As mentioned in the Single Molecule discussion, we are interested in understanding the role of the probe in single molecule fluorescence experiments on small molecule glass formers and clarifying the information content of such experiments. In particular, we would like to understand under what circumstances probes can be expected to mirror, reflect, or even alter the dynamics of their hosts.
Molecular dynamics (MD) simulations are a suitable means to investigate this problem in simple glassy systems, since such simulations allow independent variation of the properties of the probe or the host system followed by indepedent monitoring of the behavior of each.
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| Paricle trajectories from MD simulations of a set of spheres at a temperature at which these systems exhibit glassy behavior. In the presence of a spherical probe with a diameter twice that of the larger of the host particles (left) the surrounding particles exhibit heterogeneities typical of a probeless system. In the presence of a spherical probe with a diameter five times that of the host particles (right), the particles surrounding the probe are noticeably more mobile than are particles further from the probe. |
Would you like to learn more? If so, contact Stephan Mackowiak.
