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Electron impact ionization cross sections of beryllium-tungsten clusters

  • Ivan Sukuba
  • Alexander Kaiser
  • Stefan E. Huber
  • Jan UrbanEmail author
  • Michael Probst
Regular Article
Part of the following topical collections:
  1. Topical Issue: Atomic Cluster Collisions (7th International Symposium)

Abstract

We report calculated electron impact ionization cross sections (EICSs) of beryllium-tungsten clusters, Be n W with n = 1,...,12, from the ionization threshold to 10 keV using the Deutsch-Märk (DM) and the binary-encounter-Bethe (BEB) formalisms. The positions of the maxima of DM and BEB cross sections are mostly close to each other. The DM cross sections are more sensitive with respect to the cluster size. For the clusters smaller than Be4W they yield smaller cross sections than BEB and vice versa larger cross sections than BEB for clusters larger than Be6W. The maximum cross section values for the singlet-spin groundstate clusters range from 7.0 × 10-16 cm2 at 28 eV (BeW) to 54.2 × 10-16 cm2 at 43 eV (Be12W) for the DM cross sections and from 13.5 × 10-16 cm2 at 43 eV (BeW) to 38.9 × 10-16 cm2 at 43 eV (Be12W) for the BEB cross sections. Differences of the EICSs in different isomers and between singlet and triplet states are also explored. Both the DM and BEB cross sections could be fitted perfectly to a simple expression used in modeling and simulation codes in the framework of nuclear fusion research.

Graphical abstract

Keywords

Triplet State Ionization Cross Section Atomization Energy Roman Numeral Ionization Threshold 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Supplementary material

References

  1. 1.
    R.A. Pitts, S. Carpentier, F. Escourbiac, T. Hirai, V. Komarov, A.S. Kukushkin, S. Lisgo, A. Loarte, M. Merola, R. Mitteau, A.R. Raffray, M. Shimada, P.C. Stangeby, J. Nucl. Mater. 415, S957 (2011)ADSCrossRefGoogle Scholar
  2. 2.
    G. Federici, Phys. Scr. T124, 1 (2006)ADSCrossRefGoogle Scholar
  3. 3.
    R.P. Doerner, M.J. Baldwin, D. Buchenauer, G. De Temmerman, D. Nishijima, J. Nucl. Mater. 390-91, 681 (2009)ADSCrossRefGoogle Scholar
  4. 4.
    C. Bjoerkas, K. Vortler, K. Nordlund, D. Nishijima, R. Doerner, New J. Phys. 11, 12, 123017 (2009)ADSCrossRefGoogle Scholar
  5. 5.
    G. Janeschitz, Iter JCT and HTs, J. Nucl. Mater. 290, 1 (2001)ADSCrossRefGoogle Scholar
  6. 6.
    G. Federici, P. Andrew, P. Barabaschi, J. Brooks, R. Doerner, A. Geier, A. Herrmann, G. Janeschitz, K. Krieger, A. Kukushkin, A. Loarte, R. Neu, G. Saibene, M. Shimada, G. Strohmayer, M. Sugihara, J. Nucl. Mater. 313, 11 (2003)ADSCrossRefGoogle Scholar
  7. 7.
    J. Roth, E. Tsitrone, A. Loarte, T. Loarer, G. Counsell, R. Neu, V. Philipps, S. Brezinsek, M. Lehnen, P. Coad, C. Grisolia, K. Schmid, K. Krieger, A. Kallenbach, B. Lipschultz, R. Doerner, R. Causey, V. Alimov, W. Shu, O. Ogorodnikova, A. Kirschner, G. Federici, A. Kukushkin, EFDA PWI Task Force, ITER PWI Team, Fusion for Energy, ITPA SOL/DIV, J. Nucl. Mater. 390-91, 1 (2009)Google Scholar
  8. 8.
    R.E.H. Clark, D.H. Reiter, Nuclear Fusion Research – Understanding Plasma-Surface Interactions (Springer, Berlin, 2005)Google Scholar
  9. 9.
    A. Kendl, Int. J. Mass Spectrom. 365, 106 (2014)ADSCrossRefGoogle Scholar
  10. 10.
    T.D. Märk, G.H. Dunn, Electron Impact Ionization (Springer, Wien, 1985)Google Scholar
  11. 11.
    J. Colgan, S.D. Loch, M.S. Pindzola, C.P. Ballance, D.C. Griffin, Phys. Rev. A 68, 9, 032712 (2003)ADSCrossRefGoogle Scholar
  12. 12.
    P.L. Bartlett, A.T. Stelbovics, At. Data Nucl. Data Tables 86, 235 (2004)ADSCrossRefGoogle Scholar
  13. 13.
    T. Maihom, I. Sukuba, R. Janev, K. Becker, T. Märk, A. Kaiser, J. Limtrakul, J. Urban, P. Mach, M. Probst, Eur. Phys. J. D 67, 2 (2013)ADSCrossRefGoogle Scholar
  14. 14.
    H. Deutsch, K. Hilpert, K. Becker, M. Probst, T.D. Mark, J. Appl. Phys. 89, 1915 (2001)ADSCrossRefGoogle Scholar
  15. 15.
    B. Goswami, R. Naghma, B. Antony, Int. J. Mass Spectrom. 372, 8 (2014)ADSCrossRefGoogle Scholar
  16. 16.
    Y.K. Kim, M.E. Rudd, Phys. Rev. A 50, 3954 (1994)ADSCrossRefGoogle Scholar
  17. 17.
    Y.K. Kim, M.A. Ali, M.E. Rudd, J. Res. Nat. Instit. Stand. Technol. 102, 693 (1997)CrossRefGoogle Scholar
  18. 18.
    H. Deutsch, T.D. Märk, Int. J. Mass Spectrom. 79, R1 (1987)ADSCrossRefGoogle Scholar
  19. 19.
    H. Deutsch, K. Becker, M. Probst, T.D. Märk, in Advances in Atomic, Molecular, and Optical Physics, edited by E. Arimondo, P.R. Berman, C.C. Lin (Elsevier Academic Press Inc, San Diego, 2009), Vol. 57, pp. 87Google Scholar
  20. 20.
    D. Naujoks, R. Behrisch, J.P. Coad, L. Dekock, Nucl. Fusion 33, 581 (1993)ADSCrossRefGoogle Scholar
  21. 21.
    A. Kirschner, V. Philipps, J. Winter, U. Kogler, Nucl. Fusion 40, 989 (2000)ADSCrossRefGoogle Scholar
  22. 22.
    D. Borodin, A. Kirschner, S. Carpentier-Chouchana, R.A. Pitts, S. Lisgo, C. Björkas, P.C. Stangeby, J.D. Elder, A. Galonska, D. Matveev, Phys. Scr. T145, 014008 (2011)ADSCrossRefGoogle Scholar
  23. 23.
    H. Deutsch, P. Scheier, K. Becker, T.D. Märk, Int. J. Mass Spectrom. 233, 13 (2004)ADSCrossRefGoogle Scholar
  24. 24.
    J.P. Desclaux, At. Data Nucl. Data Tables 12, 311 (1973)ADSCrossRefGoogle Scholar
  25. 25.
    D. Margreiter, H. Deutsch, T.D. Märk, Int. J. Mass Spectrom. Ion Process. 139, 127 (1994)ADSCrossRefGoogle Scholar
  26. 26.
    H. Deutsch, K. Becker, S. Matt, T.D. Märk, Int. J. Mass Spectrom. 197, 37 (2000)ADSCrossRefGoogle Scholar
  27. 27.
    H. Bethe, Ann. Phys. 5, 325 (1930)CrossRefzbMATHGoogle Scholar
  28. 28.
    R.S. Mulliken, J. Chem. Phys. 23, 1833 (1955)ADSCrossRefGoogle Scholar
  29. 29.
    R. Tang, J. Callaway, J. Chem. Phys. 84, 6854 (1986)ADSCrossRefGoogle Scholar
  30. 30.
    Turbomole V6.5 2013, University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, Turbomole GmbH, since 2007, available from http://www.turbomole.com
  31. 31.
    S. Grimme, J. Comput. Chem. 27, 1787 (2006)CrossRefGoogle Scholar
  32. 32.
    F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005)CrossRefGoogle Scholar
  33. 33.
    M. Dolg, H. Stoll, H. Preuss, R.M. Pitzer, J. Phys. Chem. 97, 5852 (1993)CrossRefGoogle Scholar
  34. 34.
    A.D. Becke, J. Chem. Phys. 98, 5648 (1993)ADSCrossRefGoogle Scholar
  35. 35.
    D. Andrae, U. Haussermann, M. Dolg, H. Stoll, H. Preuss, Theoretica Chimica Acta 77, 123 (1990)CrossRefGoogle Scholar
  36. 36.
    W.J. Stevens, H. Basch, M. Krauss, J. Chem. Phys. 81, 6026 (1984)ADSCrossRefGoogle Scholar
  37. 37.
    W.J. Stevens, M. Krauss, H. Basch, P.G. Jasien, Can. J. Chem. 70, 612 (1992)CrossRefGoogle Scholar
  38. 38.
    T.R. Cundari, W.J. Stevens, J. Chem. Phys. 98, 5555 (1993)ADSCrossRefGoogle Scholar
  39. 39.
    M.J. Frisch, G.W. Trucks, B.H. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M.J. Bearpark, J. Heyd, E.N. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobavashi, J. Normand, K. Raghavachari, A.P. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, N.J. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian 09 A.02 (Gaussian, Inc., 2009)Google Scholar
  40. 40.
    K.A. Walsh, Beryllium Chemistry and Processing (ASM International, 2009)Google Scholar
  41. 41.
    R.L. Kelly, J. Phys. Chem. Ref. Data 16, 1 (1987)CrossRefGoogle Scholar
  42. 42.
    C.E. Moore, Natl. Stand. Ref. Data Ser. (US Natl. Bur. Stand.) 34, 1 (1970)Google Scholar
  43. 43.
    M.Y. Chou, M.L. Cohen, Phys. Lett. A 113, 420 (1986)ADSCrossRefGoogle Scholar
  44. 44.
    A.M. Kolchin, R.W. Hall, J. Chem. Phys. 113, 4083 (2000)ADSCrossRefGoogle Scholar
  45. 45.
    T. Diederich, T. Doppner, J. Braune, J. Tiggesbaumker, K.H. Meiwes-Broer, Phys. Rev. Lett. 86, 4807 (2001)ADSCrossRefGoogle Scholar

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2016

Authors and Affiliations

  • Ivan Sukuba
    • 1
  • Alexander Kaiser
    • 2
  • Stefan E. Huber
    • 2
  • Jan Urban
    • 1
    Email author
  • Michael Probst
    • 2
  1. 1.Department of Nuclear Physics and BiophysicsFaculty of Mathematics, Physics and Informatics, Comenius UniversityBratislavaSlovakia
  2. 2.Institute of Ion Physics and Applied Physics, University of InnsbruckInnsbruckAustria

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