Open Access
Journal of Physics: Conference Series, volume 946, issue 1, pages 12110
Nanostructures nucleation in carbon-metal gaseous phase: A molecular dynamics study
Publication type: Journal Article
Publication date: 2018-01-01
Quartile SCImago
— Quartile WOS
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Impact factor: —
ISSN: 17426588, 17426596
General Physics and Astronomy
Abstract
We perform nonequilibrium molecular dynamics simulation of carbon nanoclusters nucleation and early stages of growth from the gaseous phase. We analyze the catalytic effect of iron atoms on the nucleation kinetics and structure of the resultant nanoparticles. Reactive Force Field (ReaxFF) is used in the simulations for the description of bond formation and dissociation during the nucleation process at the nanoscale. The catalytic effect of iron reveals itself even on nanosecond simulation times: iron atoms accelerate the process of clustering but result in less graphitized carbon structures.
Citations by journals
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1
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Diamond and Related Materials
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Diamond and Related Materials
1 publication, 50%
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RSC Advances
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RSC Advances
1 publication, 50%
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1
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Citations by publishers
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1
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Elsevier
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Elsevier
1 publication, 50%
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
1 publication, 50%
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1
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Orekhov N. D. et al. Nanostructures nucleation in carbon-metal gaseous phase: A molecular dynamics study // Journal of Physics: Conference Series. 2018. Vol. 946. No. 1. p. 12110.
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Orekhov N. D., Stegailov V. V., Galiullina G. M., Orekhov N. D., Stegailov V. Nanostructures nucleation in carbon-metal gaseous phase: A molecular dynamics study // Journal of Physics: Conference Series. 2018. Vol. 946. No. 1. p. 12110.
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TY - JOUR
DO - 10.1088/1742-6596/946/1/012110
UR - https://doi.org/10.1088%2F1742-6596%2F946%2F1%2F012110
TI - Nanostructures nucleation in carbon-metal gaseous phase: A molecular dynamics study
T2 - Journal of Physics: Conference Series
AU - Orekhov, N D
AU - Stegailov, V V
AU - Galiullina, G M
AU - Orekhov, Nikita D.
AU - Stegailov, Vladimir V.
PY - 2018
DA - 2018/01/01 00:00:00
PB - IOP Publishing
SP - 12110
IS - 1
VL - 946
SN - 1742-6588
SN - 1742-6596
ER -
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@article{2018_Orekhov,
author = {N D Orekhov and V V Stegailov and G M Galiullina and Nikita D. Orekhov and Vladimir V. Stegailov},
title = {Nanostructures nucleation in carbon-metal gaseous phase: A molecular dynamics study},
journal = {Journal of Physics: Conference Series},
year = {2018},
volume = {946},
publisher = {IOP Publishing},
month = {jan},
url = {https://doi.org/10.1088%2F1742-6596%2F946%2F1%2F012110},
number = {1},
pages = {12110},
doi = {10.1088/1742-6596/946/1/012110}
}
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Orekhov, N. D., et al. “Nanostructures nucleation in carbon-metal gaseous phase: A molecular dynamics study.” Journal of Physics: Conference Series, vol. 946, no. 1, Jan. 2018, p. 12110. https://doi.org/10.1088%2F1742-6596%2F946%2F1%2F012110.
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