Machine Learning Coffee seminar "Machine learning for Materials Research"

Flyura Djurabekova, Department of Physics, University of Helsinki

Machine learning for Materials Research

Abstract: In materials research, we have learnt to predict the evolution of microstructure starting with the atomic level processes. We know about defects -- point and extended, -- and we know that these can be crucial for the final structural (and related mechanical and electrical) properties. Often simple macroscopic differential equations, which are used for the purpose, fail to predict simple changes in materials. Many questions remain unanswered. Why a ductile material suddenly becomes brittle? Why a strong concrete bridge suddenly cracks and eventually collapses after serving for tens of years? Why the wall of high quality steels in fission reactors suddenly crack? Or, why the clean smooth surface roughens under applied electric fields? All these questions can be answered, if one peeks in to atom's behavior imagining it jumping inside the material. But how the atoms "choose" where to jump amongst the numerous possibilities in complex metals? Tedious parameterization can help to deal with the problem, but machine learning can provide a better and more elegant solution to this problem. 

In my presentation, I will explain the problem at hand and show a few examples of former and current application of Neural Network for calculating the barriers for atomic jumps with the analysis of how well the applied NN worked.

Machine Learning Coffee seminars are weekly seminars held jointly by the Aalto University and the University of Helsinki. The seminars aim to gather people from different fields of science with interest in machine learning. Talks will begin at 9:15 am and porridge and coffee will be served from 9:00 am.

Next talks:

October 9, Otaniemi: Daniel Simpson
October 16, Kumpula: Elja Arjas
October 23, Otaniemi: Aristides Gionis
October 30, Kumpula: Guido Consonni

Welcome!