Description of Mesoscopic Model code and data structures : software design document : deliverable 3.2

This document is intended to draw the guidelines for the software developing process related to the NanoDome Project. As a SDD, Software Design Docu- ment, it follows the IEEE 1016-2009 Standard. The objective of this deliverable is to describe the software design choices moti- vated by the various aspects and concerns related to the developing of a simu- lation environment for a mesoscale system. The model described in Deliverable 3.1 (D3.1) [2] will cover the length scale between the atomistic (≈ 10 −10 m) and the continuum (≈ 10 −4 m) scales in order to study the behavior of the industri- ally relevant nanoparticles synthesis processes from gaseous phase that occurs at mesoscopic scale (≈ 10 −8 − 10 −5 m). Nanoparticle synthesis processes are cru- cial for the mass production of industrial manufactures based on nanomaterials or nanopowders (cellular batteries, etc . . . ). The goal of this project is to provide a complete software environment to model and predict the behavior of nanoparticles synthesis process of different materials (e.g. Si, Al, ZnO), starting from precise material data emerging from the atomistic scale. The model is intended to be connected (coupled or linked) with continuum simulation (eg. CFD simulation) of industrial scale reactors in order to provide data to the bigger scale for guiding the simulation and retrieve data from the bigger scale to enhance the mesoscopic simulation itself.