# Abstract

__Ian Snook__: „Studies of crystallization of the hard sphere fluid - recent MD and MC studies and structure measures”

RMIT University, Melbourne, Australia

The simplest realistic system to show a liquid/solid transition is the hard sphere system and so this system has been extensively studied and used as a prototype for understanding the freezing transition. Pioneering work by Alder and Wainwright and by Hoover and Ree established that not only is the fluid to solid transition of a three dimensional system of hard spheres possible but that it is a first order transition. The thermodynamic properties of each phase and the freezing and melting densities are now very accurately known.

However, the mechanism by which this transition occurs and a detailed description of the processes involved in nucleation are still not fully known.

In this talk I will outline work on this transition which I have been involved in for several years now.

I shall attempt to show what can be learnt about this transition from several points of view i.e.

- A thermodynamic one based on the calculation of the exact free volume
^{1} - A topological one based on ring statistics
^{2} - One based on single particle dynamics and the velocity autocorrelation function
^{3,4}and finally - Studies of the actual dynamics in which nucleation is observed
^{5,6}

References

- B. O' Malley and I. Snook, "
*Cavity and Free Volume Distribution of the Dense Hard Sphere System and the Fluid/Solid Transition*", to be submitted - B. O' Malley and I. Snook, "
*Structure of the hard sphere fluid and precursor structures to crystallisation*". J. Chem. Phys.,**123**054511 (2005) - S.R. Williams, P. McGlynn, G. Bryant, I.K. Snook and W. van Megen, "
*Dynamical signatures of freezing: Stable fluids, metastable fluids and crystals*", Phys. Rev. E,**74**031204 (2006) - S.R. Williams, G. Bryant, I.K. Snook and W. van Megen, "
*Velocity autocorrelation functions of hard-sphere liquids: Long-time tails upon undercooling*", Phys. Rev. Letters,**96**087801 (2006) - B. O' Malley, and I. Snook, "
*Crystal Nucleation in the Hard Sphere Fluid at Co-existence*", Phys. Rev. Letters,**90**85702 (2003) - T. Schilling, H.J. Schope, M. Oettel, G. Opletal and I. Snook, "
*Precursor-mediated crystallization process in suspensions of hard spheres*", Phys. Rev. Letters, to appear 2010