by Michael Rieth (AIFT, Karlsruhe, Germany)

Table of Contents (77k)
Preface (86k)
Chapter 1: Introduction (98k)

This important book provides a vivid introduction to the procedures, techniques, problems and difficulties of computational nano-engineering and design. The reader is given step by step the scientific background information, for an easy reconstruction of the explanations. The focus is laid on the molecular dynamics method, which is well suited for explaining the topic to the reader with just a basic knowledge of physics. Results and conclusions of detailed nano-engineering studies are presented in an instructive style. In summary, the book puts readers immediately in a position to take their first steps in the field of computational nano-engineering and design.

• Interatomic Potentials:
  • Quantum Mechanical Treatment of the Many-Particle Problem
  • Potential Energy Surface
  • Pair Potential Approximation
  • Advantages and Limitations of the Pair Potential Approximation
  • Phenomenological Potentials
  • Pseudo-Potentials
  • Many-Body Potentials
• Molecular Dynamics:
  • Models for Molecular Dynamics Calculations
  • Visualization Techniques
  • Solution of the Equations of Motion
  • Efficient Force Field Computation
  • Implementation
• Characterization of Nano-Systems:
  • Thermal Stability
  • Basic Material Properties
  • Wear at the Nanometer Level
  • Mean Values and Correlation Functions
• Nano-Engineering — Studies and Conclusions:
  • Functional Nanostructures
  • Nano-Machines
  • Nano-Clusters
  • Stimulated Nano-Cluster Transformations
  • Analogy Considerations
  • The Bifurcation Phenomenon at the Nanometer Scale
  • Analogies to Biology
  • Final Considerations