Bayesian approach to automatic mass-spectrum peak identification in atom probe tomography.

Identification of mass-spectrum peaks is an indispensable step of an atom-probe tomography reconstruction process and can be a time-consuming procedure, vulnerable to errors, if performed manually. We propose a Bayesian approach to the peak identification problem, based on ranking of candidate ions according to their calculated posterior probabilities. The sample model is reconstructed by iteratively accepting top-ranked ions while taking into account prior information, models of experimental errors, and the already accepted ions. The designed approach has been applied to a number of time-of-flight mass spectra, measured for inorganic samples, and enabled a reliable construction of sample models, consistent with the results of manual analysis. Additionally, a "sliding window" approach for an accurate and efficient peak decomposition of a mass spectrum was established on the base of Fisher information.

Atomic-scale age resolution of planetary events.

Resolving the timing of crustal processes and meteorite impact events is central to understanding the formation, evolution and habitability of planetary bodies. However, identifying multi-stage events from complex planetary materials is highly challenging at the length scales of current isotopic techniques. Here we show that accurate U-Pb isotopic analysis of nanoscale domains of baddeleyite can be achieved by atom probe tomography. Within individual crystals of highly shocked baddeleyite from the Sudbury impact structure, three discrete nanostructural domains have been isolated yielding average 206Pb/238U ages of 2,436±94 Ma (protolith crystallization) from homogenous-Fe domains, 1,852±45 Ma (impact) from clustered-Fe domains and 1,412±56 Ma (tectonic metamorphism) from planar and subgrain boundary structures. Baddeleyite is a common phase in terrestrial, Martian, Lunar and asteroidal materials, meaning this atomic-scale approach holds great potential in establishing a more accurate chronology of the formation and evolution of planetary crusts.

Improvements in planar feature reconstructions in atom probe tomography.

Standard atom probe tomography spatial reconstruction techniques have been reasonably successful in reproducing single crystal datasets. However, artefacts persist in the reconstructions that can be attributed to the incorrect assumption of a spherical evaporation surface. Using simulated and experimental field evaporation, we examine the expected shape of the evaporating surface and propose the use of a variable point projection position to mitigate to some degree these reconstruction artefacts. We show initial results from an implementation of a variable projection position, illustrating the effect on simulated and experimental data, while still maintaining a spherical projection surface. Specimen shapes during evaporation of model structures with interfaces between regions of low- and high-evaporation-field material are presented. Use of two-and three-dimensional projection-point maps in the reconstruction of more complicated datasets is discussed.