"Multi Atomistic Monte Carlo Simulation of Technologically Important Crystals"
Using the atomistic Object and Lattice Kinetic Monte Carlo techniques (OKMC, LKMC), tools that can achieve the scales and ranges involved, this European project will improve the scientific understanding, generate efficient models for technology development and provide a simulation workbench to optimize the use of SiGe, SiC (microelectronics) and Fe, FeCr (nuclear). In particular, several atomic configurations will be included in LKMC to study the amorphous/crystalline transitions of Si-based materials, and models for the formation of defective crystals during the transition proposed. Also, models for the inclusion of binary alloys in an OKMC scenario will be created to study the evolution of defects under different conditions, to be used for SiC, SiGe and FeCr materials. Finally, parallelization techniques will be explored to improve the scope of KMC applications. The knowledge gain with this project improves the performance of last generation Si-based transistors, and the use of FeCr as a blanket material in the ITER and future DEMO project as well as other fusion reactor concepts.
Funding Organisation: Marie Curie Action-CIG, 7th Framework Programme
Industrial Sector: Microelectronics and nuclear
Project Period: 2011 – 2015
Principal Investigator: Dr. Ignacio Martin-Bragado