David J. Keffer

Prof. David J. Keffer

University of Tennesee, Knoxville
orcid

Research Focus & Metrics

Academic Career Length

31Years (1996-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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9 February 2007 in The Journal of Physical Chemistry B
Verified
Journal Article
Closed access
SCShengting Cui
Shengting Cui
JLJunwu Liu
Junwu Liu
MSMyvizhi Esai Selvan
Myvizhi Esai Selvan
DKDavid J. Keffer
David J. Keffer
Brian EdwardsBrian Edwards
Brian Edwards
WSWilliam V. Steele
William V. Steele

1 October 2008 in The Journal of Physical Chemistry B
Verified
Journal Article
Closed access
SCShengting Cui
Shengting Cui
JLJunwu Liu
Junwu Liu
MSMyvizhi Esai Selvan
Myvizhi Esai Selvan
SPStephen J. Paddison
Stephen J. Paddison
DKDavid J. Keffer
David J. Keffer
Brian EdwardsBrian Edwards
Brian Edwards

3 June 2010 in The Journal of Physical Chemistry C
Verified
Journal Article
Closed access
JLJunwu Liu
Junwu Liu
NSNethika Suraweera
Nethika Suraweera
DKDavid J. Keffer
David J. Keffer
SCShengting Cui
Shengting Cui
SPStephen J. Paddison
Stephen J. Paddison

7 July 2014 in ACS Sustainable Chemistry & Engineering
Verified
Journal Article
Closed access
SCSabornie Chatterjee
Sabornie Chatterjee
EJEric B. Jones
Eric B. Jones
ACAmy C. Clingenpeel
Amy C. Clingenpeel
AMAmy M. McKenna
Amy M. McKenna
OROrlando Rios
Orlando Rios
AJAlexander Johs
Alexander Johs

1 August 2013 in Chemical Engineering Journal
Verified
Journal Article
Closed access
HLHyeon-Hui Lee
Hyeon-Hui Lee
HKHae-Jung Kim
Hae-Jung Kim
YSYao Shi
Yao Shi
DKDavid J. Keffer
David J. Keffer
CLChang-Ha Lee
Chang-Ha Lee

15 March 2005 in The Journal of Chemical Physics
Verified
Journal Article
Closed access
CBChunggi Baig
Chunggi Baig
Brian EdwardsBrian Edwards
Brian Edwards
DKDavid J. Keffer
David J. Keffer
HCH. D. Cochran
H. D. Cochran
We present nonequilibrium molecular dynamics simulations of planar elongational flow (PEF) by an algorithm proposed by Tuckerman et al. [J. Chem. Phys. 106, 5615 (1997)] and theoretically elaborated by Edwards and Dressler [J. Non-Newtonian, Fluid Mech. 96, 163 (2001)], which we shall call the proper-SLLOD algorithm, or p-SLLOD for short. [For background on names of algorithms see W. G. Hoover, D. J. Evans, R. B. Hickman, A. J. C. Ladd, W. T. Ashurst, and B. Moran, Phys. Rev. A 22, 1690 (1980) and D. J. Evans and G. P. Morriss, Phys. Rev. A 30, 1528 (1984).] We show that there are two sources for the exponential growth in PEF of the total linear momentum of the system in the contracting direction, which has been previously observed using the so-called SLLOD algorithm. The first comes from the SLLOD algorithm itself, and the second from the implementation of the Kraynik and Reinelt [Int. J. Multiphase Flow 18, 1045 (1992)] boundary conditions. Using the p-SLLOD algorithm (to eliminate the first source) implemented with our simulation strategy (to eliminate the second) in PEF simulations, we no longer observe the exponential growth. By analyzing the equations of motion, we also demonstrate that both the SLLOD and the DOLLS algorithms are intrinsically unsuitable for representing a nonequilibrium system with elongational flow. However, the p-SLLOD algorithm has a rigorously canonical structure in laboratory phase space, and thus can represent a nonequilibrium system not only for elongational flow but also for a general flow.