Rietveld refinement with spallation neutron powder diffraction data

Dreele, Robert B. Von; Jorgensen, J. D.; Windsor, C. G.

doi:10.1107/s0021889882012722

Cited by 498 publications

(236 citation statements)

References 8 publications

Supporting

Mentioning

234

Contrasting

Order By: Relevance

“…A typical diffraction pattern is shown in Fig. 4(b) where the symbols represent the measured intensity and the line is the fit predicted by the Rietveld least squares refinement [13,14]. The lower curve is the difference between the measured and Rietveld predicted intensities.…”

Section: Methodsmentioning

confidence: 99%

“…The Rietveld analysis fits the entire diffraction pattern to determine an overall crystal structure with multiple variables including the atom positions and lattice parameters. However, this study addresses the strain development measured using specific hkl reflections and therefore we used single peak fits, as described in [14], to determine the peak positions and thereby the lattice spacings, d hkl . A comparison between Rietveld and single peak fits is made in [15].…”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Lattice strain evolution during uniaxial tensile loading of stainless steel

Clausen

Lorentzen

Bourke

et al. 1999

Materials Science and Engineering: A

275

134

View full text Add to dashboard Cite

Applied and residual lattice strains were determined by neutron diffraction during a tensile test of a weakly textured austenitic stainless steel and were compared to the predictions of a self-consistent polycrystal deformation model. Parallel to the tensile axis the model predictions are generally within the resolution of the diffraction measurements, but perpendicular to the tensile axis discrepancies are noted. Discrepancies between model and measurements were greater for the residual lattice strains than during loading. It is postulated that this is because the model does not predict reverse plasticity during unload.

show abstract

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Lattice strain evolution during uniaxial tensile loading of stainless steel

Clausen

Lorentzen

Bourke

et al. 1999

Materials Science and Engineering: A

275

134

View full text Add to dashboard Cite

show abstract

“…Profile function developed by Von Dreele et al was used for the Rietveld analysis [23]. The background was modeled by 16-terms Chebyschev polynomial function model in GSAS.…”

Section: Experimental Methodsmentioning

confidence: 99%

In-situ powder neutron diffraction study on the formation process of LaMg 2 NiH 7

Sato

Ikeda

Matsuo

et al. 2017

International Journal of Hydrogen Energy

View full text Add to dashboard Cite

The formation process from the intermetallic compound LaMg2Ni to a complex hydride (deuteride) LaMg2NiD7 composed of La 3+ , 2×Mg 2+ , [NiD4] 4-, and 3×D -was investigated by in-situ powder neutron diffraction under deuterium gas pressure at room temperature. Below 0.001 MPa, small amount of deuterium was initially dissolved in the lattice of LaMg2Ni forming LaMg2NiD0.05 and two new hydride phases (LaMg2NiD x 1 and LaMg2NiD x 2) were continuously yielded. Furthermore, LaMg2NiD4.6 with NiD1.9 and NiD3.3 units and interstitial deuterium atoms was formed prior to appearing of LaMg2NiD7. From their Bragg peak positions, the deuterium contents x1, and x2 were inferred as 0.05 < x1 < x2 < 4.6. At approximately 0.001 MPa, LaMg2NiD7 started forming. Since the intermediate deuterides had similar metal atomic framework of LaMg2Ni, we revealed that LaMg2NiD7 formation proceeded through multiple deuteride phases with maintaining of the metal atomic framework of LaMg2Ni.

show abstract

“…In this experiment, the diffraction spectra obtained form the SMARTS and HIPPO diffractometers were analyzed via a full-pattern Rietveld analysis using the GSAS software package [15]. The space group of the PZT sample used in the Rietveld method was P4mm for a tetragonal phase.…”

Section: Discussionmentioning

confidence: 99%

Dynamic processes of domain switching in lead zirconate titanate under cyclic mechanical loading by in situ neutron diffraction

et al. 2010

View full text Add to dashboard Cite

The performance of ferroelectric ceramics is governed by the ability of domains to switch. A decrease in the switching ability can lead to degradation of the materials and failure of ferroelectric devices. In this work the dynamic properties of domain reorientation are studied. In situ time-of-flight neutron diffraction is used to probe the evolution of ferroelastic domain texture under mechanical cyclic loading in bulk lead zirconate titanate ceramics. The high sensitivity of neutron diffraction to lattice strain is exploited to precisely analyze the change of domain texture and strain through a full-pattern Rietveld method. These results are then used to construct a viscoelastic model, which explains the correlation between macroscopic phenomena (i.e. creep and recovered deformation) and microscopic dynamic behavior (i.e. ferroelastic switching, lattice strain).

show abstract

Rietveld refinement with spallation neutron powder diffraction data

Cited by 498 publications

References 8 publications

Lattice strain evolution during uniaxial tensile loading of stainless steel

Lattice strain evolution during uniaxial tensile loading of stainless steel

In-situ powder neutron diffraction study on the formation process of LaMg 2 NiH 7

Dynamic processes of domain switching in lead zirconate titanate under cyclic mechanical loading by in situ neutron diffraction

Contact Info

Product

Resources

About