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Atomistic Simulation of Nanostructured Materials by Ronghua Zhu

Atomistic Simulation of Nanostructured Materials

by Ronghua Zhu
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Book cover type: Paperback
  • ISBN13: 9783639067668
  • Binding: Paperback
  • Subject: N/A
  • Publisher: VDM Verlag
  • Publisher Imprint: VDM Verlag
  • Publication Date:
  • Pages: 156
  • Original Price: GBP 48.97
  • Language: English
  • Edition: N/A
  • Item Weight: 236 grams
  • BISAC Subject(s): Mechanics / General

Based on the multiresolution method, which combines the continuum mechanics, kinetic Monte Carlo method and molecular dynamics method, this book studies the nanostructured materials grown by quantum-dot self- assembly, mechanical properties of strained semiconductors, and mechanical properties of carbon nanotube reinforced composites. This book covers the following three main contributions: 1). Self- organization of semiconductors InAs/GaAs in Stranski- Krastanov growth mode is studied using kinetic Monte Carlo simulations method coupled with the Green's function solution for the elastic strain energy distribution; 2) Utilizing the basic continuum mechanics, we present a molecular dynamic prediction for the elastic stiffness C11, C12 and C44 in strained silicon and InAs as functions of the volumetric (misfit) strain; 3). Also using MD method, the carbon nanotube reinforced Epon 862 composite is studied. The stress-strain relations and the elastic Young's moduli along the longitudinal direction (parallel to CNT) are simulated with the results being also compared with those from the rule-of-mixture.

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