Abstract

Abstract Metropolis Monte Carlo simulations of the melting transition of Lennard-Jones microcrystals confined to spherical cavities are reported. While 13 atom microcrystals melt continuously, larger microcrystals containing 201 and 209 atoms exhibit a first-order-like freezing transition to an HCP structure. A simple formula is derived which predicts the marked lowering of the melting temperature for small microcrystals observed in the simulations and which is consistent with experimental results for the melting of metal microcrystals. The Tammann temperature is found to be an accurate indicator of microcrystal melting.

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 call

Disclaimer: 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.