Preface |
Introduction / Chapter 1: |
Interatomic Potentials / Chapter 2: |
Quantum Mechanical Treatment of the Many-Particle Problem / 2.1: |
Potential Energy Surface / 2.2: |
Pair Potential Approximation / 2.3: |
Advantages and Limitations of the Pair Potential Approximation / 2.4: |
Phenomenological Potentials / 2.5: |
Buckingham Potentials / 2.5.1: |
Morse Potentials / 2.5.2: |
Lennard-Jones Potentials / 2.5.3: |
Barker Potentials for Krypton and Xenon / 2.5.4: |
Pseudo Potentials / 2.6: |
Schommers Potential for Aluminium / 2.6.1: |
Many-Body Potentials / 2.7: |
Molecular Dynamics / Chapter 3: |
Models for Molecular Dynamics Calculations / 3.1: |
Initial Values / 3.1.1: |
Isothermal Equilibration / 3.1.2: |
Boundaries / 3.1.3: |
Nano-Design and Nano-Construction / 3.1.4: |
Visualization Techniques / 3.2: |
Solution of the Equations of Motion / 3.3: |
Verlet Algorithms / 3.3.1: |
Nordsieck/Gear Predictor-Corrector / 3.3.2: |
Assessment of the Integration Algorithms / 3.3.3: |
Other Methods / 3.3.4: |
Normalized Quantities / 3.3.5: |
Efficient Force Field Computation / 3.4: |
Force Derivation / 3.4.1: |
List Method / 3.4.2: |
Cell Algorithms / 3.4.3: |
SPSM Procedure / 3.4.4: |
Discussion / 3.4.5: |
Implementation / 3.5: |
Characterization of Nano-Systems / Chapter 4: |
Thermal Stability / 4.1: |
Basic Material Properties / 4.2: |
Wear at the Nanometer Level / 4.3: |
Mean Values and Correlation Functions / 4.4: |
Ensemble Theory / 4.4.1: |
Pair Correlation Function / 4.4.2: |
Mean-Square Displacement / 4.4.3: |
Velocity Auto-Correlation Function / 4.4.4: |
Generalized Phonon Density of States / 4.4.5: |
Structure Factor / 4.4.6: |
Additional Remarks / 4.4.7: |
Nano-Engineering--Studies and Conclusions / Chapter 5: |
Functional Nanostructures / 5.1: |
Nano-Machines / 5.2: |
Nano-Clusters / 5.3: |
Structural Examinations / 5.3.1: |
Dynamics of the Al[subscript 500] States / 5.3.2: |
Influence of the Initial Conditions / 5.3.3: |
Influence of the Initial Temperature / 5.3.4: |
Influence of the Crystalline Structure / 5.3.5: |
Influence of the Outer Shape and Cluster Size / 5.3.6: |
Influence of the Interaction Potential (Material) / 5.3.7: |
Conclusions / 5.3.8: |
Stimulated Nano-Cluster Transformations / 5.4: |
Analogy Considerations / 5.5: |
The Bifurcation Phenomenon at the Nanometer Scale / 5.6: |
Analogies to Biology / 5.7: |
Final Considerations / 5.8: |
Bibliography |
Index |
Preface |
Introduction / Chapter 1: |
Interatomic Potentials / Chapter 2: |