skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Bayesian Approaches to Uncertainty Quantification and Structure Refinement from X-Ray Diffraction

Authors:
; ; ; ;  [1]
  1. NCSU
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
National Science Foundation (NSF)
OSTI Identifier:
1476077
Resource Type:
Book
Resource Relation:
Related Information: Materials Discovery and Design By Means of Data Science and Optimal Learning
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Paterson, Alisa R., Reich, Brian J., Smith, Ralph C., Wilson, Alyson G., and Jones, Jacob L. Bayesian Approaches to Uncertainty Quantification and Structure Refinement from X-Ray Diffraction. United States: N. p., 2018. Web. doi:10.1007/978-3-319-99465-9_4.
Paterson, Alisa R., Reich, Brian J., Smith, Ralph C., Wilson, Alyson G., & Jones, Jacob L. Bayesian Approaches to Uncertainty Quantification and Structure Refinement from X-Ray Diffraction. United States. doi:10.1007/978-3-319-99465-9_4.
Paterson, Alisa R., Reich, Brian J., Smith, Ralph C., Wilson, Alyson G., and Jones, Jacob L. Tue . "Bayesian Approaches to Uncertainty Quantification and Structure Refinement from X-Ray Diffraction". United States. doi:10.1007/978-3-319-99465-9_4.
@article{osti_1476077,
title = {Bayesian Approaches to Uncertainty Quantification and Structure Refinement from X-Ray Diffraction},
author = {Paterson, Alisa R. and Reich, Brian J. and Smith, Ralph C. and Wilson, Alyson G. and Jones, Jacob L.},
abstractNote = {},
doi = {10.1007/978-3-319-99465-9_4},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {10}
}

Book:
Other availability
Please see Document Availability for additional information on obtaining the full-text document. Library patrons may search WorldCat to identify libraries that hold this book.

Save / Share:

Works referenced in this record:

A high energy synchrotron x-ray study of crystallographic texture and lattice strain in soft lead zirconate titanate ceramics
journal, October 2004

  • Hall, D. A.; Steuwer, A.; Cherdhirunkorn, B.
  • Journal of Applied Physics, Vol. 96, Issue 8
  • DOI: 10.1063/1.1787590

Importance sampling algorithms for Bayesian networks: Principles and performance
journal, May 2006


Domain texture distributions in tetragonal lead zirconate titanate by x-ray and neutron diffraction
journal, February 2005

  • Jones, Jacob L.; Slamovich, Elliott B.; Bowman, Keith J.
  • Journal of Applied Physics, Vol. 97, Issue 3
  • DOI: 10.1063/1.1849821

Bayesian method for the analysis of diffraction patterns using BLAND
journal, December 2016

  • Lesniewski, Joseph E.; Disseler, Steven M.; Quintana, Dylan J.
  • Journal of Applied Crystallography, Vol. 49, Issue 6
  • DOI: 10.1107/S1600576716016423

Bayesian inference of x-ray diffraction spectra from warm dense matter with the one-component-plasma model
journal, December 2016


The estimation of standard deviations in powder diffraction Rietveld refinements
journal, April 1983


In situ measurement of increased ferroelectric/ferroelastic domain wall motion in declamped tetragonal lead zirconate titanate thin films
journal, February 2015

  • Wallace, M.; Johnson-Wilke, R. L.; Esteves, G.
  • Journal of Applied Physics, Vol. 117, Issue 5
  • DOI: 10.1063/1.4907394

Effect of a crystallite size distribution on X-ray diffraction line profiles and whole-powder-pattern fitting
journal, June 2000

  • Langford, J. I.; Louër, D.; Scardi, P.
  • Journal of Applied Crystallography, Vol. 33, Issue 3
  • DOI: 10.1107/S002188980000460X

Accounting for unknown systematic errors in Rietveld refinements: a Bayesian statistics approach
journal, July 2015


Deaging and Asymmetric Energy Landscapes in Electrically Biased Ferroelectrics
journal, April 2012


GSAS-II : the genesis of a modern open-source all purpose crystallography software package
journal, March 2013


The Rietveld Method: A Retrospection
journal, December 2010


Labile Ferroelastic Nanodomains in Bilayered Ferroelectric Thin Films
journal, September 2009

  • Anbusathaiah, Varatharajan; Kan, Daisuke; Kartawidjaja, Fransiska C.
  • Advanced Materials, Vol. 21, Issue 34
  • DOI: 10.1002/adma.200803701

Bayesian approach to powder phase identification
journal, April 2017

  • Mikhalychev, Alexander; Ulyanenkov, Alex
  • Journal of Applied Crystallography, Vol. 50, Issue 3
  • DOI: 10.1107/S1600576717004393

A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials
journal, February 2017

  • Iamsasri, Thanakorn; Guerrier, Jonathon; Esteves, Giovanni
  • Journal of Applied Crystallography, Vol. 50, Issue 1
  • DOI: 10.1107/S1600576716020057

A Bayesian three-stage model in crystallography
journal, September 1978


Robust misinterpretation of confidence intervals
journal, January 2014

  • Hoekstra, Rink; Morey, Richard D.; Rouder, Jeffrey N.
  • Psychonomic Bulletin & Review, Vol. 21, Issue 5
  • DOI: 10.3758/s13423-013-0572-3

Space-group determination from powder diffraction data: a probabilistic approach
journal, November 2004

  • Altomare, Angela; Caliandro, Rocco; Camalli, Mercedes
  • Journal of Applied Crystallography, Vol. 37, Issue 6
  • DOI: 10.1107/S0021889804023982

Size–strain line-broadening analysis of the ceria round-robin sample
journal, November 2004

  • Balzar, D.; Audebrand, N.; Daymond, M. R.
  • Journal of Applied Crystallography, Vol. 37, Issue 6
  • DOI: 10.1107/S0021889804022551

In situ characterization of polycrystalline ferroelectrics using x-ray and neutron diffraction
journal, November 2014

  • Esteves, Giovanni; Fancher, Chris M.; Jones, Jacob L.
  • Journal of Materials Research, Vol. 30, Issue 3
  • DOI: 10.1557/jmr.2014.302

Bayesian approach to the Rietveld refinement of Poisson-distributed powder diffraction data
journal, December 2010


Bayesian approach applied to the Rietveld method
journal, October 2014


Piezoelectric Thin Films for Sensors, Actuators, and Energy Harvesting
journal, September 2009

  • Muralt, P.; Polcawich, R. G.; Trolier-McKinstry, S.
  • MRS Bulletin, Vol. 34, Issue 9
  • DOI: 10.1557/mrs2009.177

Strain state of bismuth zinc niobate pyrochlore thin films
journal, June 2009


The analysis of powder diffraction data
journal, March 1982


Testing different methods for estimating uncertainties on Rietveld refined parameters using SrRietveld
journal, December 2011

  • Tian, Peng; Billinge, Simon
  • Zeitschrift für Kristallographie, Vol. 226, Issue 12
  • DOI: 10.1524/zkri.2011.1421

Maximum Entropy and Bayesian Statistics in Crystallography: a Review of Practical Applications
journal, July 1996

  • Gilmore, C. J.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 52, Issue 4
  • DOI: 10.1107/S0108767396001560

Comparison of profile and integrated-intensity methods in powder refinement
journal, June 1981


Background estimation using a robust Bayesian analysis
journal, May 2001


A profile refinement method for nuclear and magnetic structures
journal, June 1969


A Bayesian Approach to Laue Diffraction Analysis and its Potential for Time-Resolved Protein Crystallography
journal, November 1996

  • Bourenkov, G. P.; Popov, A. N.; Bartunik, H. D.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 52, Issue 6
  • DOI: 10.1107/S0108767396005648

A Bayesian approach for denoising one-dimensional data
journal, May 2012

  • Hogg III, Charles R.; Mullen, Katharine; Levin, Igor
  • Journal of Applied Crystallography, Vol. 45, Issue 3
  • DOI: 10.1107/S0021889812015154

Certification of NIST Standard Reference Material 640d
journal, June 2010

  • Black, David R.; Windover, Donald; Henins, Albert
  • Powder Diffraction, Vol. 25, Issue 2
  • DOI: 10.1154/1.3409482

Line profiles of neutron powder-diffraction peaks for structure refinement
journal, January 1967


Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis
journal, August 2016

  • Fancher, Chris M.; Han, Zhen; Levin, Igor
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep31625

Bayesian inference of nanoparticle-broadened X-ray line profiles
journal, January 2004

  • Armstrong, N.; Kalceff, W.; Cline, J. P.
  • Journal of Research of the National Institute of Standards and Technology, Vol. 109, Issue 1
  • DOI: 10.6028/jres.109.012

An analysis of the Rietveld refinement method
journal, December 1979