Extending Continuum Models for Atom Probe Simulation

This work describes extensions to existing level-set algorithms developed for application within the field of Atom Probe Tomography (APT). We present a new simulation tool for the simulation of 3D tomographic volumes, using advanced level set methods. By combining narrow-band, B-Tree and particle-tracing approaches from level-set methods, we demonstrate a practical tool for simulating shape changes to APT samples under applied electrostatic fields, in three dimensions. This work builds upon our previous studies by allowing for non-axially symmetric solutions, with minimal loss in computational speed, whilst retaining numerical accuracy

DF-Fit : A robust algorithm for detection of crystallographic information in Atom Probe Tomography data

We report on a new algorithm for detection of crystallographic information in 3D, as retained in Atom Probe Tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by 1D distribution functions, as per existing algorithms, but eliminates an unnecessary parameter as compared to current methods. By examining traditional distribution functions in an automated fashion in real space, rather than using Fourier transform approaches, we utilise an error metric based upon the expected value for a spatially random distribution for detecting crystallography. We show cases where the metric is able to successfully obtain orientation information, and show that it can function with high levels of additive and displacive background noise. We additionally compare this metric to Fourier transform methods, showing fewer artefacts when examining simulated datasets. An extension of the approach is used to aid the automatic detection of high-quality data regions within an entire dataset, albeit with a large increase in computational cost. This extension is demonstrated on acquired Aluminium and Tungsten APT datasets, and shown to be able to discern regions of the data which have relatively improved spatial data quality. Finally, this program has been made available for use in other laboratories undertaking their own analyses

Large-scale atom probe tomography data mining: methods and application to inform hydrogen behavior

A large number of atom probe tomography (APT) datasets from past experiments were collected into a database to conduct statistical analyses. An effective way of handling the data is shown, and a study on hydrogen is conducted to illustrate the usefulness of this approach. We propose to handle a large collection of APT spectra as a point cloud and use a city block distance-based metric to measure dissimilarity between spectra. This enables quick and automated searching for spectra by similarity. Since spectra from APT experiments on similar materials are similar, the point cloud of spectra contains clusters. Analysis of these clusters of spectra in this point cloud allows us to infer the sample materials. The behavior of contaminant hydrogen is analyzed and correlated with voltage, electric field, and sample base material. Across several materials, the H2+ /H+ ratio is found to decrease with increasing field, likely an indication of postionization of H2+ ions. The absolute amounts of H2+ and H+ are found to frequently increase throughout APT experiments

Nano-scale corrosion mechanism of T91 steel in static lead-bismuth eutectic: a combined APT, EBSD, and STEM investigation

T91 steel is a candidate material for structural components in lead-bismuth-eutectic (LBE) cooled systems, for example fast reactors and solar power plants [1]. However, the corrosion mechanisms of T91 in LBE remain poorly understood. In this study, we have analysed the static corrosion of T91 in liquid LBE using a range of characterisation techniques at increasingly smaller scales. A unique pattern of liquid metal intrusion was observed that does not appear to correlate with the grain boundary network. Upon closer inspection, electron backscatter diffraction (EBSD) reveals a change in the morphology of grains at the LBE-exposed surface, suggesting a local phase transition. Energy dispersive X-ray (EDX) maps show that Cr is depleted in the T91 material near the LBE interface. Furthermore, we observed the dissolution of all Cr-enriched precipitates in this region. Although the corrosion is conducted in an oxygen deficient environment, both scanning transmission electron microscopy (STEM) and atom probe tomography (APT) reveal a thin surface oxide layer (presumably wüstite) at the LBE-steel interface. Using electron energy loss spectroscopy (EELS) in the STEM, as well as APT, the atomic scale elemental redistribution and 3D morphology of the corrosion interface is investigated. By combining results from these different techniques, several types of oxide phases and structures can be identified. Based on this detailed nano-scale information, we propose potential mechanisms of T91 corrosion in LBE

A gas-phase reaction cell for modern Atom Probe systems

In this work, we demonstrate a new system for the examination of gas interactions with surfaces via Atom Probe Tomography. This system provides the capability to examine the surface and subsurface interactions of gases with a wide range of specimens, as well as a selection of input gas types. This system has been primarily developed to aid the investigation of hydrogen interactions with metallurgical samples, to better understand the phenomenon of hydrogen embrittlement. In its current form, it is able to operate at pressures from 10^-6 to 1000 mbar (abs), can operate using a variety of gasses, and is equipped with heating and cryogenic quenching capabilities. We use this system to examine the interaction of hydrogen with Pd, as well as the interaction of water vapour and oxygen in Mg samples

Limit-(quasi)periodic point sets as quasicrystals with p-adic internal spaces

Model sets (or cut and project sets) provide a familiar and commonly used method of constructing and studying nonperiodic point sets. Here we extend this method to situations where the internal spaces are no longer Euclidean, but instead spaces with p-adic topologies or even with mixed Euclidean/p-adic topologies. We show that a number of well known tilings precisely fit this form, including the chair tiling and the Robinson square tilings. Thus the scope of the cut and project formalism is considerably larger than is usually supposed. Applying the powerful consequences of model sets we derive the diffractive nature of these tilings.Comment: 11 pages, 2 figures; dedicated to Peter Kramer on the occasion of his 65th birthda

Practical Issues for Atom Probe Tomography Analysis of III-Nitride Semiconductor Materials.

Various practical issues affecting atom probe tomography (APT) analysis of III-nitride semiconductors have been studied as part of an investigation using a c-plane InAlN/GaN heterostructure. Specimen preparation was undertaken using a focused ion beam microscope with a mono-isotopic Ga source. This enabled the unambiguous observation of implantation damage induced by sample preparation. In the reconstructed InAlN layer Ga implantation was demonstrated for the standard "clean-up" voltage (5 kV), but this was significantly reduced by using a lower voltage (e.g., 1 kV). The characteristics of APT data from the desorption maps to the mass spectra and measured chemical compositions were examined within the GaN buffer layer underlying the InAlN layer in both pulsed laser and pulsed voltage modes. The measured Ga content increased monotonically with increasing laser pulse energy and voltage pulse fraction within the examined ranges. The best results were obtained at very low laser energy, with the Ga content close to the expected stoichiometric value for GaN and the associated desorption map showing a clear crystallographic pole structure.F.T. would like to thank David A. Nicol for his kind help. The European Research Council has provided financial support under the European Community’s Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement No. 279361 (MACONS).This is the author accepted manuscript. The final version is available from Cambridge University Press via http://dx.doi.org/10.1017/S143192761500042