Simulation of defect formation, amorphization and cluster formation processes in nc-TiN/a-Si3N4 nanocomposite under Xe irradiation
| Parent link: | Computational Materials Science Vol. 143.— 2018.— [P. 143–156] |
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| Corporate Authors: | , |
| Other Authors: | , , , , , , |
| Summary: | Title screen The research of defect formation and clusterization processes by means of a molecular dynamics method both in nc-TiN nanocrystals and amorphous a-Si3N4 matrix, as the constituents of nc-TiN/a-Si3N4 nanocomposite, under exposure to Xe implantation was the aim of the present study. Dependences of the clustered Xe atoms fraction on their concentration and temperature of post-irradiation annealing were analyzed. At defect formation process in nc-TiN nanocrystals, there is a size effect consisting in intensification of the radiation point defects formation with the reduction of nc-TiN nanocrystals size and concurrent predominant formation of the dangling Si- and N-bonds in a-Si3N4 matrix. Accumulation of these defects at the irradiation leads to amorphization of nc-TiN nanocrystals with the size less than 8?nm and to formation of the nanopores in a-Si3N4 matrix. The important role of the radiation defects subsystem in transport processes of implanted Xe both in TiN close-packed lattice as well as in a-Si3N4 amorphous matrix is shown. There is a much higher extent of intensity of xenon atoms clusterization processes in the amorphous matrix. The results of the simulation are compared to existing experimental data. Режим доступа: по договору с организацией-держателем ресурса |
| Published: |
2018
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| Subjects: | |
| Online Access: | https://doi.org/10.1016/j.commatsci.2017.10.046 |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=657640 |