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Title: Development of Powder Diffraction Analysis Tools for aNanocrystalline Specimen: An Emphasis upon NiTi (Nitinol)

Abstract

Powder diffraction is a specialized technique whose investigatory limits are constrained by the scale of the crystallized substance being scanned versus the probe beam used. When disparate in scale, with the photon spot size larger than the crystal being probed, many are employed, the resulting diffraction image being cast from all possible incident angles, constructing {chi}-arcs containing information about the crystalline structure of the material under examination. Of particular interest to our collaboration is the structure of Nitinol, a superelastic Nickel-Titanium alloy, whose phase transformations and load bearing deformations can be studied by usage of diffraction, with wide sweeping biomedical uses. Analysis of this data is complicated by phase transformation and material fluorescence, which make difficult the computational modeling of the peaks within concentric {chi}-arcs. We endeavored to construct a series of computational tools (the amalgamation of them known as 2DPeakFinder) for refining and extracting this relevant data, toward the end of employing previously developed algorithms in the material's structural analysis. We succeeded to a large degree with the use of an iterative algorithm to navigate radial complexity of the signal and manage to retain a distinction between useful signal and superfluous background noise. The tools developed in this projectmore » are a small step in readily streamlining the analysis and physical modeling of a Nanocrystalline material's structural properties.« less

Authors:
;
Publication Date:
Research Org.:
Stanford Linear Accelerator Center (SLAC)
Sponsoring Org.:
USDOE
OSTI Identifier:
891239
Report Number(s):
SLAC-TN-06-023
TRN: US200621%%697
DOE Contract Number:
AC02-76SF00515
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ALGORITHMS; BACKGROUND NOISE; BEARINGS; DIFFRACTION; FLUORESCENCE; NICKEL ALLOYS; PHASE TRANSFORMATIONS; PHOTONS; PROBES; REFINING; SIMULATION; TITANIUM ALLOYS; Other,OTHER

Citation Formats

Owens, Erich, and /Albion Coll. /SLAC. Development of Powder Diffraction Analysis Tools for aNanocrystalline Specimen: An Emphasis upon NiTi (Nitinol). United States: N. p., 2006. Web. doi:10.2172/891239.
Owens, Erich, & /Albion Coll. /SLAC. Development of Powder Diffraction Analysis Tools for aNanocrystalline Specimen: An Emphasis upon NiTi (Nitinol). United States. doi:10.2172/891239.
Owens, Erich, and /Albion Coll. /SLAC. Wed . "Development of Powder Diffraction Analysis Tools for aNanocrystalline Specimen: An Emphasis upon NiTi (Nitinol)". United States. doi:10.2172/891239. https://www.osti.gov/servlets/purl/891239.
@article{osti_891239,
title = {Development of Powder Diffraction Analysis Tools for aNanocrystalline Specimen: An Emphasis upon NiTi (Nitinol)},
author = {Owens, Erich and /Albion Coll. /SLAC},
abstractNote = {Powder diffraction is a specialized technique whose investigatory limits are constrained by the scale of the crystallized substance being scanned versus the probe beam used. When disparate in scale, with the photon spot size larger than the crystal being probed, many are employed, the resulting diffraction image being cast from all possible incident angles, constructing {chi}-arcs containing information about the crystalline structure of the material under examination. Of particular interest to our collaboration is the structure of Nitinol, a superelastic Nickel-Titanium alloy, whose phase transformations and load bearing deformations can be studied by usage of diffraction, with wide sweeping biomedical uses. Analysis of this data is complicated by phase transformation and material fluorescence, which make difficult the computational modeling of the peaks within concentric {chi}-arcs. We endeavored to construct a series of computational tools (the amalgamation of them known as 2DPeakFinder) for refining and extracting this relevant data, toward the end of employing previously developed algorithms in the material's structural analysis. We succeeded to a large degree with the use of an iterative algorithm to navigate radial complexity of the signal and manage to retain a distinction between useful signal and superfluous background noise. The tools developed in this project are a small step in readily streamlining the analysis and physical modeling of a Nanocrystalline material's structural properties.},
doi = {10.2172/891239},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Aug 30 00:00:00 EDT 2006},
month = {Wed Aug 30 00:00:00 EDT 2006}
}

Technical Report:

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  • Thermodynamic data are essential for understanding and evaluating geochemical processes, as by speciation-solubility calculations, reaction -path modeling, or reactive transport simulation. These data are required to evaluate both equilibrium states and the kinetic approach to such states (via the affinity term in rate laws). The development of thermodynamic databases for these purposes has a long history in geochemistry (e.g., Garrels and Christ, 1965; Helgeson et al., 1969; Helgeson et al., 1978, Johnson et al., 1992; Robie and Hemingway, 1995), paralleled by related and applicable work in the larger scientific community (e.g., Wagman et al., 1982, 1989; Cox et al., 1989;more » Barin and Platzki, 1995; Binneweis and Milke, 1999). The Yucca Mountain Project developed two qualified thermodynamic databases for to model geochemical processes, including ones involving repository components such as spent fuel. The first of the two (BSC, 2007a) was for systems containing dilute aqueous solutions only, the other (BSC, 2007b) for systems involving concentrated aqueous solutions and incorporating a model for such based on Pitzer’s (1991) equations . A 25°C-only database with similarities to the latter was also developed for WIPP (cf. Xiong, 2005). The YMP dilute systems database is widely used in the geochemistry community for a variety of applications involving rock/water interactions. The purpose of the present task is to improve these databases for work on the Used Fuel Disposition Project and maintain some semblance of order that will support qualification in support of the development of future underground high level nuclear waste disposal.« less
  • Superelastic NiTi (51.0 at% Ni) with 0, 10 and 20 vol% TiC particles were deformed under uniaxial compression as neutron diffraction spectra were simultaneously obtained. The experiments yielded in-situ measurements of the thermoelastic stress-induced transformation. A detailed Rietveld determination is made of the phase fractions and the evolving strains in the reinforcing TiC particles and the austenite as it transforms to martensite on loading (and its subsequent back transformation on unloading). These strains are used to shed light on the phenomenon of load transfer in composites where the matrix undergoes a stress-induced phase transformation.
  • Understanding the mechanical properties of biomedical devices is critical in predicting and preventing their failure in the body. Such knowledge is essential, for example, in the design of biomedical stents, which must undergo repeated strain over their ten year lifetimes without breaking. Computational models are used to predict mechanical response of a device, but these models are not complete; there are significant deviations from the predictions, especially when devices are subjected to repeated multi-axial loads. Improving these models requires comparisons with actual measurements of strained nitinol. Local measurements of the full strain tensor can be made using X-ray diffraction techniques,more » but they are currently limited to materials whose grain size is larger than the X-ray beam size or require several diffraction patterns produced by rotation of the sample. Nitinol stents are nanocrystalline, with grains smaller than any available X-ray beam. We present a method for measuring the local strain in a nanocrystalline material from a single X-ray diffraction pattern by extending current powder diffraction techniques. The components of the strain tensor are mapped onto a displacement ellipsoid, which is then reconstructed from diffraction data through Bragg's law and least-squares fitting. Using simulated diffraction data, we performed sensitivity tests to examine how the accuracy of the method depends on how much of the diffraction pattern is measured. We found that strain can be accurately calculated from measurements of at least three diffraction arcs of at least 20{sup o} in length. Thus we believe that our method is a viable approach to calculating strain provided a sufficient amount of diffraction pattern is recorded.« less