The Motion of the Spherical Cow: Numerical Simulations of the Deceleration of a Multi-Atom System By a Motion Through a Gaseous Environment
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Date
2024
Authors
Abdoullaeva, Julia
Journal Title
Journal ISSN
Volume Title
Publisher
University of Oregon
Abstract
Particle collision theory is applied in experimental settings such as mass spectroscopy and other particle fragmentation techniques to gain insight into observed behaviors. The energetic interactions that occur between large macromolecules and ions during a collision are complex and require several analytical tools and techniques to fully understand. The research described in this thesis raises the question of whether it is possible to develop a numerical simulation that simplifies this collision model and allows us to form a general understanding of particle interactions during a collision. Several computational methods are implemented in the development of this program including Monte Carlo, a binning procedure, and a double rolling procedure. The numerical simulation will aim to calculate an appropriate background gas particle distribution and relevant trajectories such as the monomer’s center of mass velocity.
Description
Keywords
Theoretical Chemistry, Physical Chemistry, Computational Chemistry, Numerical Simulations, Particle Collisions