Exploring the accuracy limits of lattice strain quantification with synthetic diffraction data

C. Zhang; T. R. Bieler; P. Eisenlohr

doi:10.1016/j.scriptamat.2018.05.028

Exploring the accuracy limits of lattice strain quantification with synthetic diffraction data

C. Zhang
, T. R. Bieler
, P. Eisenlohr

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

From a collection of scattering vectors obtained by synchrotron X-ray diffraction, the lattice strain can be spatially quantified. This paper explores the inherent accuracy limits by comparing a least-squares regression and an optimization method applied to synthetic diffraction data excluding any measurement uncertainties potentially present in real experiments. The optimization method in combination with a novel fitness function can identify the deviatoric/full lattice deformation gradient with accuracy better than 10⁻⁹. The least-squares regression is much less accurate unless all scattering vector lengths are known, in which case the exact lattice deformation gradient can be recovered.

Original language	English
Pages (from-to)	127-130
Number of pages	4
Journal	Scripta Materialia
Volume	154
DOIs	https://doi.org/10.1016/j.scriptamat.2018.05.028
State	Published - Sep 2018
Externally published	Yes

Funding

This research was supported by the U.S. Department of Energy , Office of Science, Office of Basic Energy Sciences, through grant DE-FG02-09ER46637 and in part by Michigan State University through computational resources provided by the Institute for Cyber-Enabled Research.

Keywords

COBYLA
Differential aperture X-ray microscopy (DAXM)
Lattice deformation gradient
Least-squares regression

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10.1016/j.scriptamat.2018.05.028

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abstract = "From a collection of scattering vectors obtained by synchrotron X-ray diffraction, the lattice strain can be spatially quantified. This paper explores the inherent accuracy limits by comparing a least-squares regression and an optimization method applied to synthetic diffraction data excluding any measurement uncertainties potentially present in real experiments. The optimization method in combination with a novel fitness function can identify the deviatoric/full lattice deformation gradient with accuracy better than 10−9. The least-squares regression is much less accurate unless all scattering vector lengths are known, in which case the exact lattice deformation gradient can be recovered.",

keywords = "COBYLA, Differential aperture X-ray microscopy (DAXM), Lattice deformation gradient, Least-squares regression",

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AU - Zhang, C.

AU - Bieler, T. R.

AU - Eisenlohr, P.

PY - 2018/9

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N2 - From a collection of scattering vectors obtained by synchrotron X-ray diffraction, the lattice strain can be spatially quantified. This paper explores the inherent accuracy limits by comparing a least-squares regression and an optimization method applied to synthetic diffraction data excluding any measurement uncertainties potentially present in real experiments. The optimization method in combination with a novel fitness function can identify the deviatoric/full lattice deformation gradient with accuracy better than 10−9. The least-squares regression is much less accurate unless all scattering vector lengths are known, in which case the exact lattice deformation gradient can be recovered.

AB - From a collection of scattering vectors obtained by synchrotron X-ray diffraction, the lattice strain can be spatially quantified. This paper explores the inherent accuracy limits by comparing a least-squares regression and an optimization method applied to synthetic diffraction data excluding any measurement uncertainties potentially present in real experiments. The optimization method in combination with a novel fitness function can identify the deviatoric/full lattice deformation gradient with accuracy better than 10−9. The least-squares regression is much less accurate unless all scattering vector lengths are known, in which case the exact lattice deformation gradient can be recovered.

KW - COBYLA

KW - Differential aperture X-ray microscopy (DAXM)

KW - Lattice deformation gradient

KW - Least-squares regression

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VL - 154

SP - 127

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JO - Scripta Materialia

JF - Scripta Materialia

ER -

Exploring the accuracy limits of lattice strain quantification with synthetic diffraction data

Abstract

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Keywords

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