Configurational thermostats for molecular systems

Molecular Physics

Volumn 100, Issue 14, 2002, Pages 2387-2395

  Lue, L ^a   Jepps, O G ^b   Delhommelle, Jerome ^b   Evans, D J ^b  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BOUNDARY CONDITIONS; COMPUTER SIMULATION; FLUID MECHANICS; KINETIC ENERGY; STRAIN RATE; THERMODYNAMICS; THERMOSTATS;

NON-EQUILIBRIUM MOLECULAR DYNAMICS (NEMD);

MOLECULAR DYNAMICS;

EID: 0037143371     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970210122145     Document Type: Article

References (25)

1. Evans, D.J., and Morriss, G.P., 1990, Statistical Mechanics of Nonequilibrium Liquids, (London: Academic Press); see also: http://rsc.anu.edu.au/~evans/evansmorrissbook.htm.
2. Travis, K.P., Daivis, P.J., and Evans, D.J., 1995, J. chem. Phys., 103, 10638.
3. Travis, K.P., Daivis, P.J., and Evans, D.J., 1996, J. chem. Phys., 105, 3893.
4. Rugh, H.H., 1997, Phys. Rev. Lett., 78, 772; 1998, J. Phys. A, 31, 7761.
5. Rugh, H.H., 1997, Phys. Rev. Lett., 78, 772; 1998, J. Phys. A, 31, 7761.
6. Butler, B.D., Ayton, G., Jepps, O.G., and Evans, D.J., 1998, J. chem. Phys., 109, 6519.
7. Ayton, G., Jeeps, O.G., and Evans, D.J., 1999, Molec. Phys., 96, 915.
8. Jepps, O.G., Ayton, G., and Evans, D.J., 2000, Phys. Rev. E, 62, 4757.
9. Lue, L., and Evans, D.J., 2000, Phys. Rev. E, 62, 4764.
10. Delhommelle, J., and Evans, D.J., 2001, J. chem. Phys., 114, 6229.
11. Delhommelle, J., and Evans, D.J., 2001, J. chem. Phys., 114, 6236.
12. Erpenbeck, J.J., 1984, Phys. Rev. Lett., 52, 1333.
13. Evans, D.J., and Morriss, G.P., 1986, Phys. Rev. Lett., 56, 2172.
14. Hoover, W.G., 1985, Phys. Rev. A, 31, 1695.
15. Weeks, J.W., Chandler, D., and Anderson, H.C., 1971, J. chem. Phys., 34, 5237.
16. Morriss, G.P., and Evans, D.J., 1991, Computer Phys. Commun., 62, 267.
17. Baranyai, A., and Evans, D.J., 1990, Molec. Phys., 70, 53.
18. Smit, B., Karaborni, S., and Siepmann, J.I., 1995, J. chem. Phys., 102, 2126.
19. Mundy, C.J., Siepmann, J.I., and Klein, M.L., 1995, J. chem. Phys., 102, 3376.
20. Cui, S.T., Cummings, P.T., and Cochran, H.D., 1996, J. chem. Phys., 104, 255.
21. Cui, S.T., Gupta, S.A., Cummings, P.T., and Cochran, H.D., 1996, J. chem. Phys., 105, 1214.
22. Allen, M.P., and Tildesley, D.J., 1987, Computer Simulation of Liquids (Oxford University Press).
23. Mondello, M., and Grest, G.S., 1995, J. chem. Phys., 103, 7156.
24. Delhommelle, J., and Evans, D.J., 2001, Molec. Phys., 99, 1825.
25. Delhommelle, J., and Evans, D.J., 2001, J. chem. Phys., 115, 43.