We have performed molecular-dynamics simulations using realistic many-body semiclassical potentials for hydrosilicon interactions to investigate the deposition and diffusion dynamics of thermal to hyperthermal SiH3 radicals on hydrogen-terminated silicon (100) surfaces. We have studied the radical diffusion length as a function of difFerent incident radical energies to know the efFect of the radical energization on the radical diffusion upon a substrate. As a result of the deposition and diffusion dynamics simulation using 100 radicals, it was observed that when radicals having an incident kinetic energy of about 700 K adsorb vertically on a substrate with high hydrogen coverage, the average diffusion length is 0 the largest and the value is about 32 A. It was found that the incident energized radical has an optimum energy to maximize the radical diffusion length on a substrate under some conditions.

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We have performed molecular-dynamics (MD) simulations of hydrogenated amorphous silicon (a-Si:H) thin-film growth using realistic many-body semiclassical potentials developed to describe Si-H interactions. In our MD model, it was assumed that SiH3, SiH2 and the H radicals are main precursors for the thin-film growth. In MD simulations of a-Si:H thin-film growth by many significant precursor SiH3 radicals, we have evaluated average radical migration distances, defect ratios, hydrogen contents, and film growth rates as a function of different incident radical energies to know the effect of the radical energization on the properties. As a result of the comparison between the numerical and experimental results, it was observed that the agreement is fairly good, and that an increase of radical migration distance due to the radical energization is effective on a- Si:H thin-film growth with a low defect.

This paper will give an overview of wavelet methods applied to computational fluid dynamics, including scale resolution, grid and order selection throughout a domain. In addition, Spline-based wavelet methods will be placed in the context of finite elements where the element size is adjusted throughout the domain.

Particle formation processes in silane plasma have been studied by means of ab initio molecular orbital method and the Derjaguin–Landau–Verway–Overbeek (DLVO) theory. The results from a quantitative comparison between the Si–H bonding energy of negative species and that of neutral ones suggested the presence of the polymerization pathways via negative species. The DLVO theory has been applied to calculate the interaction potential energy between the charged particles. It was found that the heterogeneous aggregation accelerates the particle growth.