Citation: BAI Ming-Ze, CHENG Li, TANG Hong, DOU Yu-Sheng. Molecular Dynamics Simulation of the Laser-Induced Melting of an Al Nanofilm[J]. Acta Physico-Chimica Sinica, ;2010, 26(12): 3143-3149. doi: 10.3866/PKU.WHXB20101224 shu

Molecular Dynamics Simulation of the Laser-Induced Melting of an Al Nanofilm

BAI Ming-Ze ¹ ,
CHENG Li ¹ ,
TANG Hong ¹ ,
DOU Yu-Sheng ^1,2,

1.
1. Institue of Computational Chemistry, Chongqing University of Posts and Telecommunications, Chongqing 400065, P. R. China;
2. Department of Physical Sciences, Nicholls State University, LA 70310, USA

Received Date: 22 July 2010
Available Online: 10 November 2010
Fund Project: 国家自然科学基金(20773618, 21073242) (20773618, 21073242)重庆邮电大学自然科学基金(A2008-39)资助项目 (A2008-39)

A coupled computational technique, which combines the one dimensional two-temperature model and molecular dynamics, was used to study the melting dynamics of a nanoscale aluminum film irradiated by a femtosecond laser pulse. The model is capable of providing an atomic-level depiction of fast microscale processes in metals and gives an adequate description of laser light absorption, energy transfer, and fast electron heat conduction in metals. The simulation revealed that the electron temperature, lattice temperature, and laser induced pressure of the Al film were significantly different from those of Ni and Au films. The Al film melts globally soon after laser radiation and this is different from the Ni film, which es through a step melting process. In addition, the Al film shows a much faster melting process than the Ni and Au films because of strong electron-phonon coupling. The melting time of the Al film by an ultrafast laser pulse is consistent with recent experimental observations, which supports the assertion that the laser induced melting of an Al film is a thermal process.
- Metal Al,
- Laser melting,
- Two-temperature model,
- Ultrafast dynamics,
- Thermal melting
1. [1]
  
  1. Tabata, N.; Yagi, S.; Hishii, M. J. Mater. Process. Technol., 1996,62: 309
2. [2]
  2. Yeo, C. Y.; Tam, S. C.; Jana, S.; Lau, M.W. J. Mater. Process.Technol., 1994, 42: 15
3. [3]
  3. Sun, Z.; Ion, J. C. J. Mater. Sci., 1995, 30: 4205
4. [4]
  4. Gu, B. Proceedings of the Society of Photo-Optical Instrumentation Engineers (SPIE), 2006, 61: 10601
5. [5]
  5. Wang, C.W.; Qu, S. Y.;Wang, X. H.; Sun. J. H. Machinist Metal Forming, 2008, 8: 38. [王承伟, 曲仕尧, 王新洪, 孙俊华. 金属加工: 热加工, 2008, 8: 38]
6. [6]
  6. Cao, X.; Jahazi, M.; Immarigeon, J. P.;Wallace,W. J. Mater. Process. Technol., 2006, 171: 188
7. [7]
  7. Guo, C.; Rodriguez, G.; Lobad, A.; Taylor, A. J. Phys. Rev. Lett., 2000, 84: 4493
8. [8]
  8. Kandyla, M.; Shih, T.; Mazur. E. Phys. Rev. B, 2007, 75: 214107
9. [9]
  9. Siwick, B. J.; Dwyer, J. R.; Jordan, R. E.; Miller, R. J. D. Science, 2003, 302: 1382
10. [10]
  10. Dwyer, J. R.; Jordan, R. E.; Hebeisen, C. T.; Harb, M.; Ernstorfer, R.; Dartigalongue, T.; Miller, R. J. D. J. Mod. Opt., 2007, 54: 905
11. [11]
  11. Rahman, A. Phys. Rev. A, 1964, 136: 405
12. [12]
  12. Stillinger, F. H.; Rahman, A. J. Chem. Phys., 1974, 60: 1545
13. [13]
  13. Hou, H. Y.; Chen, G. L.; Chen, G. Acta Phys. -Chim. Sin., 2006, 22: 771. [侯怀宇, 陈国良, 陈光. 物理化学学报, 2006, 22: 771]
14. [14]
  14. Zhang, T.; Zhang, X. R.;Wu, A. L.; Guan, L.; Xu, C. Y. Acta Phys. -Chim. Sin., 2003, 19: 709. [张弢, 张晓茹, 吴爱玲, 管立, 徐昌业. 物理化学学报, 2003, 19: 709]
15. [15]
  15. Zhou, G. R.; Li, B. Q.; Geng, H. R.; Teng, X. Y.; Chen, G. L. Acta Phys. -Chim. Sin., 2007, 23: 1071. [周国荣, 李蓓琪, 耿浩然, 腾新营, 陈广利. 物理化学学报, 2007, 23: 1071]
16. [16]
  16. Xin, J. T.; Zhu,W. J.; Liu, C. L. Explosion and Shock Waves, 2004, 24: 207. [辛建婷, 祝文军, 刘仓理. 爆炸与冲击, 2004, 24: 207]
17. [17]
  17. Anisimov, S. I.; Kapeliovich, B. L.; Perel'man, T. L.; Eksp, Z. Soviet Physics-JETP, 1974, 39: 375
18. [18]
  18. Ivanov, D. S.; Zhigilei, L. V. Phys. Rev. B, 2003, 68: 22
19. [19]
  19. Schäfer, C.; Urbassek, H. M.; Zhigilei, L. V. Phys. Rev. B, 2002, 66: 4
20. [20]
  20. Daw, M. S.; Baskes, M. I. Phys. Rev. Lett., 1983, 50: 1285
21. [21]
  21. Daw, M. S.; Baskes, M. I. Phys. Rev. B, 1984, 29: 6443
22. [22]
  22. Zhou, X.W.;Wadley, H. N. G.; Johnson, R. A.; Larson, D. J.; Tabat, N.; Cerezo, A.; Petford-Long, A. K.; Smith, G. D.W.; Clifton, P. H.; Martens, R. L.; Kelly, T. F. Acta Mater., 2001, 49: 4005
23. [23]
  23. Volkov, A. N.; Zhigilei, L. V. Journal of Physics Conference Series, 2007, 59: 640
24. [24]
  24. Tas, G.; Maris, H. J. Phys. Rev. B, 1994, 49: 15046
25. [25]
  25. Morris, J. R.; Song, X. J. Chem. Phys., 2002, 116: 9352
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