Funding available for an excellent graduate student starting between May and September 2024.
Title of the projet: Numerical study of atomic mechanisms associated with the aging of complex alloys by artificial intelligence methods
Details:
Many macroscopic properties of the materials around us depend finely on the precise position of the atoms at the microscopic level and their movement over time, through diffusion. Despite the importance of this question, the characterization of these mechanisms has long been limited by the lack of numerical methods to access the right time scales.
The kinetic ART code, developed by Normand Mousseau and his collaborators, is an off-lattice kinetic Monte Carlo simulation program with identification and cataloguing of barriers on the fly. This code, used by a dozen groups around the world, is the only one capable today of studying atomic relaxation kinetics and the diffusion of defects and impurities in alloys, interfaced materials and disordered materials over times exceeding the microsecond, regularly reaching time scales 1 to 100 million times longer.
In recent years, we have undertaken to integrate artificial intelligence methods into kinetic ART, which leads us today to undertake a complete rewrite of the code. The current project will be part of these efforts, by applying this method to the evolution of complex materials as well as continuing the algorithmic development of kinetic ART in order to keep the code at the forefront of the field.
This project is part of a collaboration with Laurent Karim Béland of Queens University and Natural Resources Canada researchers.
If you are interested, contact me: normand.mousseau@umontreal.ca
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