Topological Classification of Clusters in Condensed Phases

Details Topological Classification of Clusters in Condensed Phases Topological Classification of Clusters in Condensed Phases

2007-05-02

arxiv.org/abs/0705.0203v1

Physics

Condensed Matter

Soft Condensed Matter

9 pages, 6 figures

Scientific paper

A methodology is developed to identify clusters in a bulk phase which are topologically equivalent to certain reference clusters. The selected reference clusters are the Morse clusters with 13 or less atoms and the 13 atom clusters found in an FCC and an HCP crystal phase, consisting of an atom and its 12 nearest neighbours. The first step in using the method requires the bond network of the bulk phase to be identified. The bonds may be identified in terms of the distance between the atom pairs or by using a modified Voronoi decomposition, introduced here. We then search for all the 3, 4 and 5 membered shortest path rings and use these to identify some basic clusters. These basic clusters are then combined to identify the above mentioned Morse and crystal clusters. The larger Morse clusters (N>13) may be identified in terms of the basic clusters and the smaller Morse clusters. This work has important applications in studying the energy landscape of a bulk phase. As an example, results from a limited preliminary study on the hard sphere fluid phase are presented.

Affiliated with

Also associated with

No associations

Rating

Topological Classification of Clusters in Condensed Phases does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Topological Classification of Clusters in Condensed Phases, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Topological Classification of Clusters in Condensed Phases will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-674397