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Based on the molecular dynamics simulation method, the evolution of Ag nanorods structure during the Ag nanorods relaxation process at various temperatures and lengths are intensively studied. The results show that there is a critical breaking temperature, which is decreasing with the increasing Ag naorods length. The Ag nanorod is melted to a highly disordered spherical cluster when the temperature is between the melting point and the critical breaking temperature. However, the Ag nanorod is melted to two spherical clusters when the temperature is above the critical breaking temperature.The physical mechanics of the structure evolution processe at various temperatures are presented.
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Keywords:
- nanorods /
- molecular dynamics /
- relaxation /
- melting
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[2] Phys. 115 385
[3] Seifert W, Carlsson N, Miller M, Pistol M E 1996 Prog. Cryst. Growth Charact. Mater. 33 423
[4] Sarkar J, Khan G, Basumallick A 2007 Bull. Mater. Sci. 30 271
[5] Craihead H G 2000 Science 290 1532
[6] Goldstein A N, Echer C M, Alivisatos A P 1992 Science 256 1425
[7] Wen Y H, Zhu Z Z, Zhu R, Gui F S 2004 Physica E 25 47
[8] Liu Z, Sakamoto Y, Ohsuna T, Hiraga K, Terasaki O, Ko C H, Shin H J, Ryoo R 2000 Angew. Chem. Int. Ed. Engl. 39 3107
[9] Xia Y, Yang Y, Sun Y, Wu Y, Mayers B, Gates B, Yin Y, Kim F, Yan H 2003 Adv. Mater. 15 353
[10] Bilalbegovic G 2000 Solid State Commun. 115 73
[11] Wang B L, Wang G H, Chen X S, Zhao J J 2003 Phys. Rev. B 67 193403
[12] Link S, Wang Z L, El-Sayed M A 2000 J. Phys. Chem. B 104 7867
[13] Qi Y, Cagin T, Johnson W L, Goddard W A 2001 J. Chem.
[14] Wang J L, Chen X S, Wang G H, Wang B L, Lu W, Zhao J J 2003 Phys. Rev. B 66 085408
[15] Gear C W 1971 Numerial Initial Value Problems in Ordinary Differential Equation Englewood Cliffs (NJ: Prentice-Hall) 1—54
[16] Finnis M W, Sinclair J E 1984 Philos. Mag. A 50 45
[17] Ackland G J, Vitek V 1990 Phys. Rev. B 41 10324
[18] Ackland G J, Tichy G, Vitek V, Finnis M W 1987 Philos. Mag. A 56 735
[19] Lu M, Liu W Q, Luo F, Wei W H 2009 J. Coputat. Phys. 26 121 (in Chinese)[卢 敏、 刘维清、 罗 飞、 魏望和 2009 计算物理 26 121]
[20] Nakamura K, Kitagawa T, Osari K, Takahashi K, Ono K 2006 Vacuum 80 761
[21] Zhou L, Zhou N G, Song Z D 2008 Acta Metall. Sin. 44 34 (in Chinese)[周 浪、 周耐根、 宋照东 2008 金属学报 44 34]
[22] Leach A R 2001 Molecular modelling: Principles and Applications (London: Prentice-Hall)
[23] Parrinello M, Rahman A 1981 J. Appl. Phys. 52 7182
[24] Kang J W, Hwang H J 2003 Comput. Mater. Sci. 27 305
-
[1] Gilmer G H, Huang H C, Roland C 1998 Comput. Mater. Sci. 12 354
[2] Phys. 115 385
[3] Seifert W, Carlsson N, Miller M, Pistol M E 1996 Prog. Cryst. Growth Charact. Mater. 33 423
[4] Sarkar J, Khan G, Basumallick A 2007 Bull. Mater. Sci. 30 271
[5] Craihead H G 2000 Science 290 1532
[6] Goldstein A N, Echer C M, Alivisatos A P 1992 Science 256 1425
[7] Wen Y H, Zhu Z Z, Zhu R, Gui F S 2004 Physica E 25 47
[8] Liu Z, Sakamoto Y, Ohsuna T, Hiraga K, Terasaki O, Ko C H, Shin H J, Ryoo R 2000 Angew. Chem. Int. Ed. Engl. 39 3107
[9] Xia Y, Yang Y, Sun Y, Wu Y, Mayers B, Gates B, Yin Y, Kim F, Yan H 2003 Adv. Mater. 15 353
[10] Bilalbegovic G 2000 Solid State Commun. 115 73
[11] Wang B L, Wang G H, Chen X S, Zhao J J 2003 Phys. Rev. B 67 193403
[12] Link S, Wang Z L, El-Sayed M A 2000 J. Phys. Chem. B 104 7867
[13] Qi Y, Cagin T, Johnson W L, Goddard W A 2001 J. Chem.
[14] Wang J L, Chen X S, Wang G H, Wang B L, Lu W, Zhao J J 2003 Phys. Rev. B 66 085408
[15] Gear C W 1971 Numerial Initial Value Problems in Ordinary Differential Equation Englewood Cliffs (NJ: Prentice-Hall) 1—54
[16] Finnis M W, Sinclair J E 1984 Philos. Mag. A 50 45
[17] Ackland G J, Vitek V 1990 Phys. Rev. B 41 10324
[18] Ackland G J, Tichy G, Vitek V, Finnis M W 1987 Philos. Mag. A 56 735
[19] Lu M, Liu W Q, Luo F, Wei W H 2009 J. Coputat. Phys. 26 121 (in Chinese)[卢 敏、 刘维清、 罗 飞、 魏望和 2009 计算物理 26 121]
[20] Nakamura K, Kitagawa T, Osari K, Takahashi K, Ono K 2006 Vacuum 80 761
[21] Zhou L, Zhou N G, Song Z D 2008 Acta Metall. Sin. 44 34 (in Chinese)[周 浪、 周耐根、 宋照东 2008 金属学报 44 34]
[22] Leach A R 2001 Molecular modelling: Principles and Applications (London: Prentice-Hall)
[23] Parrinello M, Rahman A 1981 J. Appl. Phys. 52 7182
[24] Kang J W, Hwang H J 2003 Comput. Mater. Sci. 27 305
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