Study of non-reactive scattering from graphene using molecular beam experiments and molecular dynamics

Neil A. Mehta, Deborah A. Levin, Vanessa J. Murray, Timothy K. Minton

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Conventional gas surface interaction (GSI) models and molecular dynamics (MD) are used to generate the gas scattering angle and post-collision kinetic energy distribution, which is compared with the experimental values obtained from molecular beam scattering experiments. While conventional GSI models were unable to capture the experimental scattering distributions MD simulations were able to generate reasonable agreement. MD simulations also allowed the trajectories to be classified into single, multiple collisions with escape, and multiple collisions without escape events.

Original languageEnglish (US)
Title of host publication30th International Symposium on Rarefied Gas Dynamics, RGD 2016
EditorsHenning Struchtrup, Andrew Ketsdever
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735414488
DOIs
StatePublished - Nov 15 2016
Event30th International Symposium on Rarefied Gas Dynamics, RGD 2016 - Victoria, Canada
Duration: Jul 10 2016Jul 15 2016

Publication series

NameAIP Conference Proceedings
Volume1786
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other30th International Symposium on Rarefied Gas Dynamics, RGD 2016
CountryCanada
CityVictoria
Period7/10/167/15/16

Fingerprint

molecular beams
graphene
molecular dynamics
surface reactions
escape
collisions
scattering
gases
dynamic models
energy distribution
simulation
kinetic energy
trajectories

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Mehta, N. A., Levin, D. A., Murray, V. J., & Minton, T. K. (2016). Study of non-reactive scattering from graphene using molecular beam experiments and molecular dynamics. In H. Struchtrup, & A. Ketsdever (Eds.), 30th International Symposium on Rarefied Gas Dynamics, RGD 2016 [100003] (AIP Conference Proceedings; Vol. 1786). American Institute of Physics Inc.. https://doi.org/10.1063/1.4967614

Study of non-reactive scattering from graphene using molecular beam experiments and molecular dynamics. / Mehta, Neil A.; Levin, Deborah A.; Murray, Vanessa J.; Minton, Timothy K.

30th International Symposium on Rarefied Gas Dynamics, RGD 2016. ed. / Henning Struchtrup; Andrew Ketsdever. American Institute of Physics Inc., 2016. 100003 (AIP Conference Proceedings; Vol. 1786).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Mehta, NA, Levin, DA, Murray, VJ & Minton, TK 2016, Study of non-reactive scattering from graphene using molecular beam experiments and molecular dynamics. in H Struchtrup & A Ketsdever (eds), 30th International Symposium on Rarefied Gas Dynamics, RGD 2016., 100003, AIP Conference Proceedings, vol. 1786, American Institute of Physics Inc., 30th International Symposium on Rarefied Gas Dynamics, RGD 2016, Victoria, Canada, 7/10/16. https://doi.org/10.1063/1.4967614
Mehta NA, Levin DA, Murray VJ, Minton TK. Study of non-reactive scattering from graphene using molecular beam experiments and molecular dynamics. In Struchtrup H, Ketsdever A, editors, 30th International Symposium on Rarefied Gas Dynamics, RGD 2016. American Institute of Physics Inc. 2016. 100003. (AIP Conference Proceedings). https://doi.org/10.1063/1.4967614
Mehta, Neil A. ; Levin, Deborah A. ; Murray, Vanessa J. ; Minton, Timothy K. / Study of non-reactive scattering from graphene using molecular beam experiments and molecular dynamics. 30th International Symposium on Rarefied Gas Dynamics, RGD 2016. editor / Henning Struchtrup ; Andrew Ketsdever. American Institute of Physics Inc., 2016. (AIP Conference Proceedings).
@inproceedings{face788fae3f43dd96a9870e8c4920d6,
title = "Study of non-reactive scattering from graphene using molecular beam experiments and molecular dynamics",
abstract = "Conventional gas surface interaction (GSI) models and molecular dynamics (MD) are used to generate the gas scattering angle and post-collision kinetic energy distribution, which is compared with the experimental values obtained from molecular beam scattering experiments. While conventional GSI models were unable to capture the experimental scattering distributions MD simulations were able to generate reasonable agreement. MD simulations also allowed the trajectories to be classified into single, multiple collisions with escape, and multiple collisions without escape events.",
author = "Mehta, {Neil A.} and Levin, {Deborah A.} and Murray, {Vanessa J.} and Minton, {Timothy K.}",
year = "2016",
month = "11",
day = "15",
doi = "10.1063/1.4967614",
language = "English (US)",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics Inc.",
editor = "Henning Struchtrup and Andrew Ketsdever",
booktitle = "30th International Symposium on Rarefied Gas Dynamics, RGD 2016",

}

TY - GEN

T1 - Study of non-reactive scattering from graphene using molecular beam experiments and molecular dynamics

AU - Mehta, Neil A.

AU - Levin, Deborah A.

AU - Murray, Vanessa J.

AU - Minton, Timothy K.

PY - 2016/11/15

Y1 - 2016/11/15

N2 - Conventional gas surface interaction (GSI) models and molecular dynamics (MD) are used to generate the gas scattering angle and post-collision kinetic energy distribution, which is compared with the experimental values obtained from molecular beam scattering experiments. While conventional GSI models were unable to capture the experimental scattering distributions MD simulations were able to generate reasonable agreement. MD simulations also allowed the trajectories to be classified into single, multiple collisions with escape, and multiple collisions without escape events.

AB - Conventional gas surface interaction (GSI) models and molecular dynamics (MD) are used to generate the gas scattering angle and post-collision kinetic energy distribution, which is compared with the experimental values obtained from molecular beam scattering experiments. While conventional GSI models were unable to capture the experimental scattering distributions MD simulations were able to generate reasonable agreement. MD simulations also allowed the trajectories to be classified into single, multiple collisions with escape, and multiple collisions without escape events.

UR - http://www.scopus.com/inward/record.url?scp=85008939223&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85008939223&partnerID=8YFLogxK

U2 - 10.1063/1.4967614

DO - 10.1063/1.4967614

M3 - Conference contribution

AN - SCOPUS:85008939223

T3 - AIP Conference Proceedings

BT - 30th International Symposium on Rarefied Gas Dynamics, RGD 2016

A2 - Struchtrup, Henning

A2 - Ketsdever, Andrew

PB - American Institute of Physics Inc.

ER -