Structural Relaxation of a Gel Modeled by Three Body Interactions

Shibu Saw, Niels L. Ellegaard, Walter Kob, Srikanth Sastry

Physical Review Letters · 2009 · 44 citations · 26 references

DOIFull text

Open access

Concepts

Abstract

We report a molecular dynamics simulation study of a model gel whose interaction potential is obtained by modifying the three body Stillinger-Weber model potential for silicon. The modification reduces the average coordination number and suppresses the liquid-gas phase coexistence curve. The low density, low temperature equilibrium gel that can thus form exhibits interesting dynamical behavior, including compressed exponential relaxation of density correlations. We show that motion responsible for such relaxation has ballistic character, and arises from the motion of chain segments in the gel without the restructuring of the gel network.

References

26