Our Fusion group member Alba Gordó presented her Master’s thesis in Modelling for Science and Engineering entitled “Computational study of defects in tungsten crystals by means of density functional theory” on the 14th of September.
The work was based on the research she has been carrying out since last March in our group and in close collaboration with the Materials group at the CASE department at BSC, under the supervision of Dr. Stephan Mohr and Prof. Dr. Mervi Mantsinen. The defense took place at the Faculty of Sciences of Universitat Autònoma de Barcelona, Spain, and was graded with a top mark, proving the relevance and originality of it.
Alba’s research is focused on fusion materials and is a continuation of Marc Eixarch’s MSc project. In particular, Alba studied the implementation of the fragment approach to determine with more precision the formation energy of vacancy point defects in a Tungsten lattice using the BigDFT tool. The results obtained during the research period may help the fusion community to quantify the damage in the first wall of a future fusion reactor made up of tungsten.
Alba wants to thank the whole group for the support and valuable advise received during her internship.