TY - JOUR

T1 - Molecular dynamics simulations of radiation damage in YBa2Cu3O7

AU - Gray, Rebecca

AU - Rushton, Michael J. D.

AU - Murphy, Samuel T

PY - 2022/2/7

Y1 - 2022/2/7

N2 - Abstract The advent of High Temperature Superconductors (HTS) with high field strengths offers the possibility of building smaller, cheaper magnetically confined fusion reactors. However, bombardment by high energy neutrons ejected from the fusion reaction may damage the HTS tapes and impair their operation. Recreating the conditions present in an operational fusion reactor is experimentally challenging, therefore, this work uses molecular dynamics simulations to understand how radiation modifies the underlying crystal structure of YBa2Cu3O7. To facilitate the simulations a new potential was developed that allowed exchange of Cu ions between the two symmetrically distinct sites without modifying the structure. Radiation damage cascades predict the formation of amorphous regions surrounded by regions decorated with Cu and O defects found in the CuO-chains. The simulations suggest that the level of recombination that occurs is relatively low, resulting in a large number of remnant defects and that there is a no substantial temperature effect.

AB - Abstract The advent of High Temperature Superconductors (HTS) with high field strengths offers the possibility of building smaller, cheaper magnetically confined fusion reactors. However, bombardment by high energy neutrons ejected from the fusion reaction may damage the HTS tapes and impair their operation. Recreating the conditions present in an operational fusion reactor is experimentally challenging, therefore, this work uses molecular dynamics simulations to understand how radiation modifies the underlying crystal structure of YBa2Cu3O7. To facilitate the simulations a new potential was developed that allowed exchange of Cu ions between the two symmetrically distinct sites without modifying the structure. Radiation damage cascades predict the formation of amorphous regions surrounded by regions decorated with Cu and O defects found in the CuO-chains. The simulations suggest that the level of recombination that occurs is relatively low, resulting in a large number of remnant defects and that there is a no substantial temperature effect.

KW - Materials Chemistry

KW - Electrical and Electronic Engineering

KW - Metals and Alloys

KW - Condensed Matter Physics

KW - Ceramics and Composites

U2 - 10.1088/1361-6668/ac47dc

DO - 10.1088/1361-6668/ac47dc

M3 - Journal article

VL - 35

JO - Superconductor Science and Technology

JF - Superconductor Science and Technology

SN - 0953-2048

IS - 3

M1 - 035010

ER -