About this Abstract |
Meeting |
MS&T24: Materials Science & Technology
|
Symposium
|
Ceramic Materials for Nuclear Energy Systems
|
Presentation Title |
Molecular Dynamics Simulations of Displacement Cascades in LiAlO2 and LiAl5O8 Ceramics |
Author(s) |
Ankit Roy, Andrew Casella, David Senor, Weilin Jiang, Ram Devanathan |
On-Site Speaker (Planned) |
Ankit Roy |
Abstract Scope |
MolecularDynamics is used to investigate radiation damage in single/polycrystal LiAlO2 and LiAl5O8. Atomic displacement cascades were simulated by initiating primary knock-on atoms (PKA) with energy values = 5, 10 and 15 keV and the damage was quantified by number of Frenkel pairs formed for each species: Li, Al and O. Key results indicated that LiAlO2 experiences much more radiation damage than LiAl5O8, where number of Li Frenkel pairs in LiAlO2 was 3-5 times higher than in LiAl5O8 while number of Frenkel pairs for Al and O in LiAlO2 are ~2 times higher than in LiAl5O8. Primary reason is high displacement threshold energies (Ed) in LiAl5O8 for Li cations. Role of grain boundary is revealed from polycrystal simulations and higher rate of defect annealing is observed in LiAl5O8. Results suggest LiAl5O8 lattice is likely to be more radiation damage tolerant than LiAlO2 in irradiation conditions studied in this work. |