TY - JOUR
T1 - Feasibility of a single-parameter description of equilibrium viscous liquid dynamics
AU - Pedersen, Ulf Rørbæk
AU - Christensen, Tage Emil
AU - Schrøder, Thomas
AU - Dyre, Jeppe C.
N1 - Paper id:: 011201
PY - 2008
Y1 - 2008
N2 - Molecular dynamics results for the dynamic Prigogine-Defay ratio are presented for two glass-forming liquids, thus evaluating the experimentally relevant quantity for testing whether metastable-equilibrium liquid dynamics is described by a single parameter to a good approximation. For the Kob-Andersen binary Lennard-Jones mixture as well as for an asymmetric dumbbell model liquid, a single-parameter description works quite well. This is confirmed by time-domain results where it is found that energy and pressure fluctuations are strongly correlated on the alpha time scale in the constant-volume, constant-temperature ensemble; similarly, energy and volume fluctuations correlate strongly in the constant-pressure, constant-temperature ensemble.
AB - Molecular dynamics results for the dynamic Prigogine-Defay ratio are presented for two glass-forming liquids, thus evaluating the experimentally relevant quantity for testing whether metastable-equilibrium liquid dynamics is described by a single parameter to a good approximation. For the Kob-Andersen binary Lennard-Jones mixture as well as for an asymmetric dumbbell model liquid, a single-parameter description works quite well. This is confirmed by time-domain results where it is found that energy and pressure fluctuations are strongly correlated on the alpha time scale in the constant-volume, constant-temperature ensemble; similarly, energy and volume fluctuations correlate strongly in the constant-pressure, constant-temperature ensemble.
U2 - 10.1103/PhysRevE.77.011201
DO - 10.1103/PhysRevE.77.011201
M3 - Journal article
SN - 1539-3755
VL - 77
JO - Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
JF - Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
IS - 1
ER -