Elastic properties of fullerites and diamond-like phases
Diamond‐like structures, that include sp2 and sp3 hybridized carbon atoms, are of considerable interest nowadays. In the present work, various carbon auxetic structures are studied by the combination of molecular dynamics (MD) and analytical approach. Two fullerites based on the fullerene C60 and fu...
| Published in: | Physica status solidi B Vol. 256, № 1. P. 1800049 (1-12) |
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| Other Authors: | , , , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000660362 Перейти в каталог НБ ТГУ |
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| 024 | 7 | |a 10.1002/pssb.201800049 |2 doi | |
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| 039 | 9 | |a 201907091400 |c 201907081708 |d VLOAD |y 201907081701 |z Александр Эльверович Гилязов | |
| 040 | |a RU-ToGU |b rus |c RU-ToGU | ||
| 245 | 1 | 0 | |a Elastic properties of fullerites and diamond-like phases |c L. Kh. Rysaeva, J. A. Baimova, D. S. Lisovenko [et al.] |
| 504 | |a Библиогр.: 100 назв. | ||
| 520 | 3 | |a Diamond‐like structures, that include sp2 and sp3 hybridized carbon atoms, are of considerable interest nowadays. In the present work, various carbon auxetic structures are studied by the combination of molecular dynamics (MD) and analytical approach. Two fullerites based on the fullerene C60 and fullerene‐like molecule C48 are investigated as well as diamond‐like structures based on other fullerene‐like molecules (called fulleranes), carbon nanotubes (called tubulanes) and graphene sheets. MD is used to find the equilibrium states of the structures and calculate compliance and stiffness coefficients for stable configurations. Analytical methods are used to calculate the engineering elastic coefficients (Young's modulus, Poisson's ratio, shear modulus and bulk modulus), and to study their transformation under rotation of the coordinate system. All the considered structures are partial auxetics with the negative value of Poisson's ratio for properly chosen tensile directions. It is shown that some of these structures, in a particular tension direction, have a very high Young's modulus, that is, 1852 GPa for tubulane TA6. | |
| 653 | |a фуллериты | ||
| 653 | |a алмазоподобные структуры | ||
| 653 | |a упругие свойства | ||
| 655 | 4 | |a статьи в журналах |9 879358 | |
| 700 | 1 | |a Baimova, Julia A. |9 476738 | |
| 700 | 1 | |a Lisovenko, Dmitry S. |9 497226 | |
| 700 | 1 | |a Gorodtsov, Valentin A. |9 497227 | |
| 700 | 1 | |a Dmitriev, Sergey V. |9 102247 | |
| 700 | 1 | |a Rysaeva, Leysan Kh. |9 497228 | |
| 773 | 0 | |t Physica status solidi B |d 2019 |g Vol. 256, № 1. P. 1800049 (1-12) |x 0370-1972 | |
| 852 | 4 | |a RU-ToGU | |
| 856 | 4 | |u http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000660362 | |
| 856 | |y Перейти в каталог НБ ТГУ |u https://koha.lib.tsu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=457915 | ||
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