Cited Article: Sokhan VP. Fluid flow in nanopores: Accurate boundary conditions for carbon nanotubes
Alert Expires: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
========================================================================
Note: Instructions on how to purchase the full text of an article and Help Desk Contact information are at the end of the e-mail.
========================================================================
*Record 1 of 1.
*View Full Record: http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000279740200044
*Order Full Text [ ]
Title:
Thermostating highly confined fluids
Authors:
Bernardi, S; Todd, BD; Searles, DJ
Author Full Names:
Bernardi, Stefano; Todd, B. D.; Searles, Debra J.
Source:
JOURNAL OF CHEMICAL PHYSICS 132 (24): Art. No. 244706 JUN 28 2010
Language:
English
Document Type:
Article
KeyWords Plus:
NONEQUILIBRIUM-MOLECULAR-DYNAMICS; CONJUGATE-PAIRING RULE; TRANSPORT-COEFFICIENTS; LYAPUNOV INSTABILITY; BOUNDARY-CONDITIONS; CARBON NANOTUBES; FLOW; SYSTEMS; STATES; EQUILIBRIUM
Abstract:
In this work we show how different use of thermostating devices and modeling of walls influence the mechanical and dynamical properties of confined nanofluids. We consider a two dimensional fluid undergoing Couette flow using nonequilibrium molecular dynamics simulations. Because the system is highly inhomogeneous, the density shows strong fluctuations across the channel. We compare the dynamics produced by applying a thermostating device directly to the fluid with that obtained when the wall is thermostated, considering also the effects of using rigid walls. This comparison involves an analysis of the chaoticity of the fluid and evaluation of mechanical properties across the channel. We look at two thermostating devices with either rigid or vibrating atomic walls and compare them with a system only thermostated by conduction through vibrating atomic walls. Sensitive changes are observed in the xy component of the pressure tensor, streaming velocity, and density across the p!
ore and the Lyapunov localization of the fluid. We also find that the fluid slip can be significantly reduced by rigid walls. Our results suggest caution in interpreting the results of systems in which fluid atoms are thermostated and/or wall atoms are constrained to be rigid, such as, for example, water inside carbon nanotubes. (C) 2010 American Institute of Physics. [doi:10.1063/1.3450302]
Reprint Address:
Bernardi, S, Swinburne Univ Technol, Ctr Mol Simulat, Hawthorn, Vic 3122, Australia.
Research Institution addresses:
[Bernardi, Stefano; Todd, B. D.] Swinburne Univ Technol, Ctr Mol Simulat, Hawthorn, Vic 3122, Australia; [Searles, Debra J.] Griffith Univ, Sch Biomol & Phys Sci, Queensland Micro & Nanotechnol Ctr, Brisbane, Qld 4111, Australia
E-mail Address:
sbernardi@ict.swin.edu.au; btodd@swin.edu.au; d.bernhardt@griffith.edu.au
Cited References:
ALLEN MP, 1987, COMPUTER SIMULATION.
BENETTIN G, 1980, MECCANICA, V15, P21.
BENETTIN G, 1980, MECCANICA, V15, P9.
BERNARDI S, 2010, J CHEM PHYS, V132, ARTN 244508.
CASASVAZQUEZ J, 2003, REP PROG PHYS, V66, P1937.
COHEN EGD, 1995, PHYSICA A, V213, P293.
DEGROOT SR, 1984, NONEQUILIBRIUM THERM.
ECKMANN JP, 2005, J STAT PHYS, V118, P813, DOI 10.1007/s10955-004-2687-4.
ERPENBECK JJ, 1984, PHYS REV LETT, V52, P1333.
EVANS DJ, 1983, PHYS REV A, V28, P1016.
EVANS DJ, 1986, PHYS REV LETT, V56, P2172.
EVANS DJ, 1989, J STAT PHYS, V57, P745.
EVANS DJ, 1990, STAT MECH NONEQUILIB.
EVANS DJ, 2002, J STAT PHYS, V109, P895.
FORSTER C, 2005, NEW J PHYS, V7, ARTN 32.
FRASCOLI F, 2006, PHYS REV E 2, V73, ARTN 046206.
HOOVER WG, 1985, PHYS REV A, V31, P1695.
HOOVER WG, 2008, PHYS REV E 2, V78, ARTN 046701.
HOOVER WG, 2009, PHYS REV E 2, V79, ARTN 046705.
LEES AW, 1972, J PHYS C SOLID STATE, V5, P1921.
LENG YS, 2005, PHYS REV LETT, V94, ARTN 026101.
LIEM SY, 1992, PHYS REV A, V45, P3706.
MILANOVIC L, 1998, MOL PHYS, V95, P281.
MORRISS GP, 1988, PHYS REV A, V37, P2118.
MORRISS GP, 2002, PHYS REV E, V65, UNSP 017201.
POSCH HA, 1988, PHYS REV A, V38, P473.
POSCH HA, 1989, PHYS REV A, V39, P2175.
POSCH HA, 2004, PHYSICA D, V187, P281, DOI 10.1016/j.physd.2003.09.015.
POSCHL HA, 2006, J PHYS CONF SER, V31, P9, DOI 10.1088/1742-6596/31/1/002.
RYCKAERT JP, 1988, PHYS REV LETT, V60, P128.
SARMAN S, 1992, PHYS REV A, V45, P2233.
SEARLES DJ, 1998, CHAOS, V8, P337.
SHIMADA I, 1979, PROG THEOR PHYS, V61, P1605.
SOKHAN VP, 2001, J CHEM PHYS, V115, P3878.
SOKHAN VP, 2002, J CHEM PHYS, V117, P8531, DOI 10.1063/1.1512643.
TANIGUCHI T, 2002, PHYS REV E 2, V66, ARTN 066203.
TANIGUCHI T, 2006, PHYS REV E 2, V73, ARTN 036208.
THOMAS JA, 2008, NANO LETT, V8, P2788, DOI 10.1021/nl8013617.
TODD BD, 1995, PHYS REV E, V52, P1627.
TODD BD, 1997, PHYS REV E A, V55, P2800.
TODD BD, 2007, MOL SIMULAT, V33, P189, DOI 10.1080/08927020601026629.
TRAVIS KP, 1997, PHYS REV E, V55, P4288.
WEEKS JD, 1971, J CHEM PHYS, V54, P5237.
Cited Reference Count:
43
Times Cited:
0
Publisher:
AMER INST PHYSICS; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
Subject Category:
Physics, Atomic, Molecular & Chemical
ISSN:
0021-9606
DOI:
10.1063/1.3450302
IDS Number:
623LC
========================================================================
*Order Full Text*
All Customers
--------------
Please contact your library administrator, or person(s) responsible for
document delivery, to find out more about your organization's policy for
obtaining the full text of the above articles. If your organization does
not have a current document delivery provider, your administrator can
contact ISI Document Solution at service@isidoc.com, or call 800-603-4367
or 734-459-8565.
IDS Customers
--------------
IDS customers can purchase the full text of an article (having page number,
volume, and issue information) by returning this ENTIRE message as a Reply
to Sender or Forward to orders@isidoc.com. Mark your choices with an X in
the "Order Full Text: []" brackets for each item. For example, [X].
Please enter your account number here:
========================================================================
*Help Desk Contact Information*
If you have any questions, please visit the Thomson Scientific Technical Support Contact Information Web page:
http://www.thomsonscientific.com/support/techsupport
========================================================================
No comments:
Post a Comment