Molecular Dynamics Simulation of Structural Changes of Ag₉₆₅ Clusters during Freezing

Abstract:

The structural transitions of Ag₉₆₅ clusters during two different quenching processes (Q1:1.0×10¹⁴ K/s, Q2: 1.0×10¹² K/s) were studied using molecular dynamics simulations. This work gives the structure properties including the variations with temperature of pair-correlation function, bond-angle distribution function, bond pairs and bond orientational order parameters in both rapid quenching processes. Our results indicated that the liquid Ag965 was frozen into amorphous structure at 100 K under the quenching condition Q1. While the liquid Ag₉₆₅ transformed to hexagonal close-packed (hcp) phase at the temperature 100 K under the quenching condition Q2.These instructions give you basic guidelines for preparing papers for conference proceedings.

• Periodical: Advanced Materials Research (Volume 683)
• Pages: 348-352
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.683.348
• Online since: April 2013
• Authors: J.H. Xia, Zheng Fu Cheng, Xu Yang Xiao
• Keywords: Ag₉₆₅, Molecular Dynamics (MD) Simulation, Structural Transition

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