Glassy dynamics in supercooled-liquid and glassy ethanol: A molecular dynamics study
Abstract
Static and dynamic properties of supercooled liquid and glassy ethanol are evaluated from computer molecular dynamics simulations and compared with experimental data whenever possible. In particular, a comparison with recent neutron-scattering data is done and the results indicate that the relatively simple model here employed is able to reproduce most of the observed features, at least on semiquantitative grounds. Special attention is paid to monitor how the relevant dynamical properties change through the glass transition region and to relate the phenomena observed with the microscopic information provided by the simulations.
- Publication:
-
Physical Review B
- Pub Date:
- March 2000
- DOI:
- 10.1103/PhysRevB.61.6654
- Bibcode:
- 2000PhRvB..61.6654G
- Keywords:
-
- 64.70.Pf;
- 61.20.Lc;
- 61.20.Ja;
- 02.70.Ns;
- Glass transitions;
- Time-dependent properties;
- relaxation;
- Computer simulation of liquid structure;
- Molecular dynamics and particle methods