The role of the torsional potential in relaxation dynamics: A molecular dynamics study of polyethylene

Computational and Theoretical Polymer Science

Volumn 8, Issue 1-2, 1998, Pages 93-98

  Gee, Richard H ^a  

^a Department of Chemistry Snow College ^*  (United States)

Author keywords

Glass transition temperature; Molecular dynamics; Torsional barrier

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; CORRELATION METHODS; FUNCTIONS; GLASS TRANSITION; MOLECULAR DYNAMICS; RELAXATION PROCESSES; THERMAL EFFECTS;

AUTOCORRELATION FUNCTION; TORSIONAL POTENTIAL;

POLYETHYLENES;

EID: 0031624218     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(98)00020-8     Document Type: Article

References (14)

1. Rigby, D.and Roc, R. J., J. Chem. Phys., 1987, 87, 7285.
2. Rigby, D.and Roe, R. J., J. Chem. Phys., 1988, 89, 5280.
3. Rigby, D.and Roe, R. J., Macromolecules, 1989, 22, 2259.
4. Rigby, D.and Roe, R. J., Macromolecules, 1990, 23, 5312.
5. Roe, R.J., in Atomistic Modeling of Physical Properties, Advances in Polymer Science, Vol. 116, eds L. Monnerie and U. Suter. Springer, 1994, 111-144.
6. Pant, P.V. K., Han, J., Smith, G. D. and Boyd, R. H., J. Chem. Phys., 1993, 99, 597.
7. Boyd, R.H., Gee, R. H., Han, J. and Jin, Y., J. Chem. Phys., 1994, 101, 788.
8. Han, J., Gee, R. H. and Boyd, R. H., Macromolecules, 1994, 27, 7781.
9. Toxvaerd, S., J. Chem. Phys., 1990, 93, 4290.
10. Nose, S., J. Chem. Phys., 1984, 81, 511.
11. Takeuchi, H.and Okazaki, K., J. Chem. Phys., 1990, 92, 5643.
12. Weber, T.A. and Helfand, E., J. Chem. Phys., 1979, 71, 4760.
13. Helfand, E., Wasserman, Z. R. and Weber, T., Macromolecules, 1980, 13, 526.
14. Helfand, E., J. Chem. Phys., 1971, 54, 4651.