Modeling of microstructure and elastic properties of nc-TiN/a-Si3N4 nanocomposite; Computational Materials Science; Vol. 123
| Parent link: | Computational Materials Science Vol. 123.— 2016.— [P. 256–262] |
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| Institution som forfatter: | |
| Andre forfattere: | , , , , |
| Summary: | Title screen In the present work the influence of nc-TiN nanocrystals on the elastic properties of nc-TiN/a-Si3N4 nanocomposite is discussed. The elastic moduli (shear modulus, compression modulus, Young's modulus) for both amorphous matrix a-Si3N4 and nc-TiN nanocrystals of different size were calculated by first-principles method and molecular static method correspondingly. The Volkov-Stavrov approach was applied for modeling elastic properties of nanocomposite taking into account size and volume fraction of the TiN inclusions. The results of modeling showed the increase the effective elastic moduli of the nc-TiN/a-Si3N4 nanocomposite with nc-TiN inclusions size and volume fraction growth. The obtained results are compared to the experimental data. Режим доступа: по договору с организацией-держателем ресурса |
| Sprog: | engelsk |
| Udgivet: |
2016
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| Fag: | |
| Online adgang: | http://dx.doi.org/10.1016/j.commatsci.2016.06.006 |
| Format: | MixedMaterials Electronisk Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=653086 |
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| 200 | 1 | |a Modeling of microstructure and elastic properties of nc-TiN/a-Si3N4 nanocomposite |f I. V. Safronov [et al.] | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: p. 261-262 (41 tit.)] | ||
| 330 | |a In the present work the influence of nc-TiN nanocrystals on the elastic properties of nc-TiN/a-Si3N4 nanocomposite is discussed. The elastic moduli (shear modulus, compression modulus, Young's modulus) for both amorphous matrix a-Si3N4 and nc-TiN nanocrystals of different size were calculated by first-principles method and molecular static method correspondingly. The Volkov-Stavrov approach was applied for modeling elastic properties of nanocomposite taking into account size and volume fraction of the TiN inclusions. The results of modeling showed the increase the effective elastic moduli of the nc-TiN/a-Si3N4 nanocomposite with nc-TiN inclusions size and volume fraction growth. The obtained results are compared to the experimental data. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t Computational Materials Science | ||
| 463 | |t Vol. 123 |v [P. 256–262] |d 2016 | ||
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a nanocomposite | |
| 610 | 1 | |a нанокомпозиты | |
| 610 | 1 | |a nc-TiN/a-Si3N4 | |
| 610 | 1 | |a nanocrystals | |
| 610 | 1 | |a нанокристаллы | |
| 610 | 1 | |a аморфные материалы | |
| 610 | 1 | |a модули упругости | |
| 610 | 1 | |a метод функционала плотности | |
| 610 | 1 | |a amorphous matrix | |
| 610 | 1 | |a shear modulus | |
| 610 | 1 | |a compression modulus | |
| 610 | 1 | |a molecular dynamic method | |
| 610 | 1 | |a electron density functional method | |
| 610 | 1 | |a size effect | |
| 701 | 1 | |a Safronov |b I. V. |g Igor Vasiljevich | |
| 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 | |
| 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 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 | |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет (ТПУ) |b Институт физики высоких технологий (ИФВТ) |b Лаборатория № 1 |3 (RuTPU)RU\TPU\col\19035 |
| 801 | 2 | |a RU |b 63413507 |c 20191212 |g RCR | |
| 856 | 4 | |u http://dx.doi.org/10.1016/j.commatsci.2016.06.006 | |
| 942 | |c CF | ||