Computer Simulation of Ion-Solid Interactions

ISBN-13: 9783642735158 / Angielski / Miękka / 2011 / 296 str.

Wolfgang Eckstein

Opis

In this book the author discusses the investigation of ion bombardment of solids by computer simulation, with the aim of demonstrating the usefulness of this approach to the problem of interactions of ions with solids. The various chapters present the basic physics behind the simulation programs, their structure and many applications to different topics. The two main streams, the binary collision model and the classical dynamics model, are discussed, as are interaction potentials and electronic energy losses. The main topics investigated are backscattering, sputtering and implantation for incident atomic particles with energies from the eV to the MeV range. An extensive overview of the literature is given, making this book of interest to the active reseacher as well to students entering the field.

Spis treści

1. Introduction.- 2. The Binary Collision Model.- 2.1 Laboratory System.- 2.2 Centre-of-Mass System.- 2.3 Relations Between Laboratory and Centre-of-Mass Systems.- 2.4 Energy Transfer.- 2.5 Classical Scattering Theory.- 2.6 Asymptotic Trajectories.- 2.7 Determination of the Scattering Angle and the Time Integral.- 2.8 Limitations of the Binary Collision Approximation.- 2.9 Limitations of the Classical Mechanics Treatment.- 3. Classical Dynamics Model.- 3.1 Newton’s Equations.- 3.2 Integration of Newton’s Equations.- 3.2.1 Central Difference Scheme.- 3.2.2 Average Force Method.- 3.2.3 Euler-Cauchy Scheme.- 3.2.4 Predictor-Corrector Scheme.- 3.2.5 The Verlet Scheme.- 3.2.6 Nordsieck Method.- 3.3 The Time Step, Bookkeeping.- 4. Interaction Potentials.- 4.1 Screened Coulomb Potentials.- 4.2 The Born-Mayer Potential.- 4.3 Attractive Potentials.- 4.4 Combined Potentials.- 4.5 Empirical Potentials.- 4.6 Embedded Atom Method.- 4.7 Analytical Methods.- 4.8 Comparison of Potentials.- 5. Inelastic Energy Loss.- 5.1 Local Electronic Energy Loss.- 5.2 Continuous Electronic Energy Loss.- 5.3 Comparison.- 6. Thermal Vibrations and Specific Energies.- 6.1 Thermal Vibrations.- 6.2 Specific Energies.- 6.2.1 Cutoff Energy.- 6.2.2 Displacement Energy.- 6.2.3 Bulk Binding Energy.- 6.2.4 Surface Binding Energy.- 7. Programs Based on the BCA Model.- 7.1 Random Target Structures.- 7.2 Monte Carlo Programs.- 7.3 Crystalline Targets.- 7.4 Lattice Programs.- 7.5 TRIM.SP and TRIDYN.- 7.5.1 TRIM.SP.- 7.5.2 TRIDYN.- 7.6 MARLOWE.- 8. Programs Based on the Classical Dynamics Model.- 8.1 Stable, Metastable and Quasi-Stable Programs.- 8.2 Classical Dynamics Programs.- 9. Trajectories.- 10. Ranges.- 10.1 Definitions.- 10.2 Literature.- 10.3 Examples.- 11. Backscattering.- 11.1 Definitions.- 11.2 Literature.- 11.3 Examples.- 12. Sputtering.- 12.1 Definitions.- 12.2 Negative Binomial Distribution.- 12.3 Literature.- 12.4 Examples.- 13. Radiation Damage.- 13.1 Definitions.- 13.2 Component Analysis.- 13.3 Fuzzy Clustering.- 13.4 Literature.- 13.5 Examples.- Abbreviations Used in the Tables.- Constants.- References.- Author Index.