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Table Of Contents

Introduction
The Importance of Nanoscale
Atomic and Molecular Basis of Nanotechnology
Some Recent Key Inventions and Discoveries
Ongoing Research and Development Activities
Future Prospects in Nanoscience and Nanotechnology
Conclusions and Discussion
Some Important Related INTERNET Sites
Bibliography
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
1. Interatomic Potentials for Metallic Systems
2. Interatomic Potentials for Covalently-Bonding Systems
3. Interatomic Potential for C–C Non-Covalent Systems
4. Interatomic Potential for Metal–Carbon System
5. Atomic-Site Stress Field
Thermodynamic Systems in Nanoscale
Energy, Heat and Work in Nanosystems
Laws of Thermodynamics
The First Law
The Second Law
The Third Law
Statistical Mechanics of Small 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
Generating Uniformly Distributed Random Numbers in [0,1)
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
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
Methods with the second highest degree of accuracy
Semi-empirical methods
Stochastic methods
B. Classification ofOptimizations in Molecular Simulations
Experimental Observations of Phase Transitions in Small Systems
1. Evaporation of Water in a Sealed Nanotube
3. An Example of Crystallization
Positional (or Robotic) Assembly
Scanning Probe Microscopy
1. Topografiner
2. Quantum Mechanical Tunneling Effect
3. Piezoelectric Phenomena
4. Scanning Tunneling Microscope (STM)
5. Electronics Feedback Loop
6. Atomic Force Microscope (AFM)
Applications of STM for Positional Assembly of Molecules
The Five Factors Responsible for Self-Assembly
(2). The Role of Intermolecular Interactions in Self-Assembly:
Some Examples of Controlled Self-Assemblies
(A-7). Self-Assembly on Silicon Surfaces
Dynamic Combinatorial Library (DCL)
Challenges and Limitations in Designing a DCL
(i) The nature of DCL components and templates
(ii)The types of intermolecular interactions in DCL
Molecular Recognition
Some Examples and Applications of DCL
Host – Guest Chemistry
Molecular Building Blocks
Diamondoids
Glossary
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Principles of NanoTechnology Molecular-Based Study of Condensed Matter in Small Systems

Principles of NanoTechnology Molecular-Based Study of Condensed Matter in Small Systems

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Published by: ni_ortega1981 on Jul 11, 2013
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08/04/2013

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