Computer simulation of structure and dynamics of liquids

COFFEE_KLATCH  · Invited

Abstract

In this talk, I will discuss some of what recent computer simulation studies have taught us about the relationship between the real-space structure and dynamics of model equilibrium and supercooled fluids. Specifically, I will discuss which experimentally measurable aspects of static structure reliably track the dynamical trends of homogeneous and confined equilibrium fluids, and which do not. I will also explain how some of the well-known ``dynamic anomalies'' of supercooled water and concentrated suspensions of particles with short-range attractions, reflect corresponding anomalies in the underlying static structure. Finally, I will explore how dynamic heterogeneities of deeply supercooled fluids connect to dynamic aspects of their local structure.

*This work was supported by grants from the Welch Foundation (F-1696) and the National Science Foundation (CTS-0448721). The Texas Advanced Computing Center (TACC) provided computational resourses for this study.

Authors

  • Thomas Truskett

    • University of Texas at Austin
    • The University of Texas at Austin