Principles of Nanotechnology

The following sections are included:

• Preface

• Contents

The following sections are included:

• Introduction

• The Importance of Nanoscale

• Atomic and Molecular Basis of Nanotechnology

• Some Recent Key Inventions and Discoveries
  • Scanning Tunneling Microscope
  • Atomic Force Microscope
  • Diamondoids
  • Buckyballs
  • Carbon Nanotubes
  • Cyclodextrins, Liposome and Monoclonal Antibody

• Ongoing Research and Development Activities

• Future Prospects in Nanoscience and Nanotechnology

• Conclusions and Discussion

• Some Important Related INTERNET Sites

• Bibliography

The following sections are included:

• Introduction

• Covalent and Noncovalent Interactions

• Interatomic and Intermolecular Potential Energies and Forces

• Experimental and Theoretical Development of Interparticle Potentials
  • Step (1): AFM Measurement and Empirical Modeling
  • Step (2): Theoretical Modeling
  • Step (3): Development of Nanoparticle Potentials

• Phenomenological Interatomic and Intermolecular Potentials
  • Interatomic Potentials for Metallic Systems
    • The Many-Body Embedded-Atom Model (EAM) Potentials
    • The Many-Body Finnis and Sinclair (FS) Potentials
    • The Many-Body Sutton and Chen (SC) Long-Range Potentials
    • The Many-Body Murrell–Mottram (MM) Potential
    • The Many-Body Rafii–Tabar and Sutton (RTS) Long-Range Alloy Potentials
    • Angular-Dependent Potentials
  • Interatomic Potentials for Covalently-Bonding Systems
    • The Tersoff Many-Body C–C, Si–Si and C–Si Potentials
    • The Brenner–Tersoff-Type First Generation Hydrocarbon Potentials
    • The Brenner–Tersoff-Type Second Generation Hydrocarbon Potentials
  • Interatomic Potential for C–C Non-Covalent Systems
    • The Lennard–Jones and Kihara Potentials
    • The exp-6 Potential
    • The Ruoff–Hickman Potential
  • Interatomic Potential for Metal–Carbon System
  • Atomic-Site Stress Field

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction
  • Thermodynamic Systems in Nanoscale
  • Energy, Heat and Work in Nanosystems

• Laws of Thermodynamics
  • The Zero^th Law
  • The First Law
  • The Second Law
  • The Third Law

• Statistical Mechanics of Small Systems

• Thermodynamics and Statistical Mechanics of Nonextensive Systems
  • Euler's Theorem of Homogenous Functions
  • Boltzmann and Boltzmann–Gibbs Formulae of Entropy
  • Tsallis Formula of Entropy
  • Microcanonical Ensemble for Nonextensive Systems
  • Canonical Ensemble for Nonextensive Systems

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction

• Generating Random Numbers
  • Generating Uniformly Distributed Random Numbers in [0,1)
  • Generating Random Numbers in [a,b) According to a Given Distribution Function P(x)

• Monte Carlo Integration Method
  • Applications to Nanosystems Composed of a Few Particles

• Equilibrium Statistical Mechanics and Monte Carlo Method
  • The Markov Process
  • Choice of the Transition Function
  • Example
  • Acceptance Ratios and Choice of the Moves
  • Other Tricks to Improve the Simulation Speed

• Application of Monte Carlo to Nonequilibrium Problems
  • The Langevin Equation
  • Interacting Systems

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction

• Principles of MD Simulation of Nanosystems

• Integration of Newton Equation of Motion

• MD Simulation of Systems in Contact with a Heat Bath: Thermostats

• Calculations Resulting from MD Simulations

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction

• Classification of Simulation Methods Based on Accuracy and Computational Time
  • Methods with the highest degree of accuracy (very CPU-intensive)
  • Methods with the second highest degree of accuracy
  • Semi-empirical methods
  • Stochastic methods

• Classification of Optimizations in Molecular Simulations
  • Local Optimization Methods
  • Global Optimization Methods

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction

• The Gibbs Phase Rule

• Phase Teansitions

• A Comparison of Phase Transitions Between Small and Large Systems

• Fragementation

• Experimental Observations of Phase Transitions in Small Systems
  • Evaporation of Water in a Sealed Nanotube
  • Micellization and Coacervation
  • An Example of Crystallization

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction

• Positional (or Robotic) Assembly

• Scanning Probe Microscopy
  • Topografiner
  • Quantum Mechanical Tunneling Effect
  • Piezoelectric Phenomena
  • Scanning Tunneling Microscope (STM)
  • Electronics Feedback Loop
  • Atomic Force Microscope (AFM)

• Applications of STM for Positional Assembly of Molecules

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction

• The Five Factors Responsible for Self-Assembly
  • The Role of Molecular Building Blocks (MBBs) in Self-Assembly
  • The Role of Intermolecular Interactions in Self-Assembly
  • Reversibility
  • Molecular Mobility
  • Process Medium

• Some Examples of Controlled Self-Assemblies
  • Self-Assembly Using Solid Surfaces – Immobilization Techniques
    • Affinity Coupling via Antibodies
    • Affinity Coupling by Biotin-Streptavidin (Bio-STV) System and Its Modification
    • Immobilized Metal Ion Complexation (IMIC)
    • Self-Assembled Monolayer (SAM)
      • Physical adsorption
      • Inclusion in polyelectrolytes or conducting polymers
      • Inclusion in SAM
      • Oriented Attachment to SAM
      • Direct site-specific attachment to gold
    • Strain Directed Self-Assembly
    • DNA Directed Self-Assembly
    • Self-Assembly on Silicon Surfaces
  • Self-Assembly in Fluid Media

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction

• Dynamic Combinatorial Library (DCL)

• Challenges and Limitations in Designing a DCL
  • The nature of DCL components and templates
  • The types of intermolecular interactions in DCL
  • Thermodynamic conditions
  • Methods of a DCL analysis

• Molecular Recognition

• Some Examples and Applications of DCL

• Host – Guest Chemistry

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Introduction

• Molecular Building Blocks

• Diamondoids
  • Some Physical and Chemical Properties of Diamondoid Molecules
  • Synthesis of Diamondoids
  • General Applications of Diamondoids
  • Application of Diamondoids as MBBs
  • Diamondoids for Drug Delivery and Drug Targeting
  • DNA Directed Assembly and DNA-Adamantane-Protein Nanostructures
  • Diamondoids for Host-Guest Chemistry

• Conclusions and Discussion

• Bibliography

The following sections are included:

• Glossary

• Index