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Computer Investigation of the Stability and Structure of Si and SiO2 Nanoparticles
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Authors: A.Y. Galashev, V.A. Polukhin (Russian Academy of Sciences, Russia) 
Book Description:
Fast development of nanotechnologies requires a search of new methods of studying the structure and stability of nanomaterials with detailed investigation of their structural units. Computer simulations predict that silicon clusters differ significantly from the bulk crystal lattice and surface. The subject of this book is molecular dynamics simulation of noncrystalline silicon and silicon dioxide clusters with the size of 60 up to 975 atoms. It is carried out to understand features of their structure which defines their physicochemical properties. Special attention is given to the examination of stability of continuous and hollow medium-sized silicon clusters. (Imprint: Nova)



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Table of Contents:
Preface

Abbreviations

Chapter 1: Introduction (pp. 1-8)

Chapter 2: Molecular Dynamics Calculations (pp. 9-24)

Chapter 3: Physicochemical Properties of Silicon Nanoparticles Containing Atoms (pp. 25-36)

Chapter 4: Molecular Dynamics Study of Hydrogenated Silicon Clusters at High Temperatures (pp. 37-56)

Chapter 5: Simulation of Noncrystalline Silicon Nanoparticle (pp. 57-66)

Chapter 6: Computer Simulation of Tension of Silicon Noncrystalline Nanoparticles (pp. 67-80)

Chapter 7: Temperature Dependence of Physical Properties of Silicon Noncrystalline Nanoparticles (pp. 81-90)

Chapter 8: Nucleation of Silicon Dioxide Nanoparticle in Closed Domain structure (pp. 91-102)

Chapter 9: Computer Investigation of Structure of Porous Nanoparticle under Uniform Uniform tension (pp. 103-114)

10.Concluding Remarks (pp. 115-118)

References (pp. 119-126)

Index (pp. 127-130)

   Series:
      Nanotechnology Science and Technology
   Binding: Softcover
   Pub. Date: 2011
   Pages: 130.pp
   ISBN: 978-1-61324-318-3
   Status: AV
  
Status Code Description
AN Announcing
FM Formatting
PP Page Proofs
FP Final Production
EP Editorial Production
PR At Prepress
AP At Press
AV Available
  
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Computer Investigation of the Stability and Structure of Si and SiO2 Nanoparticles