<i>DShaper</i> [electronic resource] : an approach for handling missing low- <i>Q</i> data in pair distribution function analysis of nanostructured systems.
Pair Distribution Function Data Analysis; Shape Functions; Nanostructured Systems; Dshaper; Radial-Distribution Function; Small-Angle Scattering; X-Ray-Diffraction; Atomic-Structure; Nanoparticles; Disorder; Nanocrystals; Simulation; Mechanism; Size.
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| Online Access: |
Online Access (via OSTI) |
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| Corporate Author: | |
| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. Office of Basic Energy Sciences ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2015.
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| Subjects: |
MARC
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| 245 | 0 | 0 | |a <i>DShaper</i> |h [electronic resource] : |b an approach for handling missing low- <i>Q</i> data in pair distribution function analysis of nanostructured systems. |
| 260 | |a Washington, D.C. : |b United States. Department of Energy. Office of Basic Energy Sciences ; |a Oak Ridge, Tenn. : |b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, |c 2015. | ||
| 300 | |a 1651-1659 : |b digital, PDF file. | ||
| 336 | |a text |b txt |2 rdacontent. | ||
| 337 | |a computer |b c |2 rdamedia. | ||
| 338 | |a online resource |b cr |2 rdacarrier. | ||
| 500 | |a Published through SciTech Connect. | ||
| 500 | |a 10/13/2015. | ||
| 500 | |a Journal of Applied Crystallography (Online) 48 6 ISSN 1600-5767; JACGAR AM. | ||
| 500 | |a Daniel Olds; Hsiu-Wen Wang; Katharine Page. | ||
| 520 | 3 | |a <p>Our article discusses the potential problems and currently available solutions in modeling powder-diffraction-based pair distribution function (PDF) data from systems where morphological feature information content includes distances in the nanometre length scale, such as finite nanoparticles, nanoporous networks and nanoscale precipitates in bulk materials. Moreover, the implications of an experimental finite minimum<italic>Q</italic>value are reviewed by simulation, which also demonstrates the advantages of combining PDF data with small-angle scattering data. Finally, we introduced a simple Fortran90 code,<italic>DShaper</italic>, which may be incorporated into PDF data fitting routines in order to approximate the so-called ̀shape function' for any atomistic model.</p> | |
| 520 | 0 | |a Pair Distribution Function Data Analysis; Shape Functions; Nanostructured Systems; Dshaper; Radial-Distribution Function; Small-Angle Scattering; X-Ray-Diffraction; Atomic-Structure; Nanoparticles; Disorder; Nanocrystals; Simulation; Mechanism; Size. | |
| 536 | |b AC05-00OR22725. | ||
| 536 | |b KC040602. | ||
| 536 | |b AC52-06NA25396. | ||
| 650 | 7 | |a Condensed Matter Physics, Superconductivity And Superfluidity. |2 edbsc. | |
| 710 | 2 | |a Oak Ridge National Laboratory. |4 res. | |
| 710 | 1 | |a United States. |b Department of Energy. |b Office of Basic Energy Sciences. |4 spn. | |
| 710 | 1 | |a United States. |b Department of Energy. |b Office of Scientific and Technical Information. |4 dst. | |
| 856 | 4 | 0 | |u http://www.osti.gov/scitech/biblio/1261488 |z Online Access (via OSTI) |
| 907 | |a .b90443512 |b 03-09-23 |c 02-15-17 | ||
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| 952 | f | f | |p Can circulate |a University of Colorado Boulder |b Online |c Online |d Online |e E 1.99:1261488 |h Superintendent of Documents classification |i web |n 1 |