A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials

Thanakorn Iamsasri; Jonathon Guerrier; Giovanni Esteves; Chris M. Fancher; Alyson G. Wilson; Ralph C. Smith; Elizabeth A. Paisley; Raegan Johnson-Wilke; Jon F. Ihlefeld; Nazanin Bassiri-Gharb; Jacob L. Jones

doi:10.1107/S1600576716020057

A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials

Thanakorn Iamsasri
, Jonathon Guerrier
, Giovanni Esteves
, Chris M. Fancher
, Alyson G. Wilson
, Ralph C. Smith
, Elizabeth A. Paisley
, Raegan Johnson-Wilke
, Jon F. Ihlefeld
, Nazanin Bassiri-Gharb
, Jacob L. Jones

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

4 Scopus citations

Abstract

A new statistical approach for modeling diffraction profiles is introduced, using Bayesian inference and a Markov chain Monte Carlo (MCMC) algorithm. This method is demonstrated by modeling the degenerate reflections during application of an electric field to two different ferroelectric materials: thin-film lead zirconate titanate (PZT) of composition PbZr_0.3Ti_0.7O₃ and a bulk commercial PZT polycrystalline ferroelectric. The new method offers a unique uncertainty quantification of the model parameters that can be readily propagated into new calculated parameters.

Original language	English
Pages (from-to)	211-220
Number of pages	10
Journal	Journal of Applied Crystallography
Volume	50
Issue number	1
DOIs	https://doi.org/10.1107/S1600576716020057
State	Published - Feb 1 2017
Externally published	Yes

Keywords

Bayesian inference
domain switching fraction
ferroelectric materials
modeling diffraction profiles

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10.1107/S1600576716020057

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Iamsasri, T., Guerrier, J., Esteves, G., Fancher, C. M., Wilson, A. G., Smith, R. C., Paisley, E. A., Johnson-Wilke, R., Ihlefeld, J. F., Bassiri-Gharb, N., & Jones, J. L. (2017). A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials. Journal of Applied Crystallography, 50(1), 211-220. https://doi.org/10.1107/S1600576716020057

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abstract = "A new statistical approach for modeling diffraction profiles is introduced, using Bayesian inference and a Markov chain Monte Carlo (MCMC) algorithm. This method is demonstrated by modeling the degenerate reflections during application of an electric field to two different ferroelectric materials: thin-film lead zirconate titanate (PZT) of composition PbZr0.3Ti0.7O3 and a bulk commercial PZT polycrystalline ferroelectric. The new method offers a unique uncertainty quantification of the model parameters that can be readily propagated into new calculated parameters.",

keywords = "Bayesian inference, domain switching fraction, ferroelectric materials, modeling diffraction profiles",

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AU - Iamsasri, Thanakorn

AU - Guerrier, Jonathon

AU - Esteves, Giovanni

AU - Fancher, Chris M.

AU - Wilson, Alyson G.

AU - Smith, Ralph C.

AU - Paisley, Elizabeth A.

AU - Johnson-Wilke, Raegan

AU - Ihlefeld, Jon F.

AU - Bassiri-Gharb, Nazanin

AU - Jones, Jacob L.

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AB - A new statistical approach for modeling diffraction profiles is introduced, using Bayesian inference and a Markov chain Monte Carlo (MCMC) algorithm. This method is demonstrated by modeling the degenerate reflections during application of an electric field to two different ferroelectric materials: thin-film lead zirconate titanate (PZT) of composition PbZr0.3Ti0.7O3 and a bulk commercial PZT polycrystalline ferroelectric. The new method offers a unique uncertainty quantification of the model parameters that can be readily propagated into new calculated parameters.

KW - Bayesian inference

KW - domain switching fraction

KW - ferroelectric materials

KW - modeling diffraction profiles

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SP - 211

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JO - Journal of Applied Crystallography

JF - Journal of Applied Crystallography

IS - 1

ER -

A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials

Abstract

Keywords

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