Experimental study and molecular dynamics simulation of carbon nanotubes diffusion

Standard

Experimental study and molecular dynamics simulation of carbon nanotubes diffusion. / Rudyak, V. Ya; Belkin, A. A.; Krasnolutskii, S. L.

In: Journal of Physics: Conference Series, Vol. 1959, No. 1, 012039, 14.07.2021.

Research output: Contribution to journal › Conference article › peer-review

Harvard

Rudyak, VY, Belkin, AA & Krasnolutskii, SL 2021, 'Experimental study and molecular dynamics simulation of carbon nanotubes diffusion', Journal of Physics: Conference Series, vol. 1959, no. 1, 012039. https://doi.org/10.1088/1742-6596/1959/1/012039

APA

Rudyak, V. Y., Belkin, A. A., & Krasnolutskii, S. L. (2021). Experimental study and molecular dynamics simulation of carbon nanotubes diffusion. Journal of Physics: Conference Series, 1959(1), [012039]. https://doi.org/10.1088/1742-6596/1959/1/012039

Vancouver

Rudyak VY, Belkin AA, Krasnolutskii SL. Experimental study and molecular dynamics simulation of carbon nanotubes diffusion. Journal of Physics: Conference Series. 2021 Jul 14;1959(1):012039. doi: 10.1088/1742-6596/1959/1/012039

Author

Rudyak, V. Ya ; Belkin, A. A. ; Krasnolutskii, S. L. / Experimental study and molecular dynamics simulation of carbon nanotubes diffusion. In: Journal of Physics: Conference Series. 2021 ; Vol. 1959, No. 1.

BibTeX

@article{63f2b12ae81845639344713e3242aee5,

title = "Experimental study and molecular dynamics simulation of carbon nanotubes diffusion",

abstract = "The diffusion of single-walled carbon nanotubes was studied experimentally and by the molecular dynamics method. The experiments used the dynamic light scattering method. Distributions and average values of diffusion coefficients of molecules of surfactants and nanotubes in nanofluids based on water were obtained. It was found that these distributions, even at low concentrations of nanotubes, can have two maxima corresponding to tubes of different sizes. The effect of centrifugation on the size distribution of nanotubes has been studied. The diffusion of one-dimensional and three-dimensional models of nanotubes in water has been studied by the molecular dynamics method. The velocity autocorrelation functions of of nanotubes of different lengths have been calculated. The presence of a negative region of these functions for small nanotubes has been established. The dependencies of the diffusion coefficient on the length are determined for both models used.",

author = "Rudyak, {V. Ya} and Belkin, {A. A.} and Krasnolutskii, {S. L.}",

note = "Funding Information: This work was partially supported by the Russian Science Foundation (grant № 20-19-00043). Publisher Copyright: {\textcopyright} 2021 Published under licence by IOP Publishing Ltd.; International Scientific Conference on Mechanics {"}The Ninth Polyakhov's Reading{"}, ISCM 2021 ; Conference date: 09-03-2021 Through 12-03-2021",

year = "2021",

month = jul,

day = "14",

doi = "10.1088/1742-6596/1959/1/012039",

language = "English",

volume = "1959",

journal = "Journal of Physics: Conference Series",

issn = "1742-6588",

publisher = "IOP Publishing Ltd.",

number = "1",

}

RIS

TY - JOUR

T1 - Experimental study and molecular dynamics simulation of carbon nanotubes diffusion

AU - Rudyak, V. Ya

AU - Belkin, A. A.

AU - Krasnolutskii, S. L.

PY - 2021/7/14

Y1 - 2021/7/14

N2 - The diffusion of single-walled carbon nanotubes was studied experimentally and by the molecular dynamics method. The experiments used the dynamic light scattering method. Distributions and average values of diffusion coefficients of molecules of surfactants and nanotubes in nanofluids based on water were obtained. It was found that these distributions, even at low concentrations of nanotubes, can have two maxima corresponding to tubes of different sizes. The effect of centrifugation on the size distribution of nanotubes has been studied. The diffusion of one-dimensional and three-dimensional models of nanotubes in water has been studied by the molecular dynamics method. The velocity autocorrelation functions of of nanotubes of different lengths have been calculated. The presence of a negative region of these functions for small nanotubes has been established. The dependencies of the diffusion coefficient on the length are determined for both models used.

AB - The diffusion of single-walled carbon nanotubes was studied experimentally and by the molecular dynamics method. The experiments used the dynamic light scattering method. Distributions and average values of diffusion coefficients of molecules of surfactants and nanotubes in nanofluids based on water were obtained. It was found that these distributions, even at low concentrations of nanotubes, can have two maxima corresponding to tubes of different sizes. The effect of centrifugation on the size distribution of nanotubes has been studied. The diffusion of one-dimensional and three-dimensional models of nanotubes in water has been studied by the molecular dynamics method. The velocity autocorrelation functions of of nanotubes of different lengths have been calculated. The presence of a negative region of these functions for small nanotubes has been established. The dependencies of the diffusion coefficient on the length are determined for both models used.

UR - http://www.scopus.com/inward/record.url?scp=85111972335&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/1959/1/012039

DO - 10.1088/1742-6596/1959/1/012039

M3 - Conference article

AN - SCOPUS:85111972335

VL - 1959

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

IS - 1

M1 - 012039

T2 - International Scientific Conference on Mechanics "The Ninth Polyakhov's Reading", ISCM 2021

Y2 - 9 March 2021 through 12 March 2021

ER -

ID: 33988314