Abstract: Nowadays, with the increasing of the wafer's size and
the decreasing of critical size of integrated circuit manufacturing in
modern high-tech, microelectronics industry needs a maximum
attention to challenge the contamination control. The move to 300
[mm] is accompanied by the use of Front Opening Unified Pods for
wafer and his storage. In these pods an airborne cross contamination
may occur between wafers and the pods. A predictive approach using
modeling and computational methods is very powerful method to
understand and qualify the AMCs cross contamination processes.
This work investigates the required numerical tools which are
employed in order to study the AMCs cross-contamination transfer
phenomena between wafers and FOUPs. Numerical optimization and
finite element formulation in transient analysis were established.
Analytical solution of one dimensional problem was developed and
the calibration process of physical constants was performed. The least
square distance between the model (analytical 1D solution) and the
experimental data are minimized. The behavior of the AMCs
intransient analysis was determined. The model framework preserves
the classical forms of the diffusion and convection-diffusion
equations and yields to consistent form of the Fick's law. The
adsorption process and the surface roughness effect were also
traduced as a boundary condition using the switch condition Dirichlet
to Neumann and the interface condition. The methodology is applied,
first using the optimization methods with analytical solution to define
physical constants, and second using finite element method including
adsorption kinetic and the switch of Dirichlet to Neumann condition.
Abstract: Reactiondiffusion systems are mathematical models that describe how the concentration of one or more substances distributed in space changes under the influence of local chemical reactions in which the substances are converted into each other, and diffusion which causes the substances to spread out in space. The classical representation of a reaction-diffusion system is given by semi-linear parabolic partial differential equations, whose general form is ÔêétX(x, t) = DΔX(x, t), where X(x, t) is the state vector, D is the matrix of the diffusion coefficients and Δ is the Laplace operator. If the solute move in an homogeneous system in thermal equilibrium, the diffusion coefficients are constants that do not depend on the local concentration of solvent and of solutes and on local temperature of the medium. In this paper a new stochastic reaction-diffusion model in which the diffusion coefficients are function of the local concentration, viscosity and frictional forces of solvent and solute is presented. Such a model provides a more realistic description of the molecular kinetics in non-homogenoeus and highly structured media as the intra- and inter-cellular spaces. The movement of a molecule A from a region i to a region j of the space is described as a first order reaction Ai k- → Aj , where the rate constant k depends on the diffusion coefficient. Representing the diffusional motion as a chemical reaction allows to assimilate a reaction-diffusion system to a pure reaction system and to simulate it with Gillespie-inspired stochastic simulation algorithms. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the specific speed of reaction and diffusion events. Redi is the software tool, developed to implement the model of reaction-diffusion kinetics and dynamics. It is a free software, that can be downloaded from http://www.cosbi.eu. To demonstrate the validity of the new reaction-diffusion model, the simulation results of the chaperone-assisted protein folding in cytoplasm obtained with Redi are reported. This case study is redrawing the attention of the scientific community due to current interests on protein aggregation as a potential cause for neurodegenerative diseases.