Molecular correlations in a supercooled liquid

Structural relaxation in a supercooled molecular liquid

– We perform molecular-dynamics simulations of a molecular system in supercooled states for different values of inertia parameters to provide evidence that the long-time dynamics depends only on the equilibrium structure. This observation is consistent with the prediction of the mode-coupling theory for the glass transition and with the hypothesis that the potential energylandscape controls the...

Dynamics in a supercooled molecular liquid: theory and simulations.

We report extensive simulations of liquid supercooled states for a simple three-site molecular model, introduced by Lewis and Wahnström [Phys. Rev. E 50, 3865 (1994)] to mimic the behavior of orthoterphenyl. The large system size and the long simulation length allow us to calculate very precisely (in a large q-vector range) self-correlation and collective correlation functions, providing a clea...

Elastic Behavior in a Supercooled Liquid - analysis

Stringlike Cooperative Motion in a Supercooled Liquid

Claudio Donati,1 Jack F. Douglas,1,2 Walter Kob,3 Steven J. Plimpton,4 Peter H. Poole,5 and Sharon C. Glotzer1,2,* 1Center for Theoretical and Computational Materials Science, NIST, Gaithersburg, Maryland 20899 2Polymers Division, NIST, Gaithersburg, Maryland 20899 3Institut für Physik, Johannes Gutenberg Universität, Staudinger Weg 7, D-55099 Mainz, Germany 4Parallel Computational Sciences Dep...

On dynamical correlations in supercooled liquids

We show how the growth of a dynamical correlation length and its associated susceptibility recently observed by the present authors and co-workers as T, is approached can be understood in an appropriate theoretical framework. We discuss some predictions for these quantities in the region below T, which have not yet been explored in numerical simulations. One of the most striking features of the...