Hillert Materials Modeling Colloquium series XVI: Atomic scale modelling of precipitation in alloys
Listen to Professor Andrei Ruban presenting Monte Carlo simulation atomic scale modelling. In this seminar he will introduce the Monte Carlo simulations, discuss the Gibbs-Thomson effect and its atomistic modelling, as well as Monte Carlo results for the kinetics of precipitation in binary alloys.
Time: Tue 2023-10-24 15.00 - 16.00
Video link: https://kth-se.zoom.us/j/63361310793
Participating: Professor Andrei Ruban
Atomic scale modelling based on Monte Carlo simulations of finite temperature atomic configuration on the lattice is the necessary tool for the accurate description of alloy kinetics and thermodynamics. In this talk, it is shortly introduced following by the presentation of some Monte Carlo simulation results for a “generic” (toy) phase separating binary alloy. First, the Gibbs-Thomson effect in alloys is discussed and its atomistic modelling is presented. Secondly, the Monte Carlo results for the kinetics of precipitation in binary alloys are demonstrated. As evident, although the size of precipitates grows in time following the well-known t1/3-law, the distribution of the precipitate sizes is drastically different from the Lifshitz-Slezov(-Wagner) one.