Atomic-Scale Analysis of Self-Positioning Nanostructures

Abstract

We performed an atomic-scale analysis of self-positioning nanostructures using the atomic-scale finite element method (AFEM) and Kriging interpolation technique. Equilibrium atomic configurations are determined for varying structure thicknesses and results are compared with the continuum mechanics solution under plane strain conditions. We observed significant decrease of the equilibrium curvature radius when the structure thickness is less than 40 nm. It is found that large compressive strains near the free surface affect the distribution of strains as the structure size decreases.

Temperature changes of the optical properties of (SiO2) n , (GaAs) m , and (SiO2) n (GaAs) m nanoparticles: Computer experiment

“…The optical and dielec tric properties of the nanoparticles of GaAs covered with SiO 2 have not been investigated to date, and the nanoparticles and with inverted placement of components (GaAs is outside) were not produced. The molecular dynamic calculations [6][7][8][9] suggest that the Tersoff potential can adequately reproduce the physical properties of a multicompo nent system.…”

“…The parameters of the Tersoff potentials for silicon, oxygen, gallium, and arsenic are tabulated in the table [8,9]. Here, the deficiently physically justified param eter is assumed equal to one.…”

A computer study of the Raman spectra of the (GaN)129, (SiO2)86, and (GaN)54(SiO2)50 nanoparticles

“…The Tersoff potential parameters for silicon, oxy gen, gallium, and nitrogen are listed in the table [14,15]. Potentials for Si, O, and N contain optimized parameters.…”

“…Potentials for Si, O, and N contain optimized parameters. The procedure selected for the optimiza tion of potential parameters involved simultaneous fit ting of energy and forces to the values obtained in cal culations by the density functional theory method 1, , Note: Parameter values for silicon, oxygen, and nitrogen were obtained in [14]; parameters for gallium were taken from [15].…”

Edge effect of strained bilayer nanofilms for tunable multistability and actuation

“…Many researchers have used continuum modeling 13, 14, 24–26 and atomic modeling 27–29 to study scrolling in multilayer nanostructures. Multiscale modeling approach is also available to combine both nanoscale atomic behaviors and macroscopic deformation.…”