Large-scale molecular dynamics simulations of cluster impact and erosion processes on a diamond surface

Yasutaka Yamaguchi and Jürgen Gspann
Phys. Rev. B 66, 155408 – Published 4 October 2002
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Abstract

Single Arn or (CO2)n (n960) cluster impacts on a diamond (111) surface are studied by large-scale molecular dynamics simulations in order to investigate highly energetic cluster-surface interactions. For a cluster impact energy Ea of 100 keV, a hemispherical crater and multilayered shockwaves are observed. Rebounding hot fluidized carbon material is seen to replenish the transient crater very quickly, with a central peak appearing as a long time phenomenon in the case of a CO2 cluster impact. Transient craters develop also for lower impact energies of 30<~Ea<~75keV while only an elastic deformation is observed for Ea=10keV. The volume of the transient crater is approximately proportional to Ea while the volume of the plastically deformed region and the kinetic energy transfer via the shockwave are linear functions of Ea minus a threshold energy of about 10 keV. At an impact energy of 100 keV, the number of carbon atoms emitted from the target is much larger for a CO2 cluster impact than for an Ar cluster impact with a factor of about 3.35. The reactive enhancement of the surface erosion in the CO2 case is also proven by a strong CO signal in the spectrum of the emitted fragments. On the other hand, the surface of the relaxed crater is more densely packed and smoother in the case of the Ar cluster impact.

  • Received 6 March 2002

DOI:https://doi.org/10.1103/PhysRevB.66.155408

©2002 American Physical Society

Authors & Affiliations

Yasutaka Yamaguchi*

  • Department of Mechanical Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656, Japan

Jürgen Gspann

  • Institut für Mikrostrukturtechnik, Universität Karlsruhe, Postfach 3640, D-76021 Karlsruhe, Germany

  • *Now at Department of Mechanophysics Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan; Electronic address: yamaguchi@mech.eng.osaka-u.ac.jp; URL:http://www-gcom.mech.eng.osaka-u.ac.jp/ yamaguchi/
  • Also at Forschungszentrum Karlsruhe; Electronic address: juergen.gspann@imt.fzk.de

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Vol. 66, Iss. 15 — 15 October 2002

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