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Related Experiment Video

Updated: May 11, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

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Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion.

Bingqing Cheng¹, Alfonso H W Ngan

¹Department of Mechanical Engineering, The University of Hong Kong, Hong Kong. tonicbq@gmail.com

The Journal of Chemical Physics

|May 3, 2013

Summary

Small copper nanoparticles transform shape via a direct geometrical route, not just energy changes. This solid-solid transition involves shear waves and occurs rapidly with low activation energy.

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Last Updated: May 11, 2026

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Area of Science:

Materials Science
Computational Chemistry
Nanotechnology

Background:

Understanding nanoparticle structural dynamics is crucial for designing advanced materials.
Previous models often focus on energetic factors, potentially overlooking kinetic pathways.

Purpose of the Study:

To investigate the solid-solid structural transitions in small copper nanoparticles.
To elucidate the mechanism and kinetics of these transitions.

Main Methods:

Utilizing molecular dynamics simulations.
Employing three distinct interatomic potentials.
Simulating nanoparticles at increasing temperatures.

Main Results:

Observed solid-solid structural transitions in cuboctahedral copper nanoparticles.
Identified a direct geometrical conversion route to an icosahedral shape.
Characterized the transition as a kinetic process with low activation energy and fast reaction times.
Determined the mechanism involves shear wave transmission from the surface, without dislocation activity.

Conclusions:

Small copper nanoparticles can transition between solid structures through a direct geometrical pathway.
The transition is kinetically controlled, highlighting the importance of dynamic processes over static energetics.
Shear wave propagation is identified as the key mechanism driving this transformation.