Stochastic models of systems for Nanotechnology: from micro to macro scale

Abstract

Computer modeling technique based on the theory of stochastic processes have been used in order to provide a realistic simulation of the behavior of nanoscopic systems, related in particular to plasma reactors in microelectronic device production. Basing on decades of experience, we show here, with new results, that the universality of such methods allows the development of codes with the highest reusability and versatility, crossing the barrier of scale. At the smallest scale, the quantum calculation of the potential energy surface and spectroscopic properties of hydrogen species under nanoconfinement conditions display the effects due to the dimension and the symmetry of the confining potential well. Nanoparticles dispersed as aerosol in plasma feature strong fluctuations in temperature and charge which may affect the processing of silicon wafers. At the macroscopic scale, using a stochastic solution of transport equations, it is possible to describe laboratory or industrial systems for the production or treatment of nanomaterials, also exploiting the analogy between neutral particle transport and radiative transfer and information obtained by molecular simulations. These findings are relevant in the control of solid-particle contamination in the manufacture of electronic components and in other fields.