Advanced atomistic modeling of radiation damage in high-temperature superconductors for nuclear fusion application

The aim of this proposal is the theoretical and computational investigation of the radiation hardness of the high-temperature superconductor YBa2Cu3O7 (YBCO) for nuclear fusion applications.

High-temperature superconducting tapes have been proposed for generating the strong magnetic fields in nuclear fusion reactors, needed for confinement of the plasma where fusion of light atoms take place.

However, stability of the superconducting properties of these tapes under neutron radiation – causing, e.g., lattice defects – raises concerns.

Since experimental investigations cannot reproduce a reactor’s operational conditions, I will use theoretical methods to study the mechanisms of degradation of superconducting properties on short and long timescales. To allow for comparison with available experiments, damage from ions will be investigated as well.

Modeling of these processes will be carried out by developing a method that enables consideration of superconducting electrons in molecular dynamics simulations of damage from high-energy particles.

Electronic parameters will be calculated from first principles, and a machine learning interatomic potential will be utilized.

The results of the project will deliver a coherent picture of radiation damage in YBCO from different types of particles, guide experimental development of superconducting tapes for nuclear fusion reactors, and, more broadly, help in the advancement of small carbon footprint solutions for energy production.