Science and technology
Nanoscale metal particles

As part of our multiscale modelling research programme, molecular dynamics software has been developed to model the structure and thermodynamic properties of nanoscale metal particles.

We are particularly interested in solid-liquid phase coexistence in metallic nanoparticles, which can occur prior to melting in isolated nanoparticles.

In sufficiently small particles, the wetting of the solid by the melt can lead to interesting behaviours such as solid-solid transitions, superheating, or the absence of solid-liquid coexistence entirely.

This project is being undertaken in collaboration with the University of Canterbury and the MacDiarmid Institute for Advanced Materials and Nanotechnology in New Zealand.

We are also studying the deposition of nanoparticles on to surfaces and their assembly into nanowires using our simulation software. This work is in collaboration with NanoCluster Devices Ltd in Christchurch.

We’d like to hear from you

We are interested in establishing further research collaborations and developing links with companies to progress these technologies.

For more information

Graham Weir
Science Group Manager
Phone +64 4 931 3245
Mobile +64 29 200 9600
Email g.weir@irl.cri.nz

Recent publications

A. Awasthi, S. C. Hendy, P. Zoontjens and S. A. Brown, “Reentrant Adhesion Behavior in Nanocluster Deposition”, Physical Review Letters 97, 186103 (2006).

D. Schebarchov and S. C. Hendy, “Superheating and Solid-liquid Phase Coexistence in Nanoparticles with Non-melting Surfaces”, Physical Review Letters 96, 256101 (2006).

D. Schebarchov and S. C. Hendy, “Transition from Icosahedral to Decahedral Structure in a Coexisting Solid-Liquid Nickel Cluster”, Physical Review Letters 95, 116101 (2005).

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