Abstract
The molecular dynamics method with a modified tight-binding (TB-SMA) potential has been used to study the thermal stability of the initial fcc phase in perfect silver clusters to 2.0 nm in diameter, including the “magical” icosahedral size of N = 55 and 147 atoms. It has been shown that the temperature factor can cause a transition from the initial fcc phase to other structural modifications in small Ag clusters (up to 200 atoms). Thus, the fcc structure of clusters with N > 200 atoms is thermally stable to the melting point. For silver nanoparticles of smaller size, the situation is much more complicated, and numerous cases of thermally induced changes in the cluster structure have been observed, often occurring in different scenarios. Thus, to use such small silver clusters, it is necessary to study in detail the problems of the thermal stability of the cluster structure, apparently taking into account the influence of various “magic” numbers.
Sign-in/Register to access full text options 
Free) 
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
