Modeling of microstructure and elastic properties of nc-TiN/a-Si3N4 nanocomposite

Modeling of microstructure and elastic properties of nc-TiN/a-Si3N4 nanocomposite

Bibliographic Details
Parent link:	Computational Materials Science Vol. 123.— 2016.— [P. 256–262]
Corporate Author:	Национальный исследовательский Томский политехнический университет (ТПУ) Институт физики высоких технологий (ИФВТ) Лаборатория № 1
Other Authors:	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
Published:	2016
Subjects:	электронный ресурс труды учёных ТПУ nanocomposite нанокомпозиты nc-TiN/a-Si3N4 nanocrystals нанокристаллы аморфные материалы модули упругости метод функционала плотности amorphous matrix shear modulus compression modulus molecular dynamic method electron density functional method size effect
Online Access:	http://dx.doi.org/10.1016/j.commatsci.2016.06.006
Format:	Electronic Book Chapter
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=653086

Internet

http://dx.doi.org/10.1016/j.commatsci.2016.06.006