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SIMS21, Poland 2017 - Michal Kanski abstract

Michal Kanski oral presentation (FN1-Mon3-2-25)

Adventures with Barbara Garrison into the Simulation Universe: Effect of the impact angle on the energy-resolved angular distributions of β-carotene molecules sputtered by a 10 keV Ar­2000 projectiles. A molecular dynamics study.

Michal Kanski1, Barbara J. Garrison2, Zbigniew Postawa1

1 Jagiellonian University, prof. Stanislawa Lojasiewicza 11, 30-348 Krakow, Poland
2 Penn State University - Department of Chemistry, 104 Chemistry Building, PA 16802 University Park, United States


Use of post-ionization techniques for the analysis of sputtered material allows for the detection of the neutral particles which dominate in the sputtered plume, thus overcoming the limitation of Secondary Ion Mass Spectrometry (SIMS) in which a weak emission of ions occurs. One of the post-ionization methods utilizes lasers to ionize the neutral particles. In order to access a large number of sputtered neutral particles, the overlap of the laser beam and the ejected material must be optimized. This requirement also applies to the timing of sputtering and arrival of the laser pulse for schemes utilizing pulsed light sources. A knowledge of the kinetic energy and angular distributions is thus critical for a proper design of the experiment.

Recently, experimental studies were conducted to understand the dependence of the incident angle of large argon clusters on the angular distribution of ejected organic material [1]. The results were constrained, however, by the limitations of the experimental procedure, such as a limited angular range of the collector of the sputtered matter and its inability to monitor kinetic energy of the collected particles. These constraints can be easily removed in computer simulations.

Molecular dynamics computer simulations are used to investigate the effect of the projectile impact angle on the kinetic energy and angular distributions of particles emitted from β-carotene, bombarded by 10 keV Ar2000 clusters.

[1] M. Lorenz, A.G. Shard, J.D.P. Counsell, S. Hutton, and I.S. Gilmore, The Journal of Physical Chemistry C, 120(44), 2016, 25317-25327

This work is supported by NCN, grant 2016/23/N/ST4/01013 and a stipend funded by Krakowskie Konsorcjum Naukowe im. Mariana Smoluchowskiego "Materia–Energia–Przyszłość” as a part of the KNOW endowment.