Melting Transition of Small Aluminium Clusters Al11-20
ZHANG Wei1,2, ZHANG Feng-Shou1,2, ZHU Zhi-Yuan3
1The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 1008752Beijing Radiation Center, Beijing 1008753Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800
Melting Transition of Small Aluminium Clusters Al11-20
ZHANG Wei1,2;ZHANG Feng-Shou1,2;ZHU Zhi-Yuan3
1The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 1008752Beijing Radiation Center, Beijing 1008753Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800
摘要Heat capacities of small aluminium clusters Al11-20 are investigated using MD simulation with empirical many-body Gupta potential. The heat capacities of some clusters Al11, Al12, Al13 and Al19 show well-defined peaks while the heat capacities of Al15-18 indicate a gradual melting transition. The spectra of isomers obtained by quenches along the MD trajectory give good interpretation for those results.
Abstract：Heat capacities of small aluminium clusters Al11-20 are investigated using MD simulation with empirical many-body Gupta potential. The heat capacities of some clusters Al11, Al12, Al13 and Al19 show well-defined peaks while the heat capacities of Al15-18 indicate a gradual melting transition. The spectra of isomers obtained by quenches along the MD trajectory give good interpretation for those results.
[1] Baletto F and Ferrando R 2005 Rev. Mod. Phys. 77 371 [2] Schmidt M, Kusche R, Issendorff B and Haberland H 1998 Nature 393 238 [3] Haberland H et al %, Hippler T, Donges J, Kostko O, Schmidt M%and Issendorff B2005 Phys. Rev. Lett. 94 035701 [4] Breaux G A et al %, Neal C M, Cao B and Jarrold M F2005 Phys.Rev. Lett. 94 173401 [5] Calvo F and Spiegelmann F 2004 J. Chem. Phys. 120 9684 [6] Calvo F and Spiegelmann F 2000 J. Chem. Phys. 1122888 [7] Shmidt M et al %, Donges J, Hippler T and Haberland H2003 Phys.Rev. Lett. 90 103401 [8] Aguado A and L\'{opez J M 2006 Phys. Rev. B 74 115403 [9] Sun D Y and Gong X G 1998 Phys. Rev. B 57 4730 [10] Noya E G, Doye J P K and Calvo F 2006 Phys. Rev. B 73 125407 [11] Jellinek J and Goldberg A 2000 J. Chem. Phys. 113 2570 [12] Lai S K, Lin W D, Wu K L, Li W H and Lee K C 2004 J.Chem. Phys. 121 1487 [13] Werner R 2005 Euro. Phys. J. B 43 47 [14] Lee Y J et al %, Nieminen R M, Lee E K and Kim S2001 Comp.Phys. Comm. 142 201 [15] Joshi K, Krishnamurty S and Kanhere D G 2006 Phys. Rev.Lett. 96 135703 [16] Krishnamurty S, Chacko S and Kanhere D G 2006 Phys. Rev. B 73 045406 [17] Lee M, Chacko S and Kanhere D G 2005 J. Chem. Phys. 123 164310 [18] Zhang W, Zhang F S and Zhu Z Y 2006 Phys. Rev. B 74 033412 [19] Gupta R P 1981 Phys. Rev. B 23 6265 [20] Cleri F and Rosato V 1993 Phys. Rev. B 48 22 [21] Deaven D M and Ho K M 1995 Phys. Rev. Lett. 75 288 [22] Pearson E M, Halicioglu T and Tiller W A 1985 Phys. Rev. A 32 3030 [23] Sawada S and Sugano S 1989 Z. Phys. D: At. Mol. Clusters 14 247 [24] http://www-wales.ch.cam.ac.uk/CCD.html. [25] Doye J P K 2003 J. Chem. Phys. 119 1136 [26] Reyes-Nava J A et al %, Garzon I L, Beltran M R and Michaelian K2002 Rev. Mex. Fis. 48 450 [27] Wang F, Zhang F S and Abe Y 2000 Chem. Phys. Lett. 326 461
2007, Vol. 24 
