Computer Simulation of van der Waals Clusters

Overview

Objectives/Goals Van der Waals clusters are groups of chemically neutral atoms or molecules with weak forces of attraction, the Van der Waals forces. They occur naturally and are created in laboratories by jet expansion. My objectives were to study the properties of Van der Waals clusters by computer simulation. I was interested in finding if and how the structures and stabilities of the clusters depend on their sizes. Methods/Materials I wrote two computer programs (for two-dimensional and three-dimensional clusters) in C to model the configurations of clusters of different sizes. I used the Monte Carlo method in my algorithm to find the equilibrium configurations. I plotted the configurations of the clusters and I compared their stabilities and analyzed their properties. Results I found that all the two-dimensional clusters are sections of a hexagonal lattice. All the clusters are very compact and symmetrical. The most stable two-dimensional clusters are the most symmetrical. Thus the most stable three-dimensional clusters must also be the most symmetrical. Conclusions/Discussion This information can help me analyze and interpret results for larger clusters that cannot be pictured. Finally, a parallel can be drawn between clusters and atoms. Just as atoms have certain sizes that make them most stable, namely the inert gases, so do clusters.

Awards (1)

• Category Award

Competition history

• CSEF 2003 Physics & Astronomy · Entry S1516

Resources

• CSEF project summary ↗

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