Ab initio-based modelling of high entropy alloys

High entropy alloys (HEAs) are the new class of materials with unique microstructure and properties. They contain four or more components in equal or near-equal atomic percent. Due to their high yield strength and hardness at elevated temperatures, HEAs are potential candidates for high-temperature applications whereas their superior irradiation properties in comparison with pure elements and conventional alloys make them potential candidates for applications in structural elements of future fusion and fission reactors.

Read more: http://nomaten.ncbj.gov.pl

Dr Jan S. Wróbel

Curriculum Vitae

Dr Jan Wróbel is an Assistant Professor at the Faculty of Materials Science and Engineering (FMSE), Warsaw University of Technology (WUT). His research focuses on the ab initio modelling of materials properties based on the density functional theory (DFT). He was using this method both for his Master's thesis at the Faculty of Physics WUT and PhD thesis at FMSE-WUT. After a defence of his PhD thesis in June 2012, Dr Jan Wróbel moved for a post-doc to the world-renowned Materials Modelling group head by Prof. Sergei Dudarev at Culham Centre for Fusion Energy in the United Kingdom, where he was involved during 2.5 years in the Accelerated Metallurgy project. In this project, he was responsible together with Prof. Duc Nguyen-Manh for the DFT modelling of phase stability of multicomponent alloys for fusion applications.

After his come back to Poland, Dr Jan Wróbel was the project leader of the HOMING project titled “Ab-initio modelling of phase stability and properties of high-entropy alloys” financed by the Foundation for Polish Science. Now, he is the principal investigator of the SONATA project titled “Microstructure evolution of Ta-Ti-V-W high-entropy alloys: from ab initio modelling to additive manufacturing technology” supported by the National Science Foundation in Poland. Since the year 2017, he has been also the task leader within the IREMEV (Irradiation Effects Modelling and Experimental Validation) package in the EUROfusion project.

Dr Jan Wróbel is an author of 31 papers (8 of them are focused on high-entropy alloys) in international journals with peer reviewers that have more than 500 citations. The Hirsch index of Dr Jan Wróbel is 13. He won the Scholarship for Young Scientists funded by the Foundation for Polish Science. Dr Jan Wróbel was a visiting scientist and a member of the “Materials for Fusion and Fission” group at the Materials Department of University of Oxford head by Prof. Steve Roberts. He has completed also an internship in the group of Prof. Georg Kresse at the University of Vienna, in which the VASP code (the most popular program for DFT calculations) was created and is being now developed.