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Recent developments in the texture analysis program ANAELU

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Abstract

The ANAELU program is part of the current trend towards 2D diffraction patterns processing. ANAELU is open source, distributed under MPL license. The basic conception of the program is that the user proposes the crystalline structure of the phase under study and the inverse pole figure of the considered texture. With this data, using the tools of mathematical texture analysis, the program simulates and graphically represents the 2D-XRD pattern of the model sample. An important feature of the considered patterns is the distribution of intensities along the Debye rings. The visual comparison between observed and calculated patterns is the criterion of correctness of the proposed model. The program has been successfully used in the characterization of materials for electronic applications, alloys and minerals. Some limitations that have been detected in the use of ANAELU are the limited number of input formats that it is able to read, the program relative slowness, the non-consideration of the diffraction background and the poor portability. The present update consists in the improvement of the raised aspects. ANAELU-2.0 presents the following innovations. (a) A new GUI has been created, in WxPython, associated with a system for reading experimental patterns through the FabIO library. The current system reads patterns in the most internationally used formats. (b) The calculation of diffraction patterns, from the generation of the unit cell to the diffracted intensities, has been translated to FORTRAN 2003 with systematic use of the CRYSFML library. This change reduces the running time by one order. (c) Various routines (Laplacian softening, spherical harmonics) have been introduced to model the two-dimensional background. (d) The current version, ANAELU2.0, can be distributed by means of stable executable packages in Windows, LINUX and IOS wraped by MiniConda.

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Figure 1a and b reproduced from [22] with permission (2014) Elsevier

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Reproduced from [21] with permission from the International Union of Crystallography

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Reproduced from [21] with permission from the International Union of Crystallography

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References

  1. H.R. Wenk, Preferred Orientation in Deformed Metal and Rocks: An Introduction to Modern Texture Analysis. (Elsevier, Amsterdam, 2016)

    Google Scholar 

  2. M. Sánchez del Río, et al., Variability in sepiolite: diffraction studies. Am. Miner. 96(10), 1443–1454 (2011)

    Article  Google Scholar 

  3. X. Shen et al., Evolution of microstructure and crystallographic texture of microalloyed steel during warm rolling in dual phase region and their influence on mechanical properties. Mater. Sci. Eng. A 685, 194–204 (2017)

    Article  Google Scholar 

  4. H.-J. Bunge, Texture Analysis in Materials Science: Mathematical Methods. (Elsevier, Amsterdam, 2013)

    Google Scholar 

  5. J. Einhorn et al., Crystallographic texture of straight-rolled α-uranium foils via neutron and X-ray diffraction. J. Appl. Crystallogr. 50(3), 859–865 (2017)

    Article  Google Scholar 

  6. M.A. Khan et al., Synchrotron X-ray diffraction to understand crystallographic texture of enamel affected by Hunter syndrome. Arch. Oral Biol. 2017. https://doi.org/10.1016/j.archoralbio.2017.04.019.

    Google Scholar 

  7. S. Ouhenia et al., Microstructure and crystallographic texture of Charonia lampas lampas shell. J. Struct Biol 163(2), 175–184 (2008)

    Article  Google Scholar 

  8. S.S. Parkin et al., Giant tunnelling magnetoresistance at room temperature with MgO (100) tunnel barriers. Nat Mater. 3(12), 862–867 (2004)

    Article  Google Scholar 

  9. S. Bae et al., Effects of gas-cluster ion beam processing on physical, magnetic, and giant magnetoresistance properties of α-Fe2O3 bottom spin-valves. J. Magn. Magn. Mater. 320(14), 2001–2009 (2008)

    Article  Google Scholar 

  10. Z. Wang et al., Efficient ambient-air-stable solar cells with 2D–3D heterostructured butylammonium-caesium-formamidinium lead halide perovskites. Nat. Energy 2(9), 17135 (2017)

    Article  Google Scholar 

  11. T. Kimura, Application of texture engineering to piezoelectric ceramics-a review. J. Ceram. Soc. Jpn. 114(1325), 15–25 (2006)

    Article  Google Scholar 

  12. L. Fuentes, Magnetic-coupling properties in polycrystals. Texture Stress Microstruct. 30(3–4), 167–189 (1998)

    Article  Google Scholar 

  13. L. Fuentes-Cobas et al., Advances in magnetoelectric materials and their application. Handbook Magn. Mater. 24, 237–322 (2015)

    Article  Google Scholar 

  14. S. Gruner, E. Eikenberry, M. Tate, Comparison of X-ray detectors, in International Tables for Crystallography Volume F: Crystallography of biological macromolecules. (Springer, New York, 2006, pp. 143–147)

    Book  Google Scholar 

  15. S.M. Gruner, M.W. Tate, E.F. Eikenberry, Charge-coupled device area X-ray detectors. Rev. Sci. Instrum. 73, 2815 (2002)

    Article  Google Scholar 

  16. D.L. Bish et al., X-ray diffraction results from Mars Science Laboratory: mineralogy of Rocknest at Gale crater. Science 341(6153), 1238932 (2013)

    Article  Google Scholar 

  17. Y. Jia et al., Thickness dependence of exchange coupling in (111)-oriented perovskite oxide superlattices. Phys. Rev. B 93(10), 104403 (2016)

    Article  Google Scholar 

  18. D. Pérez-Mezcua et al., Influence of excesses of volatile elements on structure and composition of solution derived lead-free (Bi0.50Na0.50)1xBaxTiO3 thin films. J. Eur. Ceram. Soc. 36, 89–100 (2016)

    Article  Google Scholar 

  19. B.B. He, Two-Dimensional X-ray Diffraction. (Wiley, New York, 2011)

    Google Scholar 

  20. A. Hammersley, FIT2D: a multi-purpose data reduction, analysis and visualization program. J. Appl. Crystallogr. 49(2), 646–652 (2016)

    Article  Google Scholar 

  21. L. Fuentes-Montero, M.E. Montero-Cabrera, L. Fuentes-Cobas, The software package ANAELU for X-ray diffraction analysis using two-dimensional patterns. J. Appl. Crystallogr. 44(1), 241–246 (2011)

    Article  Google Scholar 

  22. A. Sáenz-Trevizo et al., Microstructural, chemical and textural characterization of ZnO nanorods synthesized by aerosol assisted chemical vapor deposition. Mater. Charact. 98, 215–221 (2014)

    Article  Google Scholar 

  23. M. Torres et al., Fabricating ordered functional nanostructures onto polycrystalline substrates from the bottom-up. J. Nanopart. Res. 14(10), 1–10 (2012)

    Article  Google Scholar 

  24. C. Giacovazzo, Fundamentals of Crystallography, vol. 7 (Oxford University Press, Oxford, 2002)

    Google Scholar 

  25. N. Rappin, R. Dunn, wxPython in Action. (Manning Publications Co., New York, 2006)

    Google Scholar 

  26. S.J. Chapman, Fortran for Scientist and Engineers: 1995–2003. (McGraw-Hill, New York, 2008)

    Google Scholar 

  27. J. Rodriguez-Carvajal, J. González-Platas, Crystallographic Fortran 90 Modules Library (CrysFML): a simple toolbox for crystallographic computing programs. Commission on Crystallographic Computing of IUCr, Newsletter, 2003. 1

  28. J. Hafner, Ab-initio simulations of materials using VASP: Density-functional theory and beyond. J. Comput Chem 29(13), 2044–2078 (2008)

    Article  Google Scholar 

  29. S. Scandolo et al., First-principles codes for computational crystallography in the Quantum-ESPRESSO package. Zeitschrift für Kristallographie-Crystalline Materials 220(5/6), 574–579 (2005)

    Article  Google Scholar 

  30. X. Gonze et al., Recent developments in the ABINIT software package. Comput. Phys. Commun. 205, 106–131 (2016)

    Article  Google Scholar 

  31. K. Aidas et al., The Dalton quantum chemistry program system. Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4(3), 269–284 (2014)

    Google Scholar 

  32. L.A. Montero-Cabrera et al., CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine. J. Chem Phys 127(14), 10B607 (2007)

    Article  Google Scholar 

  33. A.C. Larson, R.B. Von Dreele, General Structure Analysis System (GSAS), in Los Alamos National Laboratory Report 1994. Los Alamos National Laboratory, Los Alamos, New Mexico.

  34. J. Rodriguez-Carvajal, FULLPROF: a program for Rietveld refinement and pattern matching analysis. Satellite Meeting on powder diffraction of the XV congress of the IUCr. Toulouse, France. (1990)

  35. P. Peterson, F2PY: a tool for connecting Fortran and Python programs. Int. J. Comput. Sci. Eng. 4(4), 296–305 (2009)

    Google Scholar 

  36. E.B. Knudsen et al., FabIO: easy access to two-dimensional X-ray detector images in Python. J. Appl. Crystallogr. 46(2), 537–539 (2013)

    Article  Google Scholar 

Download references

Acknowledgements

Support from Consejo Nacional de Ciencia y Tecnología (CONACYT), México, Projects 257912, 270738 and 183706, is acknowledged. The experimental component of the present research has been sustained by the Stanford and Elettra synchrotrons.

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Authors and Affiliations

  1. Advanced Materials Research Center, 31136, Chihuahua, Mexico

    Diana C. Burciaga-Valencia, Edgar E. Villalobos-Portillo, María E. Montero-Cabrera & Luis E. Fuentes-Cobas

  2. Department of Applied Physics, CINVESTAV IPN Unidad-Mérida, 97310, Mérida, Mexico

    José A. Marín-Romero

  3. European Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000, Grenoble, France

    Manuel Sánchez del Río

  4. Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK

    Luis Fuentes-Montero

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  1. Diana C. Burciaga-Valencia
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  2. Edgar E. Villalobos-Portillo
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  3. José A. Marín-Romero
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  4. Manuel Sánchez del Río
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  6. Luis E. Fuentes-Cobas
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  7. Luis Fuentes-Montero
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Correspondence to Luis Fuentes-Montero.

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Burciaga-Valencia, D.C., Villalobos-Portillo, E.E., Marín-Romero, J.A. et al. Recent developments in the texture analysis program ANAELU. J Mater Sci: Mater Electron 29, 15376–15382 (2018). https://doi.org/10.1007/s10854-018-8919-1

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