AVS 65th International Symposium & Exhibition
    Applied Surface Science Division Tuesday Sessions
       Session AS-TuA

Invited Paper AS-TuA7
Computer Modeling of Cluster Projectile Impacts for SIMS Applications

Tuesday, October 23, 2018, 4:20 pm, Room 204

Session: The Impact of Modeling (Ion, Electron) and Data Analysis on Applied Surface Science, a Celebration of the Career of Barbara Garrison
Presenter: Zbigniew Postawa, Jagiellonian University, Krakow, Poland
Correspondent: Click to Email
A few years ago, Secondary Ion Mass Spectrometry (SIMS) has celebrated its centennial. The first observation of secondary ions is credited to J.J. Thompson at the beginning of the twentieth century [1]. However, the golden era of SIMS began in the fifties and continues to this day. This period is associated with a plethora of ground-breaking equipment developments, experimental observations and theoretical explanations. Initially, theoretical descriptions were based on analytical models. However, soon it has been realized that a proper description of phenomena taking place in more complex materials goes beyond the capability of this treatment. The appearance of computers and computer simulations have breathed new life into the field [2]. Today, computer simulations are a vital counterpart to the experimental measurements due to the atomic resolution and ability to visualize processes taking place inside investigated solids. As ion beams have developed from argon, through gallium, gold, bismuth to metal clusters, C60 and now giant atomic and molecular clusters and as computers have become ever more powerful, analysis and simulation of ever more realistic materials has gone forward hand in hand. Barbara Garrison has been always at the forefront of all these endeavors.

In this talk, a few examples of theoretical studies, which Barbara has guided and/or inspired, will be given. Examples include efforts to understand a difference in processes stimulated by impacts of atomic and cluster projectiles [3], evolution of surface roughness during cluster bombardment and its influence on the depth resolution in depth profiling [4], and processes of molecular emission from cluster-bombarded novel ultra-thin graphene-based substrates used recently to enhance molecular ionization [5].

[1] J.J. Thompson, Rays of Positive Electricity, Philos. Mag. 20 (1910) 752.

[2] B.J. Garrison and Z. Postawa, Molecular Dynamics Simulations, the Theoretical Partner to dynamic cluster SIMS Experiments, in ToF-SIMS - Surface Analysis by Mass Spectrometry - 2nd Edition, Eds. D. Briggs and J. Vickerman (SurfaceSpectra Ltd/IM Publications, 2013) and reference therein.

[3] Z. Postawa, B. Czerwinski, M. Szewczyk, E. J. Smiley, N. Winograd and B. J. Garrison, Microscopic Insights into the Sputtering of Ag{111} Induced by C60 and Ga Bombardment of Ag{111}, J. Phys. Chem. B 108 (2004) 7831.

[4] D. Maciazek, R. Paruch, Z. Postawa, B.J Garrison, Micro- and Macroscopic Modeling of Sputter Depth Profiling, J. Phys. Chem. C 120 (2016) 25473.

[5] S. Verkhoturov, M. Gołuński, D. Verkhoturov, S. Geng, Z. Postawa, and E. Schweikert, Trampoline, J. Chem. Phys. 148 (2018) 144309.