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Computer Modelling of Electronic and Atomic Processes in Solids: Proceedings of the NATO Advanced Research Workshop, Wroclaw, Poland, May 20-23 1996 [Hardback]

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Thirty-two proceedings papers from the May 1996 conference bringing together Eastern and Western scientists doing research in the areas of atomic and molecular processes, electronic structure and processes, and structure and properties. The presentations focus on computer models ranging from fundamental atomic, molecular and electronic structures and processes though macroscopic description of materials, including discussions of environmental effects, predictions of properties, correlations with experiments, and applications to space and electronics. Additionally, several featured presentations developed topics in fundamental theoretical models in materials science, molecular dynamics simulations, and an analysis of radiation processes in high-temperature superconductor structures based on computer simulations. Includes an appendix of workshop lectures and illustrations. Annotation c. by Book News, Inc., Portland, Or.
Preface ix(4) Acknowledgements xiii(1) Flow Chart xiv Atomic and Molecular Processes 1(158) (1) New Mechanisms of Radiation Defect Creation in Space Conditions 1(4) E.P. Britavskaya V.V Chislov V.I. Shakhovtsov I.G. Zakharchenko (2) Computer Simulation of Catalytic Systems 5(26) C.R.A. Catlow L. Ackermann R.G. Bell D.H. Gay S. Holt D.W. Lewis M.A. Nygren G. Sastre D.C. Sayle P.E. Sinclair (3) Application of Green-Function Method to Molecular Systems 31(12) P.W.M. Jacobs V.A. Telezhkin A.A. Ovodenko (4) Computer Simulation of HTSC Structures and Processes 43(8) V.V. Kirsanov E.I. Shamarina I.Yu. Yanov (5) Semi-Empirical Simulation of Radiation Defects in Oxide Materials 51(10) E.A. Kotomin (6) Cluster Model in Surface Science 61(8) V.V. Kovalchuk L.Yu. Kutsenko I.A. Polozovskaya G.D. Urum V.A. Yanchuk L. Zuniga (7) Modeling of Inhomogeneity in Solid Coatings Obtained from Water Suspensions 69(10) D.B. Lukatsky E. Rysiakiewicz-Pasek (8) Quantum Mechanical Simultions in Semiconductor Materials Science: The Tight-Binding Molecular Dynamics Approach 79(8) D. Maric L. Colombo (9) Molecular Dynamics Study of Polymer Liquid Crystal 87(10) A.I. Melker A.N. Efleev (10) Molecular Dynamics Study of Self-Organization and Compression of an Amorphous Polymer 97(10) A.I. Melker A.A. Ivanov S.N. Romanov (11) Modeling Non-Metal Surface Damage Created by Multiply-Charged Ions 107(8) E. Parilis (12) Modelling of Local Centres of Icosahedral Symmetry in Solids and Fullerenes 115(10) A.B. Roitsin A.A. Klimov L.V. Artamonov (13) Modelling Structure and Defects in Zeolites 125(12) A.A. Sokol C.R.A Catlow (14) The Nature of a Photoinduced Metastable State in -SI:H 137(6) F.T. Umarova Z.M. Khakimov 15 The Molecular Dynamics Simulation of Contact Melting: Four-Component Ionic Systems 143(6) V.S. Znamenski P.F. Zilberman I.N. Pavlenko (16) The Molecular Dynamics Simulation of Interactions in Shock-Compressed Systems 149(10) V.S. Znamenski P.F. Zilberman I.N. Pavlenko Electronic Structure and Processes 159(100) (17) Combined Density Functional and Configuration Interaction Method for the Electronic Structure of Solids with Impurities 159(14) I.V. Abarenkov (18) Configurations of Point Defects in Silicon Under Critical Concentrations 173(8) R.M. Balabay N.V. Grishchenko (19) Hybrid Quantum-Mechanical and Potential Models for Studies in Solids 181(12) A.H. Harker (20) Mechanisms of Destruction of Solid Surfaces Induced by Electron Excitations 193(10) A.E. Kiv (21) New Method of Computer Simulation of Defect Configurations in Semiconductors 203(10) Z.M. Khakimov F.T. Umarova (22) Computer Modelling of Dielectric Properties of Composite Materials 213(6) V.V. Novikov O.P. Poznansky (23) Simulation of Recombination Processes in Processes in Porous Silicon 219(12) Ya.O. Roizin V.A. Vorobyeva A.B. Korlyakov E. Rysiakiewicz-Pasek (24) Quantum Mechanical Modelling of Exciton and Hole Self-Trapping in Ionic Crystals 231(10) A.L. Shluger V.E. Puchin (25) Correlation between Electronic Structure and Atomic Configurations in Disordered Solids 241(18) Yu.N. Shunin K.K. Schwartz Structure and Properties 259(72) (26) Monte Carlo Computational Techniques for Prediction of Atomic Oxygen Erosion of Materials 259(12) B.A. Banks T.J. Stueber (27) Structural Models of Photosensitivity of Polycrystal Films 271(6) A.R. Gokhman V.N. Kadchenko Z.B. Polyak V.P. Rzepetskiy (28) Predictive Models of Erosion Processes in LEO Space Environment: A Basis for Development of an Engineering Software 277(12) J.I. Kleiman Z.A. Iskanderova Yu.I. Gudimenko V. Lemberg D. Talas R.C. Tennyson (29) Computer Simulation and Experimental Studies of Ion Implantation in Polymers for Erosion Resistance Improvement 289(12) Z.A. Iskanderova J. Kleiman Yu. Gudimenko G. Cool R.C. Tennyson (30) Computer Modelling of the Anomalous Ultrasound Attnuation in Glasses 301(8) E.P. Nikonova V.N. Solovjev (31) The Fractal Models of Defects Growth in Solids 309(12) M. Rybaczuk (32) Computer Model for M/OD Impact Damage Assesment on Spacecraft Materials 321(10) R.C. Tennyson G. Shortliffe Appendix A: Organizing Committees International Organizing Committee Local Organizing Committee 331(2) Appendix B: Workshop Lecturers 333(4) Index 337