ATOMISTIC SIMULATION OF NANOSTRUCTURED MATERIALS

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.

Autorentext

Graduated from Dalian University of Technology, Dalian, P.R. China with his B.E. and M.E. in Civil Engineering in 2000 and 2003. Graduated from the University of Akron, Akron, OH, USA with his Ph.D. in Materials and Computer modeling in 2006.

Klappentext

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.