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
Similar content being viewed by others
References
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)
G. Federici, Phys. Scr. T124, 1 (2006)
R.P. Doerner, M.J. Baldwin, D. Buchenauer, G. De Temmerman, D. Nishijima, J. Nucl. Mater. 390-91, 681 (2009)
C. Bjoerkas, K. Vortler, K. Nordlund, D. Nishijima, R. Doerner, New J. Phys. 11, 12, 123017 (2009)
G. Janeschitz, Iter JCT and HTs, J. Nucl. Mater. 290, 1 (2001)
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)
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)
R.E.H. Clark, D.H. Reiter, Nuclear Fusion Research – Understanding Plasma-Surface Interactions (Springer, Berlin, 2005)
A. Kendl, Int. J. Mass Spectrom. 365, 106 (2014)
T.D. Märk, G.H. Dunn, Electron Impact Ionization (Springer, Wien, 1985)
J. Colgan, S.D. Loch, M.S. Pindzola, C.P. Ballance, D.C. Griffin, Phys. Rev. A 68, 9, 032712 (2003)
P.L. Bartlett, A.T. Stelbovics, At. Data Nucl. Data Tables 86, 235 (2004)
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)
H. Deutsch, K. Hilpert, K. Becker, M. Probst, T.D. Mark, J. Appl. Phys. 89, 1915 (2001)
B. Goswami, R. Naghma, B. Antony, Int. J. Mass Spectrom. 372, 8 (2014)
Y.K. Kim, M.E. Rudd, Phys. Rev. A 50, 3954 (1994)
Y.K. Kim, M.A. Ali, M.E. Rudd, J. Res. Nat. Instit. Stand. Technol. 102, 693 (1997)
H. Deutsch, T.D. Märk, Int. J. Mass Spectrom. 79, R1 (1987)
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. 87
D. Naujoks, R. Behrisch, J.P. Coad, L. Dekock, Nucl. Fusion 33, 581 (1993)
A. Kirschner, V. Philipps, J. Winter, U. Kogler, Nucl. Fusion 40, 989 (2000)
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)
H. Deutsch, P. Scheier, K. Becker, T.D. Märk, Int. J. Mass Spectrom. 233, 13 (2004)
J.P. Desclaux, At. Data Nucl. Data Tables 12, 311 (1973)
D. Margreiter, H. Deutsch, T.D. Märk, Int. J. Mass Spectrom. Ion Process. 139, 127 (1994)
H. Deutsch, K. Becker, S. Matt, T.D. Märk, Int. J. Mass Spectrom. 197, 37 (2000)
H. Bethe, Ann. Phys. 5, 325 (1930)
R.S. Mulliken, J. Chem. Phys. 23, 1833 (1955)
R. Tang, J. Callaway, J. Chem. Phys. 84, 6854 (1986)
Turbomole V6.5 2013, University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, Turbomole GmbH, since 2007, available from http://www.turbomole.com
S. Grimme, J. Comput. Chem. 27, 1787 (2006)
F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005)
M. Dolg, H. Stoll, H. Preuss, R.M. Pitzer, J. Phys. Chem. 97, 5852 (1993)
A.D. Becke, J. Chem. Phys. 98, 5648 (1993)
D. Andrae, U. Haussermann, M. Dolg, H. Stoll, H. Preuss, Theoretica Chimica Acta 77, 123 (1990)
W.J. Stevens, H. Basch, M. Krauss, J. Chem. Phys. 81, 6026 (1984)
W.J. Stevens, M. Krauss, H. Basch, P.G. Jasien, Can. J. Chem. 70, 612 (1992)
T.R. Cundari, W.J. Stevens, J. Chem. Phys. 98, 5555 (1993)
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)
K.A. Walsh, Beryllium Chemistry and Processing (ASM International, 2009)
R.L. Kelly, J. Phys. Chem. Ref. Data 16, 1 (1987)
C.E. Moore, Natl. Stand. Ref. Data Ser. (US Natl. Bur. Stand.) 34, 1 (1970)
M.Y. Chou, M.L. Cohen, Phys. Lett. A 113, 420 (1986)
A.M. Kolchin, R.W. Hall, J. Chem. Phys. 113, 4083 (2000)
T. Diederich, T. Doppner, J. Braune, J. Tiggesbaumker, K.H. Meiwes-Broer, Phys. Rev. Lett. 86, 4807 (2001)
Author information
Authors and Affiliations
Corresponding author
Electronic supplementary material
Supplementary material
Rights and permissions
About this article
Cite this article
Sukuba, I., Kaiser, A., Huber, S. et al. Electron impact ionization cross sections of beryllium-tungsten clusters. Eur. Phys. J. D 70, 11 (2016). https://doi.org/10.1140/epjd/e2015-60583-7
Received:
Revised:
Published:
DOI: https://doi.org/10.1140/epjd/e2015-60583-7