Abstract
Molecular dynamics simulations are used to study the competitive freezing of icosahedral, decahedral, polydecahedral, and face-centered cubic structures in gold nanoclusters for a range of cluster sizes and temperatures. Measuring the probability of observing each cluster type in an ensemble of freezing events, along with the overall rate at which liquid drops freeze to any structure, allows us to calculate the rate of formation for each structure. An analysis of the freezing trajectories of the clusters reveals that both the icosahedron and the decahedron structures nucleate through the initial formation of a 5-fold symmetric cap. The icosahedron then continues to grow through the sequential growth of neighboring tetrahedral subunits, while the decahedral cluster grows out from the cap along the central 5-fold axis of symmetry.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
