Grain boundary effects on defect production and damage cascade evolution in SiC/PyC interface: A molecular dynamics study

• DOI: 10.1142/s0217984924503299
• Publication Date: 2024-03-31T11:06:35Z
• Authors: Ziqi Cai; Yuanming Li; Wenjie Li; Jian Wu; Liying Zhang; Zhuang Shao; Bo Lei; Qingmin Zhang
• Keywords: Interface (matter); Dynamics

In this study, molecular dynamics simulations were employed to investigate the effect of symmetrical tilt grain boundaries (STGBs) on cascade collision evolution at SiC/PyC interface. We observed that angle size boundary (GB) spatial structures significantly influences both type and number defects caused by primary knock-on atom (PKA) collisions interface, altering damage morphology. Under PKA range from 1.5[Formula: see text]keV 15[Formula: 1000[Formula: text]K, interplay between GB interface throughout various stages impacts defect generation efficiency. Integrating analyses displacement morphology, threshold energy (TDE), Frenkel pairs (FPs) evolution, it is evident GBs introduced into with single crystals exhibit reduced absorption This implies existence competing mechanisms interfacial damage. Notably, plane near exhibits enhanced irradiation resistance atomic arrangement stability compared areas without GB. Overall, our results offer crucial insights mechanics ceramic composite interfaces, laying groundwork for future studies.