IN PROTEINS. ELECTROPHYSICAL ANALYSIS OF LIGAND - RECEPTOR INTERACTIONS, Pages 1151-1154, C.A. Del Carpio, Y. Takahashi, S. Sasaki
Algorithm development in chemistry: The detection of common three-dimensional substructures in large sets of possibly flexible molecules, Pages 1155-1158, W.D. Ihlenfeldt, Y. Takahashi, H. Abe, S. Sasaki
Advanced Computer Applications in Protein Engineering, Pages 1161-1164, Toru Yao
Protein Sequence Analysis by Parallel Inference Machine, Pages 1165-1170, Katsumi Nitta
GRAPE: SPECIAL PURPOSE COMPUTER FOR SIMULATIONS OF MANY-BODY SYSTEMS, Pages 1171-1176, Toshikazu Ebisuzaki, Tomoyoshi Ito, Toshiyuki Fukushige, Junichiro Makino, Sachiko K. Okumura, Daiichiro Sugimoto, Eiri Hashimoto, Koumei Tomida, Nobuaki Miyakawa
VISUAL SIMULATION OF THE AMBER MOLECULAR DYNAMICS PROGRAM ON THE AP1000 HIGHLY PARALLEL COMPUTER, Pages 1177-1180, Hiroyuki Sato, Yasumasa Tanaka, Hiroshi Iwama, Shigetsugu Kawakika, Minoru Saito, Kenji Morikami, Toru Yao, Hideaki Yoshijima, Shigenobu Tsutsumi
Ab initio force field for simulations of proteins and nucleic acids: Application to molecular dynamics simulations in aqueous solution, Pages 1181-1184, M. Aida, G. Corongiu, E. Clementi
Molecular dynamics simulations of proteins in aqueous solution without the truncation of long-range Coulomb interactions, Pages 1185-1188, Minora saito
A MOLECULAR DYNAMICS STUDY ON COUNTER IONS AROUND PROTEINS, Pages 1189-1192, K. Morikami, M. Saito
Conformational dynamics of native proteins, Pages 1193-1198, Nobuhiro Gō
Refinement of Protein Dynamic Structure: Normal Mode Refinement, Pages 1199-1202, A. Kidera, M. Matsushima, N. Gō
Vibration analysis of transfer RNAs using normal mode calculation, Pages 1203-1206, Shugo Nakamura, Junta Doi
The Effect of Water on the Low Frequency Motions in BPTI, Pages 1207-1210, S. Hayward, A. Kitao, F. Hirata, N. Gō
The effects of solvent on the conformation and the collective motions of protein, Pages 1211-1214, Akio Kitao, Fumio Hirata, Nobuhiro Gō
Conformational deformation in deoxymyoglobin by hydrostatic pressure, Pages 1215-1218, T. Yamato, N. Gō
Self Interacting Random Chains, Pages 1219-1222, M. Fukugita, David Lancaster, M. Mitchard
Theoretical Calculations of Protein Folding, Pages 1223-1227, Harold A. Scheraga
Prediction of regions with well defined conformational preferences in proteins, and their relevance to protein folding, Pages 1229-1235, Marianne J. Rooman, Shoshana J. Wodak, Jean-Pierre Kocher
Folding simulation of BPTI and lysozyme by pearl necklace model, Pages 1237-1240, K. Tabuchi, M. Fumoto, T. Yasukawa, T. Akaike
Techniques for conformational searches of peptides and proteins, Pages 1241-1246, R.A. Abagyan, F. Eisenmenger, P. Argos
NH—H Perpendicular Interaction in Peptides and Proteins, Pages 1247-1250, H. Chuman
Classification of conformations of short peptide backbone fragments by principal component analysis and it\'s use to code protein backbone structures, Pages 1251-1254, K. Takahashi, N. Go
The most frequent SARFs (Spatial ARrangements of backbone Fragments) in protein structures, Pages 1255-1257, N. Alexandrov, N. Gō
Chaos- theoretical Analysis of Protein Structures, Pages 1259-1262, Yasushi KUBOTA, Masanori KATO, Kenji TAMAKAWA, Toshio HATTORI, Toshio MURAKAMI, Takashi UCHIYAMA, Takashi TSUCHIYA
Prediction of protein secondary structures by a neural network with a modular architecture and super-computer, Pages 1263-1266, Fumiyoshi Sasagawa, Koji Tajima
Method of prediction of tertiary structure of globular proteins using the exon information -Case of lysozyme-, Pages 1267-1270, Motonori Ota, Hiroyuki Kikkoji, Nobuhiko Saitô
Prediction of tertiary structure of protein by folding simulation using hydrophobic interaction, Pages 1271-1274, Ken Nishikawa, Hiroshi Iwama, Nobuhiko Saitô
Refolding of BPTI and its intermediates, Pages 1275-1278, Yukio Kobayashi, Hiroyuki Sasabe, Nobuhiko Saitô
BPTI FOLDING PROCESSES SIMULATED BY AN EXTENDED PEARL NECKLACE MODEL, Pages 1279-1282, M. Fumoto, T. Karasawa, K. Tabuchi, T. Yasukawa
Effects of Mutations on the Performance of Genetic Algorithms Suitable for Protein Folding Simulations, Pages 1283-1286, R. Unger, J. Moult
Model calculations on the amide-I infrared bands of globular proteins, Pages 1287-1290, Hajime Torii, Mitsuo Tasumi
Collective motions in proteins investigated by X-ray diffuse scattering, Pages 1291-1294, Kenji Mizuguchi, Nobuhiro Gō
Molecular Basis of Allosteric Activation of Bacterial L-Lactate Dehydrogenase, Pages 1295-1298, S. Iwata, T. Ohta
A COMPUTER SIMULATION OF THE PROTON TRANSFER PROCESS IN PHOTO IRRADIATED BACTERIORHODOPSIN, Pages 1299-1302, Hidemi Okazaki, Chia-Wun Chang, Toshihiro Akaike, Osamu Oshida, Tamio Yasukawa
Ab initio MO Calculations of the Chlorophyll Dimer in the Photosynthetic Reaction Center, Pages 1303-1306, T. Sakama, Japan T. Takada, H. Kashiwagi, H. Nakamura
Hydration and heat stability effects on protein unfolding, Pages 1307-1310, Motohisa Oobatake, Tatsuo Ooi
Hydrophobic energy estimation for bio-molecules using liquid statistical mechanics theory, Pages 1311-1314, Mitsunori Ikeguchi, Junta Doi
Computational analysis of site-directed mutants of mouse epidermal growth factor, Pages 1315-1318, Teikichi Ikura, Nobuhiro Go
De novo design and creation of artificial proteins, Pages 1319-1324, Haruki Nakamura, Toshiki Tanaka, Hiroyuki Anaguchi, Motohisa Oobatake, Eiichi Kitakuni
From the comparative analysis of proteins to homology-based modelling, Pages 1325-1329, Mark S. Johnson
A computer system for predicting membrane protein structure, Pages 1331-1334, Makiko SUWA, MITAKU Shigeki, Nobuhiko SAITO
Automatic modelling of supersecondary structure from amino acid sequence, Pages 1335-1338, K. Nagano
An automata network for sequence generation in de-novo design of proteins, Pages 1339-1342, Hidetoshi Kono, Junta Doi
Atomistic Simulations of Hydrogen Bonded Polyurethanes, Pages 1345-1348, Huai Sun
Molecular Dynamics Simulation of Polymer Wettability, Pages 1349-1352, Gianni P. Puglia
CRYSTAL SURFACE STRUCTURE OF THERMOPLASTIC POLYIMIDE: A POSSIBILITY OF CHAIN FOLDING, Pages 1353-1356, Naoki Kobayashi, Shigenori Maeda, Shin Hosonuma, Kazushi Ohshima
MICROTACTICITY AND UNPERTURBED DIMENSION OF POLYMERIC CHAIN: A POSSIBLE INTERPRETATION ON EFFECT OF “CHAIN-STIFFNESS” ON GLASS-TRANSITION TEMPERATURE, Pages 1357-1360, Shigenori Maeda, Shin Hosonuma, Kazushi Ohshima
A MOLECULAR MECHANICS STUDY OF PIEZOELECTRIC ACTIVITY OF VINYLIDENE CYANIDE COPOLYMERS, Pages 1361-1363, M. Sakurai, Y. Ohta, Y. Inoue, R. Chûjô
Energy calculation of poly(vinylalcohol) crystal structure and its hydrogen bond formation, Pages 1365-1368, H. Kusanagi, A. Ishimoto
The reorientation of side-groups of polymers during conformational state transition, Pages 1369-1372, X. Yang, L. He, B. An, D. Ma
Phase Transition Study of Liquid Crystalline Polymers by MD Simulations, Pages 1373-1378, Shinya Fukutomi, Ichiro Ichikawa, Mototsugu Yoshida, Akinobu Shiga
Penetrant diffusion and chain packing in bulk amorphous polymers: Molecular dynamics simulations, Pages 1379-1382, H. Takeuchi, T. Kasai, K. Okazaki
Simulations of networks and elastomeric properties, Pages 1383-1390, J.E. Mark
Structure and Electronic State of Polymer Chains in the Solid State as Studied by Tight-binding MO Calculation, Pages 1391-1395, Isao Ando
Electronic Structures of Simplified Polymeric Organosilicon Systems Containing π-Conjugated Moieties, Pages 1397-1400, Keizo Nakajima, Mayumi Okada, Kazuyoshi Tanaka, Tokio Yamabe, Mitsuo Ishikawa
Structure and Molecular Motion of Poly(ethylene oxide) in the Solid State as Studied by Quantum Chemistry and Solid State NMR, Pages 1401-1404, H. Kurosu, I. Ando
A quantum-chemical study of PVA crystal structure, Pages 1405-1408, Takahiro Ishii, Shigetoshi Amiya, Hiromichi Kurosu, Isao Ando
Sidechain conformation of α-helical poly(γ-benzyl L-glutamate) — Interpretation of experimental observation by MD simulation —, Pages 1409-1411, Akihiro Abe, Noritaka Kimura
COMPUTER SIMULATION FOR INJECTION AND BLOW MOLDING OF POLYMERS, Pages 1413-1418, Toyoki Tanaka, Ryo Nakano, Futoshi Tanaka
Simulation of Injection Molding Process for a Box-Shaped Part, Pages 1419-1422, Muneaki Mukuda, Shiro Takatani, Tetsuo Mitani
Numerical Simulation of a Concentrated Suspension of Rod-Like Particles in Shear Flow, Pages 1423-1426, Yuuichi Yamane, Yukio Kaneda, Masao Doi
Numerical analysis of electro-rheological effects under D.C. and A.C. electric fields, Pages 1427-1430, S. Yamamoto, T. Matsuoka
The effect of tacticity on the miscibility of polymer blends, Pages 1431-1434, J.D. Honeycutt
Relationship between Morphology and Mechanical Properties of Polymer Alloys by Digital Image Analysis (DIA), Pages 1435-1438, T. Hayashi, T. Miayamoto, T. Nishi
Cure mechanism of DGEBA/MDA/SN system, Pages 1439-1442, S.W. Cho, M.J. Shim, S.W. Kim
Elastic Modulus and Atomic Displacements of Skeleton and Side groups in Stretching of a Polymer Chain, Pages 1443-1446, A. Kurihara, H. Chuman, S. Enomoto
Electronic structure theory of alloy phase stability, Pages 1449-1456, P.E.A. Turchi, M. Sluiter
Bond order potentials and sum rules, Pages 1457-1462, M. Aoki, P. Gumbsch, D.G. Pettifor
Molecular-Dynamics Study of Crystal-to-Amorphous Phase Transformation, Pages 1463-1468, K. Kusunoki
Computer Simulation of the Development of Microstructure during Martensitic Transformations, Pages 1469-1474, J.W. Morris Jr., Ping Xu
Recent Progress in Alloy Design Based on a Molecular Orbital Method, Pages 1475-1480, M. Morinaga
VACANCY PROPERTIES OF ORDERED INTERMETALLIC ALLOYS IN THE Ni-A1 SYSTEM, Pages 1481-1484, H. Hosoda, T. Shinoda, Y. Mishima, T. Suzuki
Modelling physical metallurgy of steel products and its application to commercial processes, Pages 1485-1490, Atsuhiko Yoshie, Masaaki Fujioka
DEVELOPMENT OF HASTELLOY ALLOY XR FILLER METAL DESIGNED BY MULTIPLE REGRESSION ANALYSIS, Pages 1491-1494, Katsutoshi Watanabe, Kenshyo Sahira, Tamao Takatsu, Tsuneo Nakanishi, Makoto Higuchi, Hajime Nakajima
Thermodynamics Aided Design of Multicomponent High Temperature Titanium Alloys (Ti-Al-Sn-Zr-Nb-Si System), Pages 1495-1500, H. Onodera, S. Nakazawa, T. Abe, T. Tsujimoto, M. Yamazaki
Characterization of Image Data by Sensory Test, Pages 1501-1504, K. Hoshimoto, K. Kaneko, Y. Kurihara, M. Yamazaki, M. Fujita
Predicting mechanical properties of fiber reinforced thermoplastic parts, Pages 1507-1510, Y. Inoue, T. Matsuoka
Modelling of fibre network deformation during processing of continuous fibre reinforced polymer composites, Pages 1511-1514, C. Lekakou, M.G. Bader, J.D. Tonkin
Computational estimation of fracture toughness of whisker reinforced composites, Pages 1515-1518, M. Katagiri, A. Kumaki, Y. Izumi, H. Suzuki, H. Sekine
Finite Element Analysis of Implosion Strength of Double Wall CRA Pipe, Pages 1519-1522, T. Mimaki, Y. Kuriyama, N. Takada
Finite Element Analysis of Collapse Strength and Burst Strength of Double Walled CRA Pipe, Pages 1523-1526, Yukihisa KURIYAMA, Toshitaro MIMAKI
Theoretical calculation for deformation behavior of particle dispersed aluminum matrix composites, Pages 1527-1530, N. Kanetake, T. Choh
Improved expert system for materials design of glasses, Pages 1533-1538, A. MAKISHIMA, M. UO, H. INOUE
Material Design of Glasses Based on Database – INTERGLAD, Pages 1539-1544, Itaru YASUI, Futoshi UTSUNO
Reduction of thermal stresses in ceramics by shape optimization with CAO, Pages 1545-1548, F. Walther, C. Mattheck
A TRIAL TO CONSTRUCT AN EXPERT SYSTEM FOR THE FORMATION OF SPINEL-TYPE MIXED OXIDES, Pages 1549-1552, Kentaro Matsunaga, Itaru Yasui
Molecular Dynamics Study on the Ionic Diffusion Phenomena in SiO2-Na2O-K2O Glasses, Pages 1553-1556, H. Matsumoto, I. Yasui
Chemical State of Bi2O3-doped ZnO Varistors Studied by a DV-Xα Method, Pages 1557-1560, N. Ohashi, S. Tanaka, C. Akita, J. Kawai, H. Adachi, O. Fukunaga, J. Tanaka
Structure and Frequency Spectra of Silica Glass Simulated by Molecular Dynamics Method, Pages 1561-1564, H. Inoue, A. Makishima, Y. Akasaka, I. Yasui
Expert system for materials design of PTC thermistors, Pages 1565-1568, Toshiro Futagami, A. Makishima, I. Yasui, H. Monma, M. Mitomo, N. Mizutani
Material design of silicon nitride ceramics by electronic calculations, Pages 1569-1572, Isao TANAKA, Koichi NIIHARA, Saburo NASU, Hirohiko ADACHI
Modeling materials for microelectronics – The old and the new challenges, Pages 1575-1580, Sokrates T. Pantelides
First principles dynamical calculation for atomic diffusion in silicon, Pages 1581-1584, Koichi Kato
Physical Models for Rigorous Monte Carlo Simulation, Pages 1585-1590, K. Taniguchi, H. Mizuno, M. Morifuji, C. Hamaguchi
AN INVESTIGATION OF PARALLEL PROCESSING FOR MONTE CARLO SIMULATION, Pages 1591-1594, Masaaki TOMIZAWA, Tomoo FUKAZAWA, Tetsuo KOBAYASHI, Akira YOSHII
Nonlocality of Ionization Phenomena under Nonuniform Electric Fields: A Full-Band Monte Carlo Approach, Pages 1595-1598, Nobuyuki SANO, Masaaki TOMIZAWA, Akira YOSHII
Electronic Structures and Band Offsets of Hetero-Crystalline Superlattices, Pages 1599-1602, T. Nakayama, M. Murayama
Structural metastability in thin films on (001) zinc blende substrate, Pages 1603-1606, Tomonori Ito
Electronic Band Structure and Reflectivity of Strained Silicon, Pages 1607-1610, M. Morifuji, K. Taniguchi, C. Hamaguchi
Transport in Quantum Wires and Point Contacts: Numerical Study, Pages 1611-1616, T. Ando
CONDUCTANCE FLUCTUATIONS IN MESOSCOPIC QUANTUM WIRES AND COULOMB BLOCKADE IN ULTRA-SMALL TUNNEL JUNCTIONS, Pages 1617-1620, Shuichi IWABUCHI, Yosuke NAGAOKA, Hitoshi HIGURASHI
A COMPUTER SYSTEM FOR ANALYZING THE QUANTUM EFFECTS IN SEMICONDUCTOR HETEROSTRUCTURE, Pages 1621-1624, Hachiro ljuin, Kazuaki Hirai
VPE Growth of Highly-Uniform III-V Compound Semiconductor Epitaxial Film by Computer Application, Pages 1625-1628, M. Kaji, H. Yoshida, K. Takemoto, Y. Miura, A. Koukitu, H. Seki
Epitaxial Growth of III-V Compound Semiconductors by Metal Organic Chloride (MOC) Method, Pages 1629-1632, Y. Miura, M. Matsushima, K. Takemoto, T. Shirakawa, H. Yoshida, H. Kawauchi, M. Kaji, A. Koukitu, H. Seki
Process simulation for the MOMBE (metalorganic molecular beam epitaxy) growth, Pages 1633-1636, Hajime Asahi, Tadaaki Kaneko, Yasutoshi Okuno, Shun-ichi Gonda
Monte Carlo simulation of step coverage by the sputtering method, Pages 1637-1640, K. Nanbu, T. Honda
Influence of oxide or interface states at the metal-semiconductor contact on the short wavelength quantum efficiency of a-Si:H Schottky barrier solar cells, Pages 1641-1644, Parsathi Chatterjee
Photovoltaic performance of a-Si:H solar cells : a computer simulation study, Pages 1645-1648, Parsathi Chatterjee
Data Acquisition, Analysis and Simulation of Micro–Indentations, Pages 1651-1654, A. Bendeli, T.J. Bell, J.S. Field, M.V. Swain
High-pressure shock compression processing of Nickel-Aluminides, Pages 1655-1660, Naresh N. Thadhani
Hybrid experimental-numerical analysis in fracture mechanics, Pages 1661-1665, C.-T. Yu, A.S. Kobayashi, N.M. Hawkins
A Numerical Method of Assessing a Crack in Elastoplastic Material Inhomogeneity, Pages 1667-1670, M. Nakagaki, K. Shibahara, Y. Hirata
A large finite element analysis based on domain decomposition method on a massively parallel computer, Pages 1671-1674, Genki Yagawa, Shinobu Yoshimura, Ryuji Shioya
Fracture assessment of functionally gradient material under thermal shock load, Pages 1675-1678, M. Nakagaki, T. Inaba, M. Matsukawa
Numerical analysis of panel stiffness based on crystal anisotropy, Pages 1679-1682, S. Hiwatashi, T. Hatakeyama, K. Ushioda, M. Usuda, S. Nagashima
NUMERICAL ANALYSIS OF TRANSPORT PHENOMENA IN A TUNNEL FURNACE, Pages 1683-1686, M. TANI, I. SAWADA
NUMERICAL ANALYSIS ON TEMPERATURE AND FLOW FIELD IN THE LARGE SCALE ATRIUM, Pages 1687-1690, T. Saito, S. Ohgaki, Y. Sonda, Y. Ozeki
Numerical modelling of electromagnetic processing, Pages 1693-1696, M. Garnier
Some aspects of magnetohydrodynamics in the processing of liquid metals, Pages 1697-1702, J.W. Evans, S. Nishioka, Deepak, D. Cook
EFFECT OF A LEVEL DC MAGNETIC FIELD ON THE LIQUID METAL FLOW IN THE CONTINUOS CASTING MOLD, Pages 1703-1706, Hiroshi Harada, Masafumi Zeze, Eiichi Takeuchi, Takanobu Ishii
Simulation of fluid flow in a gas-injected system of steelmaking process, Pages 1707-1712, A. Kikuchi
Inverse modelling for the continuous casting process - notion and utilization, Pages 1713-1718, J.R. Boehmer, F.N. Fett
Solute Distribution in the Liquid Phase with Dendritic Solidification, Pages 1719-1722, Takateru Umeda, Toshiaki Himemiya, Wilfried Kurz
Mathematical analyses of microsegregation and secondary precipitation during solification of steels, Pages 1723-1728, T. Matsumiya, W. Yamada, T. Koseki
Simulation of Weld Metal Microstructure and Properties, Pages 1729-1734, H.K.D.H. Bhadeshia
HEAT TRANSFER ANALYSIS OF AMORPHOUS ALLOY RIBBON FORMATION IN SINGLE ROLL CASTING METHOD, Pages 1735-1738, Keiji IWATA, Takashi SATO, Toshio YAMADA, Tsutomu OZAWA
Origin of periodic temperature fluctuations in CZ silicon melt, Pages 1739-1742, M. Tanaka, H. Esaka, Y. Kishida
ANALYSIS OF POLYMER FLOW IN CYLINDER OF INJECTION MOLDING MACHINE, Pages 1743-1746, Yukio Tada, Masaru Okamoto
Microscopic modelling of non-uniform shrinkage in sintering by FEM, Pages 1747-1750, Kazunari Shinagawa, Kozo Osakada, Ken-ichiro Mori
Process Simulation and Exergy Analysis for Ironmaking Systems, Pages 1751-1755, Jun-ichiro Yagi
Structural analysis of iron ore sinter with computerized tomographic scanner and evaluation of sintering state, Pages 1757-1760, T. Inazumi, S. Kasama
Numerical analysis of flow and reaction in the raceway region of blast furnace, Pages 1761-1764, Takashi Sugiyama, Akihiko Shinotake, Shinroku Matsuzaki
MICROHARDNESS ANISOTROPY OF SINGLE - CRYSTAL YAG, Y3Al5O12, Pages 1765-1768, Koitsu Hirota, Richard C. Bradt
Thermal stress analyses of bulk single crystals during Czochralski growth (Anisotropic effects in various single crystals), Pages 1769-1772, N. Miyazaki, H. Uchida, T. Munakata, T. Fukuda
COMPUTER SIMULATION OF GRAIN GROWTH IN THREE DIMENSIONS, Pages 1773-1776, Yoshimasa Taka