Journal of Nanoparticle Research

, Volume 11, Issue 3, pp 589–600 | Cite as

Energy transfer under impact load studied by molecular dynamics simulation

  • Ruling Chen
  • Jianbin Luo
  • Dan Guo
  • Xinchun Lu
Research Paper


The process of amorphous silica clusters impact on a crystal silicon substrate is studied by molecular dynamics simulation, focusing on the energy transfer between clusters and the substrate under different impact conditions such as cluster size, impact velocity, and incidence angle. The impact process is divided into cluster deformation stage, cluster resilience stage, and cluster rebound stage according to the courses of energy change during the impact process. The simulation elucidates that the time of impact process of every cluster is only related to cluster size and is independent of impact velocity and incidence angle. The translational energy loss of the cluster and the potential energy increment of the substrate during cluster deformation stage, and the dissipation energy of system are independent of cluster size under the same impact energy and incidence angle. And the translational energy loss of the cluster during cluster rebound stage changes from energy absorption to energy release after the incidence angle becomes more than 60°. The rotational energy of the cluster may be omitted when the incidence angle is less than 15°. The ratios of the rotational energy increment of the cluster, the kinetic energy increment, and the potential energy increment of the substrate to the translational energy loss of the cluster are obviously influenced by impact conditions. And the ratios of the increment of the other categories of energy to the translational energy loss of the cluster are not sensitive to impact conditions.


Silica cluster impact Cluster size Incidence angle Dissipation of energy Molecular dynamics simulation Nanoparticles Numerical method 



The authors wish to thank T. Watanabe, Ph.D., for explaining how to use his potential function. The authors would also like to thank L. Huang, Ph.D., and F. Duan, Ph.D., for their helpful discussions on the preparation of the silica cluster. This research is supported by National Natural Science Foundation of China (grant no. 50775121) and the National Key Basic Research Program of China (grant no. 2003CB716200).


  1. Anders C, Urbassek HM, Johnson RE (2004) Linearity and additivity in cluster-induced sputtering: a molecular-dynamics study of van der Waals bonded systems. Phys Rev B 70:155404CrossRefADSGoogle Scholar
  2. Aoki T, Matsuo J, Inspevo Z, Yamada I (1997) Molecular dynamics simulation of damage formation by cluster ion impact. Nucl Instrum Methods Phys Res B 121:49–52CrossRefADSGoogle Scholar
  3. Aoki T, Matsuo J (2004) Surface structure dependence of impact processes of gas cluster ions. Nucl Instrum Methods Phys Res B 216:185–190CrossRefADSGoogle Scholar
  4. Aoki T, Matsuo J (2005) Molecular dynamics simulations of sequential cluster ion impacts. Nucl Instrum Methods Phys Res B 228:46–50CrossRefADSGoogle Scholar
  5. Aoki T, Matsuo J (2006) Molecular dynamics study of particle emission by reactive cluster ion impact. Appl Surf Sci 252:6466–6469CrossRefADSGoogle Scholar
  6. Carroll SJ, Nellist PD, Palmer RE, Hobday S, Smith R (2000) Shallow implantation of “size-selected” Ag clusters into graphite. Phys Rev Lett 84:2654–2657PubMedCrossRefADSGoogle Scholar
  7. Cleveland CL, Landman U (1992) Dynamics of cluster–surface collisions. Science 257:355–361PubMedCrossRefADSGoogle Scholar
  8. Duan FL, Luo JB, Wen SZ, Wang JX (2005) Atomistic structural change of silicon surface under a nanoparticle collision. Chin Sci Bull 50:1661–1665CrossRefGoogle Scholar
  9. Haberland H, Insepov Z, Moseler M (1995) Molecular-dynamics simulation of thin-film growth by energetic cluster impact. Phys Rev B 51:11061–11067CrossRefADSGoogle Scholar
  10. Henkel M, Urbassek HM (1998) Ta cluster bombardment of graphite: molecular dynamics study of penetration and damage. Nucl Instrum Methods Phys Res B 145:503–508CrossRefGoogle Scholar
  11. Hensel H, Urbassek HM (1998) Implantation and damage under low-energy Si self-bombardment. Phys Rev B 57:4756–4763CrossRefGoogle Scholar
  12. Insepov Z, Yamada I (1999) Surface processing with ionized cluster beams: computer simulation. Nucl Instrum Methods Phys Res B 153:199–208CrossRefADSGoogle Scholar
  13. Insepov Z, Manory R, Matsuo J, Yamada I (2000) Proposal for a hardness measurement technique without indentor by gas-cluster-beam bombardment. Phys Rev B 61:8744–8752CrossRefADSGoogle Scholar
  14. Kubota A, Mimura H, Inagaki K, Mori Y, Yamauchi K (2006) Effect of particle morphology on removal rate and surface topography in elastic emission machining. J Electrochem Soc 153:G874–G878CrossRefGoogle Scholar
  15. Mori Y, Yamauchi K, Endo K, Ide T, Toyota H, Nishizawa K, Hasegawa M (1990) Evaluation of elastic emission machined surfaced by scanning tunneling microscopy. J Vac Sci Technol A 8:621–624CrossRefADSGoogle Scholar
  16. Moseler M, Rattunde O, Nordiek J, Haberland H (2000) On the origin of surface smoothing by energetic cluster impact: molecular dynamics simulation and mesoscopic modeling. Nucl Instrum Methods Phys Res B 164–165:522–536CrossRefGoogle Scholar
  17. de la Rubia TD, Gilmer GH (1995) Structural transformations and defect production in ion implanted silicon: a molecular-dynamics simulation study. Phys Rev Lett 74:2507–2510CrossRefADSGoogle Scholar
  18. Takami S, Suzuki K, Kubo M, Miyamoto A (2001) The fate of a cluster colliding onto a substrate. J Nanopart Res 3:213–218CrossRefGoogle Scholar
  19. Thomas JC, Aderjan R, Kissel R, Urbassek HM (2000) Sputtering of Au(111) induced by 16-keV Au cluster bombardment: spikes, craters, later emission, and fluctuations. Phys Rev B 62:8487–8493CrossRefADSGoogle Scholar
  20. Voronin GA, Pantea C, Zerda TW, Wang L, Zhao Y (2003) In situ X-ray diffraction study of silicon at pressures up to 15.5 GPa and temperatures up to 1073 K. Phys Rev B 68:020102CrossRefADSGoogle Scholar
  21. Watanabe T, Fujiwara H, Noguchi H, Hoshino T, Ohdomari I (1999) Novel interatomic potential energy function for Si, O mixed systems. Jpn J Appl Phys 38:L366–L369CrossRefGoogle Scholar
  22. Watanabe T, Yamasaki D, Tatsumuar K, Ohdomari I (2004) Improved interatomic potential for stressed Si, O mixed systems. Appl Surf Sci 234:207–213CrossRefADSGoogle Scholar
  23. Yamaguchi Y, Gspann J (2002) Large-scale molecular dynamics simulations of cluster impact and erosion process on a diamond surface. Phys Rev B 66:155408CrossRefADSGoogle Scholar
  24. Yamauchi K, Hirose K, Goto H, Sugiyama K, Inagaki K, Yamamura K, Sano Y, Mori Y (1999) First-principle simulations of removal process in EEM (elastic emission machining). Comp Mater Sci 14:232–235CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media B.V. 2008

Authors and Affiliations

  1. 1.State Key Laboratory of TribologyTsinghua UniversityBeijingChina

Personalised recommendations