Standard

Temperature dependence of Young’s modulus of titanium dioxide (TIO2) nanotubes: Molecular mechanics modeling. / Lukyanov, S. I.; Bandura, A. V.; Evarestov, R. A.

в: Physics of the Solid State, Том 57, № 12, 2015, стр. 2464-2472.

Результаты исследований: Научные публикации в периодических изданиях › статья

Harvard

Lukyanov, SI, Bandura, AV & Evarestov, RA 2015, 'Temperature dependence of Young’s modulus of titanium dioxide (TIO2) nanotubes: Molecular mechanics modeling', Physics of the Solid State, Том. 57, № 12, стр. 2464-2472. https://doi.org/10.1134/S1063783415120239

APA

Lukyanov, S. I., Bandura, A. V., & Evarestov, R. A. (2015). Temperature dependence of Young’s modulus of titanium dioxide (TIO2) nanotubes: Molecular mechanics modeling. Physics of the Solid State, 57(12), 2464-2472. https://doi.org/10.1134/S1063783415120239

Vancouver

Lukyanov SI, Bandura AV, Evarestov RA. Temperature dependence of Young’s modulus of titanium dioxide (TIO2) nanotubes: Molecular mechanics modeling. Physics of the Solid State. 2015;57(12):2464-2472. https://doi.org/10.1134/S1063783415120239

Author

Lukyanov, S. I. ; Bandura, A. V. ; Evarestov, R. A. / Temperature dependence of Young’s modulus of titanium dioxide (TIO2) nanotubes: Molecular mechanics modeling. в: Physics of the Solid State. 2015 ; Том 57, № 12. стр. 2464-2472.

BibTeX

@article{cd880a06ef4c40898798168f0873ef65,
title = "Temperature dependence of Young{\textquoteright}s modulus of titanium dioxide (TIO2) nanotubes: Molecular mechanics modeling",
abstract = "{\textcopyright} 2015, Pleiades Publishing, Ltd.Temperature dependence of the Young{\textquoteright}s modulus of cylindrical single-wall nanotubes with zigzag and armchair chiralities and consolidated-wall nanotubes has been studied by the molecular mechanics method with the use of the atom–atom potential. The nanotubes have been obtained by rolling up of crystal layers (111) of TiO2 with fluorite structure. Calculations have been performed for isothermal conditions on the basis of calculating the Helmholtz free energy of the system. The dependence of the Helmholtz free energy of nanotubes on the period has been calculated in the quasi-harmonic approximation as a result of calculation of phonon frequencies. It has been shown that the temperature dependence of the stiffness of nanotubes is determined by their chirality, and some nanotubes exibit anomalous behavior of both the Young{\textquoteright}s modulus and the period of unit cell with variation in temperature.",
author = "Lukyanov, {S. I.} and Bandura, {A. V.} and Evarestov, {R. A.}",
year = "2015",
doi = "10.1134/S1063783415120239",
language = "English",
volume = "57",
pages = "2464--2472",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "12",

}

RIS

TY - JOUR

T1 - Temperature dependence of Young’s modulus of titanium dioxide (TIO2) nanotubes: Molecular mechanics modeling

AU - Lukyanov, S. I.

AU - Bandura, A. V.

AU - Evarestov, R. A.

PY - 2015

Y1 - 2015

N2 - © 2015, Pleiades Publishing, Ltd.Temperature dependence of the Young’s modulus of cylindrical single-wall nanotubes with zigzag and armchair chiralities and consolidated-wall nanotubes has been studied by the molecular mechanics method with the use of the atom–atom potential. The nanotubes have been obtained by rolling up of crystal layers (111) of TiO2 with fluorite structure. Calculations have been performed for isothermal conditions on the basis of calculating the Helmholtz free energy of the system. The dependence of the Helmholtz free energy of nanotubes on the period has been calculated in the quasi-harmonic approximation as a result of calculation of phonon frequencies. It has been shown that the temperature dependence of the stiffness of nanotubes is determined by their chirality, and some nanotubes exibit anomalous behavior of both the Young’s modulus and the period of unit cell with variation in temperature.

AB - © 2015, Pleiades Publishing, Ltd.Temperature dependence of the Young’s modulus of cylindrical single-wall nanotubes with zigzag and armchair chiralities and consolidated-wall nanotubes has been studied by the molecular mechanics method with the use of the atom–atom potential. The nanotubes have been obtained by rolling up of crystal layers (111) of TiO2 with fluorite structure. Calculations have been performed for isothermal conditions on the basis of calculating the Helmholtz free energy of the system. The dependence of the Helmholtz free energy of nanotubes on the period has been calculated in the quasi-harmonic approximation as a result of calculation of phonon frequencies. It has been shown that the temperature dependence of the stiffness of nanotubes is determined by their chirality, and some nanotubes exibit anomalous behavior of both the Young’s modulus and the period of unit cell with variation in temperature.

U2 - 10.1134/S1063783415120239

DO - 10.1134/S1063783415120239

M3 - Article

VL - 57

SP - 2464

EP - 2472

JO - Physics of the Solid State

JF - Physics of the Solid State

SN - 1063-7834

IS - 12

ER -

ID: 3940664