Simulation of defect formation, amorphization and cluster formation processes in nc-TiN/a-Si3N4 nanocomposite under Xe irradiation; Computational Materials Science; Vol. 143
| Parent link: | Computational Materials Science Vol. 143.— 2018.— [P. 143–156] |
|---|---|
| Співавтори: | , |
| Інші автори: | , , , , , , |
| Резюме: | 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 |
| Мова: | Англійська |
| Опубліковано: |
2018
|
| Предмети: | |
| Онлайн доступ: | https://doi.org/10.1016/j.commatsci.2017.10.046 |
| Формат: | Електронний ресурс Частина з книги |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=657640 |
MARC
| LEADER | 00000naa0a2200000 4500 | ||
|---|---|---|---|
| 001 | 657640 | ||
| 005 | 20250122173611.0 | ||
| 035 | |a (RuTPU)RU\TPU\network\24253 | ||
| 090 | |a 657640 | ||
| 100 | |a 20180301d2018 k||y0engy50 ba | ||
| 101 | 0 | |a eng | |
| 102 | |a NL | ||
| 135 | |a drcn ---uucaa | ||
| 181 | 0 | |a i | |
| 182 | 0 | |a b | |
| 200 | 1 | |a Simulation of defect formation, amorphization and cluster formation processes in nc-TiN/a-Si3N4 nanocomposite under Xe irradiation |f V. V. Uglov [et al.] | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: 73 tit.] | ||
| 330 | |a 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. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t Computational Materials Science | ||
| 463 | |t Vol. 143 |v [P. 143–156] |d 2018 | ||
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a дефекты | |
| 610 | 1 | |a аморфизация | |
| 610 | 1 | |a нанокомпозиты | |
| 610 | 1 | |a метод молекулярной динамики | |
| 701 | 1 | |a Uglov |b V. V. |c Physicist |c Leading researcher of Tomsk Polytechnic University, Doctor of physical and mathematical sciences |f 1954- |g Vladimir Vasilievich |3 (RuTPU)RU\TPU\pers\36737 | |
| 701 | 1 | |a Safronov |b I. V. |g Igor Vasiljevich | |
| 701 | 1 | |a Remnev |b G. E. |c physicist |c Professor of Tomsk Polytechnic University, Doctor of technical sciences |f 1948- |g Gennady Efimovich |3 (RuTPU)RU\TPU\pers\31500 | |
| 701 | 1 | |a Saladukhin |b I. A. |g Igor A. | |
| 701 | 1 | |a Kvasov |b N. T. |c physicist |c leading researcher of Tomsk Polytechnic University, Doctor of physical and mathematical sciences |f 1949- |g Nikolay Trafimovich |3 (RuTPU)RU\TPU\pers\36768 | |
| 701 | 1 | |a Dorozhkin |b N. N. |g Nikolay Nikolaevich | |
| 701 | 1 | |a Shimanskii (Shymanski) |b V. I. |c Physicist |c Associate Scientist of Tomsk Polytechnic University, Candidate of physical and mathematical sciences |f 1986- |g Vitali Igorevich |3 (RuTPU)RU\TPU\pers\36738 | |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет |b Исследовательская школа физики высокоэнергетических процессов |c (2017- ) |3 (RuTPU)RU\TPU\col\23551 |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет |b Инженерная школа новых производственных технологий |b Научно-производственная лаборатория "Импульсно-пучковых, электроразрядных и плазменных технологий" |3 (RuTPU)RU\TPU\col\23502 |
| 801 | 2 | |a RU |b 63413507 |c 20191212 |g RCR | |
| 856 | 4 | |u https://doi.org/10.1016/j.commatsci.2017.10.046 | |
| 942 | |c CF | ||