A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flow

Journal of Chemical Physics

Volumn 122, Issue 11, 2005, Pages

  Baig, C ^a   Edwards, B J ^a   Keffer, D J ^a   Cochran, H D ^a,b  

^a University of Tennessee Knoxville   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LINEAR MOMENTA; NONEQUILIBRIUM SYSTEMS; PLANAR ELONGATIONAL FLOW (PEF); POSITION VECTORS;

ALGORITHMS; BOUNDARY CONDITIONS; COMPUTER SIMULATION; CONTINUUM MECHANICS; EQUATIONS OF MOTION; HAMILTONIANS; HEAT FLUX; HYDRODYNAMICS; PHASE SPACE METHODS; POTENTIAL ENERGY; TENSORS; VECTORS;

MOLECULAR DYNAMICS;

EID: 21044460013     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1819869     Document Type: Article

References (22)

1. W. G. Hoover, D. J. Evans, R. B. Hickman, A. J. C. Ladd, W. T. Ashurst, and B. Moran, Pnys. Rev. A 22, 1690 (1980).
2. D. J. Evans and G. P. Morriss, Phys. Rev. A 30, 1528 (1984).
3. D. J. Evans and G. P. Morriss, Statistical Mechanics of Nonequilibrium Liquids (Academic, New York, 1990).
4. B. D. Todd and P. J. Daivis, Phys. Rev. Lett. 81, 1118 (1998).
5. A. M. Kraynik and D. A. Reinelt, Int. J. Multiphase Flow 18, 1045 (1992).
6. A. Baranyai and P. T. Cummings, J. Chem. Phys. 110, 42 (1999).
7. B. D. Todd and P. J. Daivis, Comput. Phys. Commun. 117, 191 (1999).
8. B. D. Todd and P. J. Daivis, J. Chem. Phys, 112, 40 (2000).
9. M. E. Tuckerman, C. J. Mundy, S. Balasubramanian, and M. L. Klein, J. Chem. Phys. 106, 5615 (1997).
10. B. J. Edwards and M. Dressler, J. Non-Newtonian Fluid Mech. 96, 163 (2001).
11. H. Goldstein, Classical Mechanics, 2nd Ed. (Addison-Wesley, Reacling, MA, 1980).
12. A. W. Lees and S. F. Edwards, J. Phys. C 5, 1921 (1972).
13. S. Nosé, Mol. Phys. 52, 255 (1984).
14. S. Nosé, J. Chem. Phys. 81, 511 (1984).
15. W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
16. J. Delhommelle and D. J. Evans, J. Chem. Phys. 115, 43 (2001).
17. L. Lue, O. G. Jepps, J. Delhommelle, and D. J. Evans, Mol. Phys. 100, 2387 (2002).
18. C. J. Mundy, J. I. Siepmann, and M. L. Klein, J. Chem. Phys. 103, 10192 (1995).
19. J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971).
20. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
21. C. Truesdell, Meccanica 11, 196 (1976).
22. C. Truesdell, Rational Thermodynamics, 2nd ed. (Springer, New York, 1984).