Computer Simulations of Gold Nanomaterials and
               Driven Classical 2D Coulomb Gas


Section I     Melting of Gold Nanoparticles


Chapter 1     Introduction

      * Research interests of gold nanomaterials

      * The importance of studying thermostability and melting behavior
        of gold nanoparticles

      * Simulation methods and our conclusions


Chapter 2     Methods

   2.1  Glue potential model and MD methods

   2.2  Structure analysis
  
      * Bond orientational order parameters

   2.3  Geometrical analysis of the surface
   
      * Cone algorithm

      * Roughness and curvatures

   2.4  Shape of nanoparticles

      * Radius of gyration

      * Average equilibrium shape

   2.5  Atom mobility analysis


Chapter 3    Results

   3.1  Melting of Mackay icosahedral gold clusters

      * Mackay icosahedra

      * Melting behavior

      * Diffusion

      * Average equilibrium shape

      * Roughness and curvature distributions

      * Other sizes

      * Mechanism

   3.2  Structural and morphological transitions in gold nanorods

      * Intermediate state

      * Structure and shape change during continuous heating

      * Forming of {111} facets

      * Mechanism


Chapter 4    Conclusions

      * Conclusions about the icosahedral gold nanoclusters

      * Conclusions about the gold nanorods

      * Theme of gold {111} facets in the stability of gold nanomaterials


    
Section II      Nonequilibrium Steady State of Driven Classical 2D
                   Coulomb Gas 


Chapter 1     Introduction

      * Research interests of equilibrium charge lattices and
        nonequilibrium driven lattices

      * Review of equilibrium results

      * Review of nonequilibrium results

      * Summary of our results and conclusions


Chapter 2     Methods

   2.1 Classical 2D Coulomb Gas Model

      * Hamiltonian, periodic boundary condition and Green function solution

   2.2 Monte Carlo Alogrithms for nonequilibrium steady states

      * Driven Diffusive Metropolis Monte Carlo

      * Driven diffusive continuous time Monte Carlo

      * Driven diffusive multiple movement Monte Carlo

   2.3 Structure analysis

      * Structure function

      * Order parameters

      * Finding nearest neighbors by Voronoi diagram

   2.4 Finite size scaling methods

      * ???


Chapter 3     Results

   3.1 Square lattices with f=1/25 and E=0.1

      * Long time simulations show different results compared to those
        concluded from short time ones

      * Smectic phase

      * Hexatic liquid phase

      * Conclusion

   3.2 Triangular lattices with f=1/49 and different Es

      * Floating solid phase

      * Smectic phase

      * Conclusion

   3.3 Triangular lattices with random potential barriers

      (To be completed)


Chapter 4    Summary

      (To be completed)