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Rheological and structural studies of liquid decane, hexadecane, and tetracosane under planar elongational flow using nonequilibrium molecular-dynamics simulations.
Baig C, Edwards BJ, Keffer DJ, Cochran HD. Baig C, et al. J Chem Phys. 2005 May 8;122(18):184906. doi: 10.1063/1.1897373. J Chem Phys. 2005. PMID: 15918764
The underlying NEMD algorithm employed is the so-called p-SLLOD algorithm [C. Baig, B. J. Edwards, D. J. Keffer, and H. D. Cochran, J. Chem. Phys. 122, 114103 (2005)]. ...
The underlying NEMD algorithm employed is the so-called p-SLLOD algorithm [C. Baig, B. J. Edwards, D. J. Keffer, and H. …
A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flow.
Baig C, Edwards BJ, Keffer DJ, Cochran HD. Baig C, et al. J Chem Phys. 2005 Mar 15;122(11):114103. doi: 10.1063/1.1819869. J Chem Phys. 2005. PMID: 15836197
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 ( …
Non-Newtonian, Fluid Mech. 96, 163 (2001)], which we shall call the proper-SLLOD algorithm, or p-SLLOD for short. [For background on names o …
An examination of the validity of nonequilibrium molecular-dynamics simulation algorithms for arbitrary steady-state flows.
Edwards BJ, Baig C, Keffer DJ. Edwards BJ, et al. J Chem Phys. 2005 Sep 15;123(11):114106. doi: 10.1063/1.2035079. J Chem Phys. 2005. PMID: 16392550
Following the same procedure used to establish SLLOD as the valid algorithm for planar Couette flow [D. J. Evans and E. P. Morriss, Phys. Rev. A 30, 1528 (1984)], it is demonstrated that the p-SLLOD algorithm is valid for arbitrary flows and produces the correct non …
Following the same procedure used to establish SLLOD as the valid algorithm for planar Couette flow [D. J. Evans and E. P. Mor …