Modeling of microstructure and elastic properties of nc-TiN/a-Si3N4 nanocomposite; Computational Materials Science; Vol. 123

Bibliografiske detaljer
Parent link:Computational Materials Science
Vol. 123.— 2016.— [P. 256–262]
Institution som forfatter: Национальный исследовательский Томский политехнический университет (ТПУ) Институт физики высоких технологий (ИФВТ) Лаборатория № 1
Andre forfattere: Safronov I. V. Igor Vasiljevich, Shimanskii (Shymanski) V. I. Vitali Igorevich, Uglov V. V. Vladimir Vasilievich, Kvasov N. T. Nikolay Trafimovich, Dorozhkin N. N. Nikolay Nikolaevich
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
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

MARC

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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 
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