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Quantum Dynamics of Hydrogen on Ruthenium

Aarons, Jolyon (2013) Quantum Dynamics of Hydrogen on Ruthenium. MSc by research thesis, University of York.

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A study of Hydrogen dynamics on a simple model Ruthenium surface has been performed using Partially Adiabatic Centroid Molecular Dynamics (PACMD), with a stochastic, Langevin based thermostat. Evidence has been found, and is presented within for quantum-mechanically mediated, temperature-dependent friction. The technique has been shown to accurately model the dynamics, as measured experimentally by Helium-3 Spin-echo Interferometry, in a way which has not been possible with classical techniques.

Item Type: Thesis (MSc by research)
Academic Units: The University of York > Physics (York)
Depositing User: Mr Jolyon Aarons
Date Deposited: 21 Oct 2013 10:54
Last Modified: 21 Oct 2013 10:54
URI: http://etheses.whiterose.ac.uk/id/eprint/4582

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