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采用分子动力学方法研究了Pb液滴在Ni(100)晶面、(110)晶面和(111)晶面的铺展润湿行为. 结果表明: Pb液滴在Ni(100)及(111)基底上的润湿铺展现象呈各向同性, 而在Ni(110)基底上的润湿铺展现象呈明显的各向异性, 且这种各向异性源于Ni(110)晶面点阵结构上Pb原子沿不同晶向的扩散机制及速度的明显差异; Pb液滴在Ni(111)晶面上铺展时, 未发生表面合金化, 液滴铺展动力学描述近似满足 R2 t, 而液滴在(100)晶面和(110)晶面上铺展时表面产生合金化现象, 铺展动力学关系近似满足 R4 t, 且液滴在(100)晶面上的铺展速度高于(110)晶面上的铺展速度.Molecular dynamics simulation is performed to investigate the wetting behaviors of Pb droplet on Ni(100), Ni(110) and Ni(111) substrates. It has been shown that the wetting behavior of precursor film is isotropic for Pb droplet on Ni(100) and Ni(111) substrates, but anisotropic for Pb droplet on Ni(110) substrate. The demonstrated anisotropy is attributed to the differences in diffusion mechanism and rate along different crystal orientations for Pb atoms with corresponding anisotropic structure of the crystal lattice on Ni(110) substrate. The spreading dynamics of precursor film on different lattice surfaces are also investigated, which shows that there is no surface alloy formed for Pb droplet on Ni(111) surface and the spreading dynamics can be described by R2 t, but surface alloy forms for Pb droplet on Ni(100) and Ni(110) surface and the spreading dynamics satisfies R4 t, at the same time the spreading rate of droplet on Ni(100) is higher than that of Ni(110) substrate.
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Keywords:
- molecular dynamics simulation /
- anisotropic wetting behavior /
- precursor film /
- diffusion mechanism
[1] Evans R 1979 Adv. Phys. 28 143
[2] Fu X C, Shen W X, Yao T Y, Hou W H 2005 Physical Chemistry (5th Ed. Vol. 2) (Beijing: Higher Education Press) p311 (in Chinese) [傅献彩, 沈文霞, 姚天扬, 侯文华 2005 物理化学(第五版下册)(北京: 高等教育出版社) 第311页]
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[1] Evans R 1979 Adv. Phys. 28 143
[2] Fu X C, Shen W X, Yao T Y, Hou W H 2005 Physical Chemistry (5th Ed. Vol. 2) (Beijing: Higher Education Press) p311 (in Chinese) [傅献彩, 沈文霞, 姚天扬, 侯文华 2005 物理化学(第五版下册)(北京: 高等教育出版社) 第311页]
[3] Zang D Y, Zhang Y J 2012 Acta Phys. Sin. 61 026803 (in Chinese) [臧渡洋, 张永建 2012 61 026803]
[4] Zheng H Y, Wang M, Wang X X, Huang W D 2011 Acta Phys. Sin. 60 066402 (in Chinese) [郑浩勇, 王猛, 王修星, 黄卫东 2011 60 066402]
[5] Heslot F, Fraysse N, Cazabat A M 1989 Nature 338 640
[6] Edmund W B, Gary G S, David R H 2003 Phys. Rev. Lett. 91 236102
[7] Timoshenko V, Bochenkov V, Traskine V, Protsenko P 2012 J. Mater. Eng. Perform. 21 575
[8] Swiler T P 2000 Acta Mater. 48 4775
[9] Kubo A, Makino T, Sugiyama D, Tanaka S I 2005 J. Mater. Eng. Perform. 40 2395
[10] Cazabat A M, Fraysse N, Heslot F 1991 Colloid Surface 52 1
[11] Moon J, Wynblatt P, Garoff S, Suter R 2004 Langmuir 20 402
[12] Moon J, Wynblatt P, Garoff S, Suter R 2004 Surf. Sci. 559 149
[13] Landry K, Eustathopoulos N 1996 Acta Mater. 44 3923
[14] Yost F G, Sackinger P A, O'Toole E J 1998 Acta Mater. 46 2329
[15] Mortensen A, Drevet B, Eustathopoulos N 1997 Scripta Mater. 36 645
[16] Voitovitch R, Mortensen A, Hodaj F, Eustathopoulos N 1999 Acta Mater. 47 1117
[17] Sutton A P, Chen J 1990 Phil. Mag. Lett. 60 139
[18] Tabar H R, Sutton A P 1991 Phil. Mag. Lett. 63 217
[19] Kimura Y, Qi Y, Çağin T, Goddard III W 1998 Caletech. Asci. Technical. Report 003
[20] Çağin T, Dereli G, Uludoğan M, Tomak M 1999 Phys. Rev. B 59 3468
[21] Smith W, Yong C W, Rodger P M 2002 Mol. Simulat. 28 385
[22] Popescu M N, Oshanin G, Dietrich S, Cazabat A M 2012 J. Phys. Condens. Matter. 24 3
[23] Prévot G, Cohen C, Moulin J, Schmaus D 1999 Surf. Sci. 421 364
[24] Kellogg G L 1991 Phys. Rev. Lett. 67 216
[25] Kellogg G L 1995 Appl. Surf. Sci. 87 353
[26] Xie G F, Wang D W, Ying C T 2003 Acta Phys. Sin. 52 2254 (in Chinese) [谢国锋, 王德武, 应纯同 2003 52 2254]
[27] Basset D W, Webber P R 1978 Surf. Sci. 70 520
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