Now showing items 1-5 of 5
Molecular simulation of the carbon nanotube growth mode during catalytic synthesis
(AIP Publishing, 2008-06-01)
Catalyzed growth of carbon nanostructures occurs mainly through two modes, i.e., base growth when the metal nanoparticle remains at the bottom of the nanotube, or when it is lifted by the growing carbon nanostructure due ...
Polarization dynamics over broad time and field domains in modified ferroelectrics
(AIP Publishing, 2003-08-01)
The dynamics of polarization switching have been investigated over extremely broad time (10(-8)<t<10(2) s) and field ranges for various modified Pb-based perovskite ferroelectrics. The results unambiguously demonstrate the ...
Polarization switching in (001)-oriented Pb(Mg1/3Nb2/3)O-3-x%PbTiO3 crystals: Direct observation of heterogeneous nucleation by piezoreponse force microscopy
(AIP Publishing, 2004-11-01)
Polarization switching in (001)-oriented Pb(Mg1/3Nb2/3)O-3-x%PbTiO3, PMN-x%PT, crystals for x=20 and 35 has been investigated in situ by scanning force microscopy in a piezoresponse mode, under a step-increased dc electrical ...
Diffusion mechanisms in Cu grain boundaries
(American Physical Society, 2000-08-01)
We investigate atomic mechanisms of grain boundary (GB) diffusion by combining molecular dynamics (MD), molecular statics, the harmonic approximation to atomic vibrations, and kinetic Monte Carlo (KMC) simulations. The ...
Stochastic simulation of enzyme-catalyzed reactions with disparate timescales
(CELL PRESS, 2008-10-01)
Many physiological characteristics of living cells are regulated by protein interaction networks. Because the total numbers of these protein species can be small, molecular noise can have significant effects on the dynamical ...