Melting temperatures of gold in glue model

Shape transition temperatures of fcc gold nanorods with aspect ratio of 3.0

Gold Size	Shape Transition Temperatures(K)	Melting Temperatures (K)
219		500
477		820
879		980
1404	400	1060
2094	430	1100
2624	480	1140
3610	670	1180
4960	850	1230
5870	870	1250
7552	875	1260
9678	970	1280
11076	990	1280
Bulk		1350

Note:

1. The data of sizes 219, 477, 879 and bulk are from F. Ercolessi, W. Andreoni, and E. Tosatti, Phys. Rev. Lett., 66, 911 (1991). Others are from our simulation of gold heating.

2. The data from gold heating are read directly from the plots of radii of gyration and bond order paramters, so they may not be very accurate.

3. The melting temperature measured from continuous heating may vary a lot for small system (roughly less than 1000) with different initial structures. For example, the melting temperature of gold sphere of 603 atoms with FCC initial structure is about 670K, but that with icosahedral initial structure is about 980K.
 

Melting temperature in tight-binding model

From H.B.Liu et al. Surf. Sci. 491 (2001) 88-98

Note: Tight-binding model gives different temperature scale from glue model.