Irene Calvo-Almazán

Continuous Compressed Sensing for Surface Dynamical Processes with Helium Atom Scattering.

Compressed Sensing (CS) techniques are used to measure and reconstruct surface dynamical processes with a helium spin-echo spectrometer for the first time. Helium atom scattering is a well established method for examining the surface structure and dynamics of materials at atomic sized resolution and the spin-echo technique opens up the possibility of compressing the data acquisition process. CS methods demonstrating the compressibility of spin-echo spectra are presented for several measurements. Recent developments on structured multilevel sampling that are empirically and theoretically shown to substantially improve upon the state of the art CS techniques are implemented. In addition, wavelet based CS approximations, founded on a new continuous CS approach, are used to construct continuous spectra. In order to measure both surface diffusion and surface phonons, which appear usually on different energy scales, standard CS techniques are not sufficient. However, the new continuous CS wavelet approach allows simultaneous analysis of surface phonons and molecular diffusion while reducing acquisition times substantially. The developed methodology is not exclusive to Helium atom scattering and can also be applied to other scattering frameworks such as neutron spin-echo and Raman spectroscopy.

Questions arising for future surface diffusion studies using scattering techniques—the case of benzene diffusion on graphite basal plane surfaces

This paper gives a review of recent work on benzene diffusion on graphitic carbon surfaces using neutron and helium scattering spectroscopy as well as computational modelling. Recent spin-echo spectroscopy measurements have demonstrated that benzene/graphite displays almost perfect Brownian diffusion and that it can be used as a tool to study dynamic friction. Incoherent neutron backscattering measurements, on the other hand, reveal a jump diffusion behaviour, related to the molecular rotational modes of the benzene rings. Molecular dynamics (MD) simulations have delivered a very detailed picture of the adsorbate dynamics. We use this review to illustrate the open questions and possible future directions of this research field.