scholarly journals Reprobing the mechanism of negative thermal expansion in siliceous faujasite

RSC Advances ◽  
2016 ◽  
Vol 6 (24) ◽  
pp. 19903-19909 ◽  
Author(s):  
M. P. Attfield ◽  
M. Feygenson ◽  
J. C. Neuefeind ◽  
T. E. Proffen ◽  
T. C. A. Lucas ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Distribution Function ◽  
Neutron Scattering ◽  
Rietveld Refinement ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Negative Thermal Expansion ◽  
Scattering Data ◽  
Total Neutron ◽  
Expansion Mechanism

Combined Rietveld refinement and pair distribution function analysis of total neutron scattering data unveils the finer details of the negative thermal expansion mechanism of siliceous faujasite.

scholarly journals SASPDF: pair distribution function analysis of nanoparticle assemblies from small-angle scattering data

2020 ◽  
Vol 53 (3) ◽  
pp. 699-709 ◽  
Author(s):  
Chia-Hao Liu ◽  
Eric M. Janke ◽  
Ruipen Li ◽  
Pavol Juhás ◽  
Oleg Gang ◽  
...  
Keyword(s):  
Distribution Function ◽  
Small Angle ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Small Angle Scattering ◽  
Scattering Data ◽  
Nanoparticle Assemblies ◽  
Angle Scattering ◽  
Pdf Analysis ◽  
Crystallite Sizes

SASPDF, a method for characterizing the structure of nanoparticle assemblies (NPAs), is presented. The method is an extension of the atomic pair distribution function (PDF) analysis to the small-angle scattering (SAS) regime. The PDFgetS3 software package for computing the PDF from SAS data is also presented. An application of the SASPDF method to characterize structures of representative NPA samples with different levels of structural order is then demonstrated. The SASPDF method quantitatively yields information such as structure, disorder and crystallite sizes of ordered NPA samples. The method was also used to successfully model the data from a disordered NPA sample. The SASPDF method offers the possibility of more quantitative characterizations of NPA structures for a wide class of samples.

scholarly journals Symmetry-adapted pair distribution function analysis (SAPA): a novel approach to evaluating lattice dynamics and local distortions from total scattering data

2021 ◽  
Vol 54 (5) ◽  
pp. 1514-1520
Author(s):  
Tobias A. Bird ◽  
Anna Herlihy ◽  
Mark S. Senn
Keyword(s):  
Distribution Function ◽  
Lattice Dynamics ◽  
Order Parameter ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Scattering Data ◽  
Input File ◽  
Novel Approach ◽  
Local Distortions ◽  
Online Software

A novel symmetry-adapted pair distribution function analysis (SAPA) method for extracting information on local distortions from pair distribution function data is introduced. The implementation of SAPA is demonstrated in the TOPAS-Academic software using the freely available online software ISODISTORT, and scripts for converting the output from ISODISTORT to a SAPA input file for TOPAS are provided. Finally, two examples are provided to show how SAPA can evaluate the nature of both dynamic distortions in ScF3 and the distortions which act as an order parameter for the phase transitions in BaTiO3.

scholarly journals Local structural studies on Co doped ZnS nanowires by synchrotron X-ray atomic pair distribution function and micro-Raman shift

RSC Advances ◽  
2017 ◽  
Vol 7 (59) ◽  
pp. 37402-37411 ◽  
Author(s):  
U. P. Gawai ◽  
B. N. Dole
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Scattering Data ◽  
Raman Shift ◽  
X Ray ◽  
Atomic Structures ◽  
Atomic Pair Distribution Function ◽  
X Ray Scattering ◽  
Atomic Pair

The atomic structures of nanowires were studied by X-ray atomic pair distribution function analysis and total synchrotron X-ray scattering data. A PDF method was used to describe a wurtzite and zinc-blended mixed phase model.

scholarly journals Effect of molten sodium nitrate on the decomposition pathways of hydrated magnesium hydroxycarbonate to magnesium oxide probed by in situ total scattering

Nanoscale ◽  
2020 ◽  
Vol 12 (31) ◽  
pp. 16462-16473
Author(s):  
Margarita Rekhtina ◽  
Alessandro Dal Pozzo ◽  
Dragos Stoian ◽  
Andac Armutlulu ◽  
Felix Donat ◽  
...  
Keyword(s):  
Distribution Function ◽  
Sodium Nitrate ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Magnesium Carbonate ◽  
Scattering Data ◽  
Total Scattering ◽  
Molten Sodium ◽  
Complementary Techniques

We use pair distribution function analysis of in situ total scattering data and complementary techniques to reveal how molten NaNO3 modifies the decomposition pathways of a hydrated magnesium carbonate to the formation of MgO.

Sign in / Sign up

Export Citation Format

Share Document