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Hillert Materials Modeling Colloquium series XVI: Atomic scale modelling of precipitation in alloys

Person in front of laptop

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

Location: Zoom

Video link:

Language: English

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.


Andrei Ruban
Andrei Ruban.

Professor Andrei Ruban graduated from Vologda State Technical University in 1981. He received PhD in Solid State Physics, at Moscow Institute of Steels and Alloys (now National University of Science and Technology), in 1985. Between 1982 and 1994, he was researcher at Institute of Aviation Materials. In 1994, he joined the Danish Technical University, where he was first postdoc, and then assistant and associate research professor within the Center for Atomic Scale Materials Physics division. From 2004, he moved to KTH. He became professor at MSE in 2011. Since 2014, he also works at Materials Center Leoben (Austria) as researcher. Ruban’s area of expertise is an initio and atomic scales alloy theory. He has several hundreds of high profile scientific publications and received about 18000 citations on his works (h-index 58).


Belongs to: Hillert Modeling Laboratory
Last changed: Sep 29, 2023