Brownian dynamics simulation of rigid bodies and segmented polymer chains. Use of Cartesian rotation vectors as the generalized coordinates describing angular orientations

Physica A: Statistical Mechanics and its Applications

Volumn 294, Issue 3-4, 2001, Pages 323-339

  Nalum Naess, Stine ^a   Magne Adland, Hans ^a   Mikkelsen, Arne ^a   Elgsaeter, Arnljot ^a  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

Brownian dynamics; Rotation vectors; Rotational orientation; Segmented polymers

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); POLYMERS; VECTORS;

CARTESIAN ROTATION VECTORS; SEGMENTED POLYMER CHAINS;

BROWNIAN MOVEMENT;

EID: 0343289460     PISSN: 03784371     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0378-4371(01)00027-9     Document Type: Article

References (19)

1. Goldstein H. Classical Mechanics. 2nd Edition:1980;Addison-Wesley, Reading, MA.
2. Corben H.C., Stehle P. Classical Mechanics. 2nd Edition:1977;Dover, New York.
3. Barojas J., Levesque D., Quentrec B. Phys. Rev. A. 7:1973;1092.
4. Levesque D., Weis J.J., Patey G.N. Mol. Phys. 51:1984;333.
5. Cheung P.S.Y., Powles J.G. Mol. Phys. 30:1975;921.
6. Singer K., Taylor A., Singer J.V.L. Mol. Phys. 33:1977;1757.
7. Steinhauser O. Chem. Phys. Lett. 82:1981;153.
8. Evans D.J. Mol. Phys. 34:1977;317.
9. Allen M.P., Tildesley D.J. Computer Simulations of Liquids. 1987;Clarendon, Oxford.
10. Rapaport D.C. The Art of Molecular Dynamics Simulation. 1995;Cambridge University Press, Cambridge.
11. Öttinger H.C. Stochastic Processes in Polymeric Fluids. 1996;Springer, Berlin.
12. Mikkelsen A., Knudsen K.D., Elgsaeter A. Physica A. 253:1998;66.
13. Antosiewicz J., Grycuk T., Porschke D. J. Chem. Phys. 95:1991;1354.
14. Bird R.B., Curtiss C.F., Armstrong R.C., Hassager O. Dynamics of Polymeric Liquids, Vol. 2, Kinetic Theory. 2nd Edition:1987;Wiley, New York.
15. Nyland G.H., Skjetne P., Mikkelsen A., Elgsaeter A. J. Chem. Phys. 105:1996;1198.
16. Klaveness E., Elgsaeter A. J. Chem. Phys. 110:1999;11 608.
17. Fixman M. J. Chem. Phys. 69:1978;1527.
18. Hinch E.J. J. Fluid Mech. 271:1994;219.
19. Kim S., Karrila S.J. Microhydrodynamics. 1991;Butterworth-Heinemann, Boston.