Hostname: page-component-5c6d5d7d68-wtssw Total loading time: 0 Render date: 2024-08-22T23:00:34.587Z Has data issue: false hasContentIssue false
  • English
  • Français

Ion Beam Damage of Polymer Surfaces: Insights from Molecular-Dynamics Simulation

Published online by Cambridge University Press:  03 September 2012

D. W Brenner ,
O. Shenderova  and
C. B. Parker
D. W Brenner
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907
O. Shenderova
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907
C. B. Parker
Affiliation:
Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907
Get access

Abstract

Molecular-dynamics simulations are used to model the bombardment of crystalline polyethylene by carbon and rare-gas atoms with kinetic energies between 20 eV and 80 eV. The simulations predict substantial near-surface damage, including radical formation via loss of hydrogen from the chains, insertion of carbon into the polymer backbone, and chain crosslinking. For the rare gas atoms, the observed chemical dynamics are dependent on the mass of bombarding species, with the ratio of broken carbon-hydrogen to carbon-carbon bonds decreasing with increasing mass. The total number of bonds broken, however, is a linear function of kinetic energy with the lighter species having a higher slope and lower threshold energy for inducing damage.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 438: Symposium A – Materials Modificaton and Synthesis by Ion Beam… , 1996 , 491
Copyright
Copyright © Materials Research Society 1997

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Lee, E.H., Rao, G.R. and Mansur, L.K., J. Mat. Res. 7, 1900 (1992)Google Scholar
2. Lee, E.H., Lee, Y., and Oliver, W.L., J. Mat. Res. 8, 377 (1993)Google Scholar
3. Lee, E.H., Rao, G.R. and Lewis, M.D., J. Mat. Res. 9, 1043 (1994);Google Scholar
4. Rao, G.R., Lee, E.H. and McCormick, , J. Mat. Res. 10, 190 (1995)Google Scholar
5. Rao, G.R., Lee, E.H. and Mansur, L.K., Wear 162/164, 739 (1993)Google Scholar
6. Rao, G.R., Lee, E.H. and Mansur, L.K., Wear 174, 103 (1994)Google Scholar
7. Rao, G.R., Lee, E.H. and Mansur, L.K., Wear 184, 213 (1995).Google Scholar
8. Robertson, D.H., Brenner, D.W. and White, C.T., Phys. Rev. Lett. 25, 3231 (1991); D.W. Brenner, D.H. Robertson, M.L. Elert and C.T. White; Phys. Rev. Lett. 70, 2174 (1993).Google Scholar
9. Brenner, D.W. and Harrison, J.A., Cer. Bull. 71, 1821 (1992).Google Scholar
10. Harrison, J.A., White, C.T., Colton, R.J. and Brenner, D.W., MRS Bulletin 18, 50 (1993); J.A. Harrison and D.W. Brenner, J. Am. Chem. Soc. 116, 10399 (1995).Google Scholar
11. Robertson, D.H., Brenner, D.W. and White, C.T., J. Phys. Chem. 96, 6133 (1992); D.H. Robertson, J.W. Mintmire and D.W. Brenner, Phys. Rev. B 45, 12592 (1992); D.H. Robertson, D.W. Brenner and C.T. White, J. Phys. Chem. 99, 15721 (1995).Google Scholar
12. Williams, E.R., Jones, G.C. Jr., Fang, L., Zare, R.N., Garrison, B.J. and Brenner, D.W., J. Am. Chem. Soc. 114, 3207 (1992).Google Scholar
13. Sinnott, S.B., Colton, R.J., White, C.T. and Brenner, D.W., Surf. Science 316, L1055 (1994).Google Scholar
14. Brenner, D.W., Phys. Rev. B 42, 9458 (1990). The version used for these calculations includes pair terms that better describe elastic properties for diamond plus terms that model barriers for rotation about dihedral angles for carbon-carbon double bonds (D.W. Brenner, O.A. Shenderova, J.A. Harrison and S.B. Sinnott, unpublished).Google Scholar
15. Allen, M.P. and Tildesley, D.J., Computer Simulation of Liquids (Clarendon Press, Oxford, 1994), p. 21.Google Scholar