Molecular Dynamics Simulation of Nanoindentation-induced Mechanical Deformation and Phase Transformation in Monocrystalline Silicon

This work presents the molecular dynamics approach toward mechanical deformation and phase transformation mechanisms of monocrystalline Si(100) subjected to nanoindentation. We demonstrate phase distributions during loading and unloading stages of both spherical and Berkovich nanoindentations. By searching the presence of the fifth neighboring atom within a non-bonding length, Si-III and Si-XII have been successfully distinguished from Si-I. Crystallinity of this mixed-phase was further identified by radial distribution functions

Novel poly(N-isopropylacrylamide)-poly[(R)-3-hydroxybutyrate]-poly(N- isopropylacrylamide) triblock copolymer surface as a culture substrate for human mesenchymal stem cells

10.1039/b904171kSoft Matter5152937-294

Numerical investigations into the tensile behavior of TiO2 nanowires: Structural deformation, mechanical properties, and size effects

10.1021/n18027284Nano Letters92576-58

Nanoscratch behavior of multi-layered films using molecular dynamics

Molecular dynamics simulations are performed to study the plastic deformation, stress and chip formation of scratched multi-layered films. The results showed that stick–slip and work-hardening behaviors were observed during the scratching process. There was a pile-up of amorphous disordered debris atoms and shear rupture ahead of the probe and a clear side-flow on the lateral sides of the probe when the probe moved forward. Both the plastic energy and the adhesion increased with an increase in the scratching depth. The glide band of the interface was on the {111}?110? slip system with a maximum width of the glide band of about 1 nm. The strain energy stored in the deformed structure caused a higher stress region in the material in front of the tool edge, with a maximum stress of about 10 GPa. In addition, the mechanical response and thermal softness phenomenon are discusse