High Entropy Alloys for Advanced Reactor Applications
Title: High Entropy Alloys for Advanced Reactor Applications
SNIC Project: SNIC 2020/5-234
Project Type: SNIC Medium Compute
Principal Investigator: Stephan Schönecker <stesch@kth.se>
Affiliation: Kungliga Tekniska högskolan
Duration: 2020-04-29 – 2021-05-01
Classification: 10304 20506
Homepage: https://www.kth.se/profile/stesch


The applicant is principal investigator (PI) of a VR funded Directed Research Grant on New Nuclear Technology (DNR 2017-06474, running time 2018-21). The purpose of this project is to perform the simulations proposed in this VR project, and will be performed by the PI and colleagues at the Department of Materials Science and Engineering, KTH Stockholm: Future nuclear technology applications require novel materials with excellent mechanical and chemical properties and high immunity to radiation. The unique intrinsic traits of high-entropy alloys (HEAs), e.g. high strength, thermal stability, ductility, self-healing ability against radiation damage and outstanding corrosion resistance, render them very promising candidates. The purpose of our project is to gain critical knowledge of HEAs with potential use in GenIV nuclear reactors and related high-temperature, high-pressure systems. This goal will be reached by integrating multi-scale modelling and experimental efforts at Swedish and foreign partners. We will achieve a deep understanding of the behaviour of advanced HEAs under equilibrium and non-equilibrium conditions with focus on physical and mechanical properties of bulk phases, microstructure, and radiation damage. We will study the electronic and atomic structure using modern ab initio quantum theory and thermodynamics together with molecular dynamics simulations. Our strategy will give us access to essential materials parameters and composition-structure-property relations needed for optimization of composition and properties of HEAs for nuclear technology.