1School of Physics, University of Electronic Science and Technology of China, Chengdu 610054 2Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900
Abstract：Molecular dynamics simulations are performed to investigate the effects of low-energy recoils on the microscopic structure of porous silica. Exhibiting a logistic growth with the recoil energy, the displacement probability of Si is shown to be smaller than that of O at the same primary knock-on level. Computations of pair distribution functions and bond angle distributions reveal that this material upon irradiation with energies around the displacement thresholds mainly undergoes structural changes in the medium-range order. In the porous network, while the formation of nonbridging oxygen defects tends to induce shorter Si–O bonds than those formed by bridging oxygen atoms, a remarkable increase of inter-tetrahedral bond angles created by multiple recoils can be observed and associated with the rearrangement of ring statistics.
2019, Vol. 36 
