21–23 Sept 2023
Central European University, CEU Nador 15 Campus (Budapest, Hungary)
Europe/Budapest timezone

Structural features deduced from X-ray diffraction and persistent homology analysis of monatomic metallic liquids

22 Sept 2023, 16:10
30m
room 103 (Central European University, CEU Nador 15 Campus (Budapest, Hungary))

room 103

Central European University, CEU Nador 15 Campus (Budapest, Hungary)

H-1051 Budapest, Nádor utca 9. (Hungary)
Fr4

Speaker

Akitoshi Mizuno ((1) National Institute of Technology, Hakodate College, (2) National Institute for Materials Science)

Description

In recent years, machine learning using liquid metal properties and theoretical models as input has led to rapid progress in the development of metallic glasses as well as many functional materials. It is therefore expected to become important in the future to use liquid structures as training data for machine learning to predict glass-forming ability. However, as metallic glasses are often multicomponent alloys, it takes a lot of time to cover their liquid structures. Therefore, it is important to predict the liquid structure of alloys from monatomic liquid structures, but at present, the accurate liquid structure data of some elements with particularly high melting points are not available. Therefore, the aim of this study was to systematise liquid structure information by focusing on the main constituent elements of metallic glasses and performing precise structure analysis of metallic liquids at high temperature typically over 2000 K. In the present study, structural data for eight elements, including Hf with a melting point of 2506 K, were measured using a combination of synchrotron X-ray diffraction and aerodynamic levitation at SPring-8. Persistent homology analysis was performed on 3D coordinates obtained from RMC modelling performed on the S(Q), and relationships with physical properties such as molar volume and entropy were investigated.

Primary author

Akitoshi Mizuno ((1) National Institute of Technology, Hakodate College, (2) National Institute for Materials Science)

Co-authors

Prof. Osamu Terakado (National Institute of Technology, Hakodate College) Mr Ahmed Kamada (National Institute of Technology, Hakodate College) Ms Ayaka Nakano (National Institute of Technology, Hakodate College) Koji Ohara (Shimane University) Prof. Tadahiko Masaki (Shibaura Institute of Technology) Shinji Kohara (National Institute for Materials Science)

Presentation materials

There are no materials yet.