Melting and Freezing of Free Silver Nanoclusters

Abstract:

The melting and freezing with two different cooling rates of Ag_N (N= 140, 360, 532, 784, and 952) nanoclusters are simulated by using molecular dynamics technique with the frame work of embedded atom method. The potential energy as a function of temperature is obtained and the structural details are analyzed. The results reveal that the melting and freezing temperature increases almost linearly with the atom number of the clusters except for Ag₃₆₀. All the silver nanoclusters have negative heat capacity around the phase transition temperature, and the clusters with slow cooling rate have icosahedral structure at 300 K.

• Periodical: Advanced Materials Research (Volumes 268-270)
• Pages: 184-189
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.268-270.184
• Online since: July 2011
• Authors: Zhi Min Wu, Chun Yang Kong, Peng Yu
• Keywords: Freezing, Melting, Molecular Dynamic (MD), Silver Nanocluster

References

[1] H. –S. Nam, N.M. Hawang, B.D. Yu, and J. –K. Yoon: Phys. Rev. Lett. Vol. 89 (2002), p.275502.

[2] G.A. Breaus, C.M. Neal, B. Cao, and M.F. Jarrold: Phys. Rev. Lett. Vol. 94 (2005), p.173401.

[3] J. –X Yang, C. –F. Wei, and J.J. G: Physica B Vol. 405 (2010), p.4892.

[4] Y. Suzuki, and K. Yamashita: Chem. Phys. Lett. Vol. 486 (2010), p.48.

[5] F. Baletto, A. Rapallo, G. Rossi, and R. Ferrando: Phys. Rev. B Vol. 69 (2004), p.235421.

[6] F. Erocolessi, W. Andreoni, and E. Tosatti: Phys. Rev. Lett. Vol. 66 (1991), p.911.

[7] T.P. Martin: Phys. Rep. Vol. 273 (1996), p.199.

[8] L.D. Marks: Rep. Prog. Phys. Vol. 57 (1994), p.603.

[9] W. de Heer: Rev. Mod. Phys. Vol. 65 (1993), p.611.

[10] J.A. Reyes-Nava, I.L. Garzo´n, and K. Michaelian: Phys. Rev. B Vol. 67 (2003), p.165401.

[11] S.M. Foiles, M.I. Baskes, and M.S. Daw: Phys. Rev. B Vol. 33 (1986), p.7983.

[12] V.G. Grigoryan, D. Alamanova, and M. Springborg: Phys. Rev. B Vol. 73 (2006), p.115415.

[13] M. Schmidt, R. Kusche, B. V. Issendorff, H. Haberland, Nature 393 (1998) 238.

[14] F. Baletto, and R. Ferrando: Rev. Mod. Phys. Vol. 77 (2005), p.371.

[15] F. Delogu: Phys. Rev. B Vol. 72 (2005), p.205418.

[16] A.A. Shvartsburg, and M. F. Jarrold: Phys. Rev. Lett. Vol. 85 (2000), p.2530.

[17] J. Pawlow: Surf. Sci. Vol. 106, (1981) p.1.

[18] D.D. Frantz: J. Chem. Phys. 115 (2001) 6136.

[19] H. Haberland, T. Hippler, J. Donges, O. Kostko, M. Schmidt, and B.V. Issendorf: Phys. Rev. Lett. Vol. 94 (2005) p.035701.

[20] M. Schmidt, R. Kusche, T. Hippler, J. Donges, W. Kronmüller: B. V. Issendorff, and H. Haberland: Phys. Rev. Lett. Vol. 86 (2001), p.1191.

DOI: 10.1103/physrevlett.86.1191

[21] J.A. Reyes-Nava, L. Garzón, and K. Michaelian: Phys. Rev. B Vol. 67 (2003), p.165401.