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MAUD Rietveld Refinement Software for Neutron Diffraction Texture Studies of Single- and Dual-Phase Materials

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Abstract

This work presents a detailed instructional demonstration using the Rietveld refinement software MAUD for evaluating the crystallographic texture of single- and dual-phase materials, as applied to High-Pressure-Preferred-Orientation (HIPPO) neutron diffraction data obtained at Los Alamos National Laboratory (LANL) and electron backscatter diffraction (EBSD) pole figures on Ti–6Al–4V produced by additive manufacturing. This work addresses a number of hidden challenges intrinsic to Rietveld refinement and operation of the software to improve users’ experiences when using MAUD. A systematic evaluation of each step in the MAUD refinement process is described, focusing on devising a consistent refinement process for any version of MAUD and any material system, while also calling out required updates to previously developed processes. A number of possible issues users may encounter are documented and explained, along with a multilayered assessment for validating when a MAUD refinement procedure is finished for any dataset. A brief discussion on appropriate sample symmetries is also included to highlight possible oversimplifications of the texture data extracted from MAUD. Included in the appendix of this work are two systematic walkthroughs applying the process described. Files for these walkthroughs can be found at the data repository located at: https://doi.org/10.18434/mds2-2400.

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Acknowledgements

This research, JKT, and AJC were supported by the Department of the Navy, Office of Naval Research under ONR award number N00014-18-1-2794. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the Office of Naval Research. AIS was supported by the National Science Foundation Graduate Research Fellowship under Grant No. (2019260337) during the preparation of this manuscript. KDC thanks the Center for Advanced Non-Ferrous Structural Alloys (CANFSA), a National Science Foundation Industry/University Cooperative Research Center (I/UCRC) [Award No. 1624836], at the Colorado School of Mines (Mines) and EBM thanks the Advanced Steel Processing and Products Research Center (ASPPRC) at Mines during the preparation of this manuscript. APC and JTB acknowledge the support of the National Institute of Standards and Technology, US Department of Commerce, in obtaining the large-scale EBSD and during data analysis and the preparation of this manuscript. Neutron diffraction was supported by the U.S. Department of Energy through the Los Alamos National Laboratory (LANL) and benefited from the use of the Lujan Neutron Scattering Center at LANSCE, LANL. LANL is operated by Triad National Security, LLC, for the National Nuclear Security Administration of U.S. Department of Energy (Contract No. 89233218CNA000001). The authors would also like to thank Chase Joslin and James Ferguson for producing the samples tested here. Access to the Oak Ridge National Laboratory’s (ORNL) additive manufacturing equipment at ORNL’s Manufacturing Demonstration Facility (MDF) was facilitated by US Department of Energy’s Strategic Partnership Projects (SPP) mechanism. More information can be found at https://science.energy.gov/lp/strategic-partnership-projects. Research sponsored by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Industrial Technologies Program, under contract DE-AC05-00OR22725 with UT-Battelle, LLC.

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Authors and Affiliations

  1. Colorado School of Mines, Golden, CO, USA

    Alec I. Saville, Emily B. Mitchell, Jonah Klemm-Toole, Kester D. Clarke & Amy J. Clarke

  2. National Institute of Standards and Technology, Gaithersburg, MD, USA

    Adam Creuziger

  3. Los Alamos National Laboratory, Los Alamos, NM, USA

    Sven C. Vogel

  4. National Institute of Standards and Technology, Boulder, CO, USA

    Jake T. Benzing

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  1. Alec I. Saville
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  2. Adam Creuziger
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  3. Emily B. Mitchell
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  4. Sven C. Vogel
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  5. Jake T. Benzing
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  6. Jonah Klemm-Toole
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  7. Kester D. Clarke
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Correspondence to Alec I. Saville.

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Certain commercial equipment, instruments, or materials are identified in this paper in order to specify the experimental procedure adequately. Such identification is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose.

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Saville, A.I., Creuziger, A., Mitchell, E.B. et al. MAUD Rietveld Refinement Software for Neutron Diffraction Texture Studies of Single- and Dual-Phase Materials. Integr Mater Manuf Innov 10, 461–487 (2021). https://doi.org/10.1007/s40192-021-00224-5

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