Gaussian kernel density functions for compositional quantification in atom probe tomography
- Instituto de Microscopía Electrónica y Materiales, Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cádiz, Campus Río San Pedro, s/n, Puerto Real, Cádiz 11510 (Spain)
- Department of Computer Science and Engineering, University of Cádiz, Avda. de la Universidad de Cádiz, no 10, 11519 Cádiz (Spain)
Highlights: • A methodology for compositional quantification from atom probe tomography is proposed. • A probability density function p(x) given discrete data points is constructed. • Each atom approximated by a Gaussian function with a particular smoothing parameter. • Density Kernel functions are used to find the optimum smoothing parameter. • The method is validated by using simulated data of semiconductor materials. - Abstract: Atom probe tomography (APT) has the ability to identify the nature and position of single atoms in a material with an almost 3D atomic resolution. However, the quantification of the material composition requires an appropriate treatment of the discrete APT data. When the amount of atoms selected to quantify the composition is relatively small, the spatial resolution is enhanced but the statistical error worsens. Conversely, the increase in the number of atoms considered reduces the spatial resolution, but improving the statistics. We have developed a methodology to reach an optimum equilibrium between the positional and the statistical error in an unsupervised form using Gaussian Kernel density functions. The validity of the method has been tested using APT simulated data of semiconductor materials. It has been proved that the chemical quantification in these materials requires the appropriate selection of the smoothing parameter, obtained without user intervention. In addition, the results have been compared to the usual techniques for composition measurement from APT data (voxelization and proximity histograms), showing better precision for high spatial resolution. This work supplies a data driven methodology based in Gaussian Kernel density functions for the accurate quantification of the composition from APT data.
- OSTI ID:
- 22804966
- Journal Information:
- Materials Characterization, Vol. 139; Other Information: Copyright (c) 2017 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1044-5803
- Country of Publication:
- United States
- Language:
- English
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