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Title: Novel trends in pair distribution function approaches on bulk systems with nanoscale heterogeneities

Abstract

Novel materials for high performance applications increasingly exhibit structural order on the nanometer length scale; a domain where crystallography, the basis of Rietveld refinement, fails [1]. In such instances the total scattering approach, which treats Bragg and diffuse scattering on an equal basis, is a powerful approach. In recent years, the analysis of the total scattering data became an invaluable tool and the gold standard for studying nanocrystalline, nanoporous, and disordered crystalline materials. The data may be analyzed in reciprocal space directly, or Fourier transformed to the real-space atomic pair distribution function (PDF) and this intuitive function examined for local structural information. Here we give a number of illustrative examples, for convenience picked from our own work, of recent developments and applications of total scattering and PDF analysis to novel complex materials. There are many other wonderful examples from the work of others.

Authors:
 [1]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States); Columbia Univ., New York, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1303019
Report Number(s):
BNL-112503-2016-JA
Journal ID: ISSN 1044-8632; R&D Project: PO011; KC0201060
Grant/Contract Number:  
SC00112704
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Neutron News
Additional Journal Information:
Journal Volume: 27; Journal Issue: 3; Journal ID: ISSN 1044-8632
Publisher:
Taylor & Francis
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Emil S. Bozin, and Billinge, Simon J. L. Novel trends in pair distribution function approaches on bulk systems with nanoscale heterogeneities. United States: N. p., 2016. Web. doi:10.1080/10448632.2016.1197602.
Emil S. Bozin, & Billinge, Simon J. L. Novel trends in pair distribution function approaches on bulk systems with nanoscale heterogeneities. United States. https://doi.org/10.1080/10448632.2016.1197602
Emil S. Bozin, and Billinge, Simon J. L. 2016. "Novel trends in pair distribution function approaches on bulk systems with nanoscale heterogeneities". United States. https://doi.org/10.1080/10448632.2016.1197602. https://www.osti.gov/servlets/purl/1303019.
@article{osti_1303019,
title = {Novel trends in pair distribution function approaches on bulk systems with nanoscale heterogeneities},
author = {Emil S. Bozin and Billinge, Simon J. L.},
abstractNote = {Novel materials for high performance applications increasingly exhibit structural order on the nanometer length scale; a domain where crystallography, the basis of Rietveld refinement, fails [1]. In such instances the total scattering approach, which treats Bragg and diffuse scattering on an equal basis, is a powerful approach. In recent years, the analysis of the total scattering data became an invaluable tool and the gold standard for studying nanocrystalline, nanoporous, and disordered crystalline materials. The data may be analyzed in reciprocal space directly, or Fourier transformed to the real-space atomic pair distribution function (PDF) and this intuitive function examined for local structural information. Here we give a number of illustrative examples, for convenience picked from our own work, of recent developments and applications of total scattering and PDF analysis to novel complex materials. There are many other wonderful examples from the work of others.},
doi = {10.1080/10448632.2016.1197602},
url = {https://www.osti.gov/biblio/1303019}, journal = {Neutron News},
issn = {1044-8632},
number = 3,
volume = 27,
place = {United States},
year = {Fri Jul 29 00:00:00 EDT 2016},
month = {Fri Jul 29 00:00:00 EDT 2016}
}

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Cu(Ir1 − xCrx)2S4: a model system for studying nanoscale phase coexistence at the metal-insulator transition
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