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Frit projekt, 3. modul, 2009, id:263
Vejleder:
Findes på RUb:Ja
Abstract
English abstract
Dynamics and structure of a viscous liquid is studied through computer simulation in the NVT-ensemble. The simulated liquid is a binary Kob & Andersen mixture interacting through modified Lennard-Jones potentials. The modification is that only the repulsive part of the potential between AA and BB interactions are included whereas there is an attractive part in the AB interactions. The liquid is found to be strongly correlating for the majority of state points investigated. This means that the correlation coefficient between the equilibrium fluctuations in virial and potential energy is above 0.9. The liquid obeys density scaling to good approximation. This means that the characteristic time in reduced units of the systems only depends on the densityp p, and the temperature T, through (formel) where(formel) is a constant that can be determined form the equilibrium fluctuations in virial and potential energy. There is found evidence of the existence of isomorphic state points. These are state points with the same structure and dynamics in reduced units. It is found that the explanation of how to find these state points is incomplete. Two models explaining the non-Arrhenius behavior of viscous liquids are investigated. It is found that the shoving model is inconsistent with the result of the simulations whereas the Landscape equivalent of the shoving model can not be rejected.

Database opslag den: 21-09-2017