Computer Modelling of Electronic and Atomic Processes in Solids

Preface. Flow Chart. Atomic and Molecular Processes. 1. New Mechanisms of Radiation Defect Creation in Space Conditions; E.P. Britavskaya, et al. 2. Computer Simulation of Catalytic Systems; M.A. Nygren, et al. 3. Application of Green-Function Method to Molecular Systems; P.W.M. Jacobs, et al. 4. Computer Simulation of HTSC Structures and Processes; V.V. Kirsanov, et al. 5. Semi-Empirical Simulation of Radiation Defects in Oxide Materials; E. Kotomin. 6. Cluster Model in Surface Science; V.V. Kovalchuk, et al. 7. Modelling of Inhomogeneity in Solid Coatings Obtained from Water Suspensions; D.B. Lukatsky, E. Rysiakiewicz-Pasek. 8. Quantum Mechanical Simulations in Semiconductor Materials Science: The Tight Binding Molecular Dynamics Approach; D. Maric, L. Colombo. 9. Molecular Dynamics Study of Self-Organization of Polymer Liquid Crystals; A.I. Melker, A.N. Efleev. 10. Molecular Dynamics Study of Self-Organization and Compression of an Amorphous Polymer; A.I. Melker, et al. 11. Modelling Nonmetal Surface Damage Created by Multiply-Charged Ions; E. Parilis. 12. Modelling of Local Centres of Icosahedral Symmetry in Solids and Fullerenes; A.B. Roitsin, et al. 13. Modelling Structure and Defects in Zeolites; A.A. Sokol, C.R.A. Catlow. 14. The Nature of a Photo-Induced Metastable State in SI: H; F.T. Umarova, Z.M. Khakimov. 15. The Molecular Dynamics Simulation of Contact Melting: Four-Component Ionic Systems; V.S. Znamenski, I.N. Pavlenko. Electronic Structure and Processes. 16. The Molecular Dynamics Simulationof Interactions in Shock-Compressed Systems; V.S. Znamenski, et al. Electronic Structure and Processes. 17. Combined Density Functional and Configurational Interaction Method for the Electronic Structure of Solids with Impurities; I.V. Abarenkov. 18. Configurations of Point Defects in Silicon Under Critical Concentrations; R.M. Balabay, N.V. Grishchenko. 19. Hybrid Quantum-Mechanical and Potential Models for Studies in Solids; A.H. Harker. 20. Mechanisms of Destruction of Solid Surfaces Induced by Electron Excitations; E.A. Kiv. 21. New Method of Computer Simulation of Defect Configurations in Semiconductors; Z.M. Khakimov, F.T. Umarova. 22. Computer Modelling of Dielectric Properties of Composite Materials; V.V. Novikov, O.P. Poznansky. 23. Simulation of Recombination Processes in Porous Silicon; Ya.O. Roizin, et al. 24. Quantum Mechanical Modelling of Exciton and Hole Self-Trapping in Ionic Crystals; A.L. Shluger, V.E. Puchin. 25. Correlation Between Electronic Structure and Atomic Configurations in Disordered Solids; Yu.N. Shunin, K.K. Schwartz. Structure and Properties. 26. Monte Carlo Computational Techniques for Prediction of Atomic Oxygen Erosion of Materials; B.A. Banks, T.J. Stueber. 27. Structural Models of Photosensitivity of Polycrystal Films; A. Gokhman, et al. 28. Predictive Models of Erosion Processes in LEO Space Environment: A Basis for Development of an Engineering Software; J.I. Kleiman, et al. 29. Computer Simulations and Experimental Studies of Ion Implantation in Polymers for Erosion Resistance Improvement; Z.A. Iskanderova, et