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DF-Fit: A Robust Algorithm for Detection of Crystallographic Information in Atom Probe Tomography Data

Published online by Cambridge University Press:  31 January 2019

Daniel Haley ,
Paul A. J. Bagot  and
Michael P. Moody
Daniel Haley*
Affiliation:
Department of Materials, Oxford University, 16 Parks Road, Oxford, OX1 3PH, UK
Paul A. J. Bagot
Affiliation:
Department of Materials, Oxford University, 16 Parks Road, Oxford, OX1 3PH, UK
Michael P. Moody
Affiliation:
Department of Materials, Oxford University, 16 Parks Road, Oxford, OX1 3PH, UK
*
*Author for correspondence: Daniel Haley, E-mail: [email protected]
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Abstract

We report on a new algorithm for the detection of crystallographic information in three-dimensional, as retained in atom probe tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by one-dimensional distribution functions (DFs), as per existing algorithms, but eliminates an unnecessary parameter as compared to current methods.

By examining traditional DFs in an automated fashion in real space, rather than using Fourier transform approaches, we utilize 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 artifacts 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 aluminum 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.

Keywords

atom probecomputer programcrystallographydata analysis
Type
Data Analysis
Information
Microscopy and Microanalysis , Volume 25 , Special Issue 2: Atom Probe Tomography and Microscopy APT&M 2018 , April 2019 , pp. 331 - 337
Copyright
Copyright © Microscopy Society of America 2019 

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References

Araullo-Peters, VJ, Gault, B, Shrestha, SL, Yao, L, Moody, MP, Ringer, SP & Cairney, JM (2012). Atom probe crystallography: Atomic-scale 3-D orientation mapping. Scr Mater 66(11), 907–910.Google Scholar
Babinsky, K, De Kloe, R, Clemens, H & Primig, S (2014). A novel approach for site-specific atom probe specimen preparation by focused ion beam and transmission electron backscatter diffraction. Ultramicroscopy 144, 9–18, ISSN 0304-3991. Available at http://dx.doi.org/10.1016/j.ultramic.2014.04.003.Google Scholar
Boll, T, Al-Kassab, T, Yuan, Y & Liu, ZG (2007). Investigation of the site occupation of atoms in pure and doped intermetallic. Ultramicroscopy 107(9), 796–801, ISSN 0304-3991. Available at http://dx.doi.org/10.1016/j.ultramic.2007.02.011.Google Scholar
Boll, T, Zhu, Z-Y, Al-Kassab, T & Schwingenschlögl, U (2012). Atom probe tomography simulations and density functional theory calculations of bonding energies in Cu3Au. Microsc Microanal 18(5), 964–970.Google Scholar
Dagan, M, Hanna, LR, Xu, A, Roberts, SG, Smith, GDW, Gault, B, Edmondson, PD, Bagot, PAJ & Moody, MP (2015). Imaging of radiation damage using complementary field ion microscopy and atom probe tomography. Ultramicroscopy 159, 387–394. ISSN 0304-3991. Available at http://dx.doi.org/10.1016/j.ultramic.2015.02.017.Google Scholar
Gault, B, Moody, MP, De Geuser, F, Fontaine, AL, Stephenson, LT, Haley, D & Ringer, SP (2010). Spatial resolution in atom probe tomography. Microsc Microanal 16(01), 99–110. Available at http://dx.doi.org/10.1017/S1431927609991267.Google Scholar
Geiser, BP, Kelly, TF, Larson, DJ, Schneir, J & Roberts, JP (2007). Spatial distribution maps for atom probe tomography. Microsc Microanal 13(6), 437–447.Google Scholar
Haley, D, Petersen, T, Barton, G & Ringer, SP (2009). Influence of field evaporation on radial distribution functions in atom probe tomography. Philos Mag 89(11), 925–943. Available at http://dx.doi.org/10.1080/14786430902821610.Google Scholar
Herbig, M, Choi, P & Raabe, D (2015). Combining structural and chemical information at the nanometer scale by correlative transmission electron microscopy and atom probe tomography. Ultramicroscopy 153, 32–39.Google Scholar
Kirchofer, R (2014). Development of a dynamic atom probe. PhD Thesis. Colorado School of Mines. Available at http://hdl.handle.net/11124/440.Google Scholar
Marquis, EA & Hyde, JM (2010). Applications of atom-probe tomography to the characterisation of solute behaviours. Mater Sci, Eng R, Rep 69(4-5), 37–62. ISSN 0927-796X. Available at http://dx.doi.org/10.1016/j.mser.2010.05.001.Google Scholar
Miller, MK, Kelly, TF, Rajan, K & Ringer, SP (2012). The future of atom probe tomography. Mater Today 15(4), 158–165.Google Scholar
Moody, MP, Gault, B, Stephenson, LT, Haley, D & Ringer, SP (2009). Qualification of the tomographic reconstruction in atom probe by advanced spatial distribution map techniques. Ultramicroscopy 109(7), 815–824. ISSN 0304-3991. Available at http://www.sciencedirect.com/science/article/B6TW1-4VWB1DG-2/2/a6ee04f8b42b71c475df62cad7e29984.Google Scholar
Moore, AW (1991). An introductory tutorial on KD-Trees (Excerpt). PhD Thesis. Carnegie Mellon University.Google Scholar
Octave, Developers (2018). Function reference: immaximas. Available at http://octave.sourceforge.net/image/function/immaximas.html (retrieved August 16, 2018).Google Scholar
Pinard, PT, Lagacé, M, Hovington, P, Thibault, D & Gauvin, R (2011). An open-source engine for the processing of electron backscatter patterns: EBSD-image. Microsc Microanal 17(03), 374–385. ISSN 1435-8115. Available at http://dx.doi.org/10.1017/S1431927611000456.Google Scholar
Sijbrandij, SJ, Cerezo, A, Godfrey, TJ & Smith, GDW (1996). Improvements in the mass resolution of the three-dimensional atom probe. Appl Surf Sci, 94–95, 428–433. ISSN 0169-4332. Available at http://dx.doi.org/10.1016/0169-4332(95)00406-8.Google Scholar
Vurpillot, F, Da Costa, G, Menand, A & Blavette, D (2001). Structural analyses in three-dimensional atom probe: A Fourier transform approach. J Microsc 203(3), 295–302.Google Scholar
Vurpillot, F, De Geuser, F and Da Costa, D & Blavette, G (2004). Application of Fourier transform and autocorrelation to cluster identification in the three dimensional atom probe. J Microsc 216(3), 234–240. ISSN 1365-2818. Available at http://dx.doi.org/10.1111/j.0022-2720.2004.01413.x.Google Scholar
Yao, L, Moody, MP, Cairney, JM, Haley, D, Ceguerra, AV, Zhu, C & Ringer, SP (2011). Crystallographic structural analysis in atom probe microscopy via 3D Hough transformation. Ultramicroscopy 111(6), 458–463.Google Scholar