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Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Mesoscale energy deposition footprint model for kiloelectronvolt cluster bombardment of solids
Michael F Russo1, Barbara J Garrison
1Department of Chemistry, Penn State University, University Park, Pennsylvania 16802, USA.
Abstract:
Molecular dynamics simulations have been performed to model 5-keV C60 and Au3 projectile bombardment of an amorphous water substrate. The goal is to obtain detailed insights into the dynamics of motion in order to develop a straightforward and less computationally demanding model of the process of ejection. The molecular dynamics results provide the basis for the mesoscale energy deposition footprint model. This model provides a method for predicting relative yields based on information from less than 1 ps of simulation time.
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