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We investigate the isothermal crystallizations of nanoparticles composed, respectively, of 4000 Cu atoms (Cu4000) and 13500 Cu atoms (Cu13500), and bulk Cu according to on embedded atom model, using molecular dynamics simulations. We note that different sizes of Cu nanoparticles display multistep crystallization at low temperature, and their crystallization time distribution is wider than at high temperature, shown by analyzing the structural and dynamic properties of isothermal crystallization. Moreover, the size of particle plays an important role in the crystallization process. The larger the size, the longer the crystallization time is. However, we find that there is a critical size rc. The crystallization time increases with particle size increasing when the size is less than rc. On the contrary, when the size is more than rc, the crystallization time decreases with particle size increasing.
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Keywords:
- molecular dynamics simulation /
- Cu nanocluster /
- isothermal crystallization /
- critical size
[1] Chen N, Frank R 2011 Acta Mater. 59 6433
[2] Jang D C, J R Greer 2010 Nat. Mater. 9 215
[3] Merikanto J 2007 Phys. Rev. Lett. 98 145702
[4] Nam H S 2002 Phys. Rev. Lett. 89 275502
[5] Song H J, X H Li 2006 Chin. J. Chem. 24 273
[6] Qi Y 2001 J. Chem. Phys. 115 385
[7] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 4245 (in Chinese) [杨全文, 朱如曾 2005 物理学报 54 4245]
[8] Chui Y H, I K Snook 2007 Phys. Rev. B 76 195427
[9] Sutter P W, Sutter E A 2007 Nat. Mater. 6 363
[10] Chui Y H 2006 J. Chem. Phys. 125 114703
[11] Chen Q, Sun M H 2012 Acta Phys. Sin. 61 146101 (in Chinese) [陈青, 孙民华 2012 物理学报 61 146101]
[12] Qi W, Wang M 2004 Mater. Chem. Phys. 88 280
[13] Alavi S, Thompson D L 2006 J. Phys. Chem. A 110 1518
[14] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 89 (in Chinese) [杨全文, 朱如曾 2005 物理学报 54 89]
[15] Wen Y H, Zhang Y 2009 Acta Phys. Sin. 58 2585 (in Chinese) [文玉华, 张杨 2009 物理学报 58 2585]
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[1] Chen N, Frank R 2011 Acta Mater. 59 6433
[2] Jang D C, J R Greer 2010 Nat. Mater. 9 215
[3] Merikanto J 2007 Phys. Rev. Lett. 98 145702
[4] Nam H S 2002 Phys. Rev. Lett. 89 275502
[5] Song H J, X H Li 2006 Chin. J. Chem. 24 273
[6] Qi Y 2001 J. Chem. Phys. 115 385
[7] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 4245 (in Chinese) [杨全文, 朱如曾 2005 物理学报 54 4245]
[8] Chui Y H, I K Snook 2007 Phys. Rev. B 76 195427
[9] Sutter P W, Sutter E A 2007 Nat. Mater. 6 363
[10] Chui Y H 2006 J. Chem. Phys. 125 114703
[11] Chen Q, Sun M H 2012 Acta Phys. Sin. 61 146101 (in Chinese) [陈青, 孙民华 2012 物理学报 61 146101]
[12] Qi W, Wang M 2004 Mater. Chem. Phys. 88 280
[13] Alavi S, Thompson D L 2006 J. Phys. Chem. A 110 1518
[14] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 89 (in Chinese) [杨全文, 朱如曾 2005 物理学报 54 89]
[15] Wen Y H, Zhang Y 2009 Acta Phys. Sin. 58 2585 (in Chinese) [文玉华, 张杨 2009 物理学报 58 2585]
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