A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory

Calder, Stuart; An, Ke; Boehler, R.; Cruz, Clarina Dela; Frontzek, Matthias; Guthrie, Malcolm; Haberl, Bianca; Huq, Ashfia; Kimber, Simon A. J.; Liu, Jue; Molaison, Jamie J.; Neuefeind, Jöerg C.; Page, Katharine; Santos, A. M. dos; Taddei, Keith M.; Tulk, Christopher; Tucker, Matthew G.

doi:10.1063/1.5033906

Cited by 103 publications

(46 citation statements)

References 94 publications

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“…High-resolution synchrotron X-ray powder diffraction data were collected at room temperature ( K) at the Advanced Photon Source at Argonne National Laboratory using beamline 11-BM ( ). Neutron powder diffraction measurements were performed at Oak Ridge National Laboratory using two complementary techniques: time of flight data were collected on the BL-11A POWGEN instrument at the Spallation Neutron Source and constant-wavelength neutron powder diffraction data were collected at the High-Flux Isotope Reactor facility (HFIR) using HB-2A 49 . Rietveld refinements were performed on all collected data using the Fullprof refinement software suite 48 .…”

Section: Methodsmentioning

confidence: 99%

Magnetic and structural properties of the solid solution CuAl2(1−x)Ga2xO4

Bullard

Susner

Taddei

et al. 2021

Sci Rep

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CuAl2O4 is a ternary oxide spinel with Cu2+ ions ($$s=1/2$$ s = 1 / 2 ) primarily populating the A-site diamond sublattice. The compound is reported to display evidence of spin glass behavior but possess a non-frozen magnetic ground state below the transition temperature. On the other hand, the spinel CuGa2O4 displays spin glass behavior at ~ 2.5 K with Cu2+ ions more readily tending to the B-site pyrochlore sublattice. Therefore, we investigate the magnetic and structural properties of the solid solution CuAl2(1-x)Ga2xO4 examining the evolution of the magnetic behavior as Al3+ is replaced with a much larger Ga3+ ion. Our results show that the Cu2+ ions tend to migrate from tetrahedral to octahedral sites as the Ga3+ ion concentration increases, resulting in a concomitant change in the glassy magnetic properties of the solution. Results indicate glassy behavior for much of the solution with a general trend towards decreasing magnetic frustration as the Cu2+ ion shifts to the B-site. However, the $$x=0.1$$ x = 0.1 and 0.2 members of the system do not show glassy behavior down to our measurement limit (1.9 K) suggesting a delayed spin glass transition. We suggest that these two members are additional candidates for investigation to access highly frustrated exotic quantum states.

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Section: Methodsmentioning

confidence: 99%

Magnetic and structural properties of the solid solution CuAl2(1−x)Ga2xO4

Bullard

Susner

Taddei

et al. 2021

Sci Rep

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“…On TOPAZ X is fixed to 135 o ; on SNAP X and Φ are fixed to 0 o . The Spallation Neutrons and Pressure (SNAP) instrument is a high-flux diffractometer primarily used for powder diffraction (Calder et al, 2018). SNAP uses area detectors of the same type as TOPAZ arranged in two 3x3 detector banks which allow for a Q-coverage of Q = 0.7-24.0Å in the equatorial plane, depending on the detector positions (horizontal and vertical coverage: ±22.5 o ).…”

Section: Methodsmentioning

confidence: 99%

On single-crystal neutron-diffraction in DACs: quantitative structure refinement of light elements on SNAP and TOPAZ

Massani

Loveday

Molaison

et al. 2020

High Pressure Research

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Quantitative single crystal neutron-diffraction in diamond anvil cells has so far been to limited by the neutron flux available at the various neutron sources. As a result, highly precise measurements of the exact position of light elements have not been possible preventing, for example, structural studies of hydrogen and hydrogen bonds under pressure. Here we report experiments carried out on SNAP at the Spallation Neutron Source (ORNL, TN, USA) to explore the possibility and current limits of such studies. Furthermore, we benchmarked the obtained data quality with reference experiments carried out on TOPAZ, a dedicated single-crystal instrument. We show that measuring single-crystal diffraction intensities on SNAP is possible to such a precision that we are able to resolve the hydrogen bonds in potassium dideuterium phosphate (DKDP) as well as in ice VI.

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“…Local atomic structure studies and combined diffraction and PDF studies are primary missions of the Nanoscale Ordered Materials Diffractometer (NOMAD) (Neuefeind et al, 2012) and the proposed DISCOVER beamlines at the SNS (Calder et al, 2018). However, with its ability to measure PDF data up to over 100 Å in real space, POWGEN fills an important need for combined high-resolution Bragg scattering and disordered crystalline PDF studies, particularly when intermediate length scales (30-100 Å or more) are of interest.…”

Section: Figure 10mentioning

confidence: 99%

POWGEN: rebuild of a third-generation powder diffractometer at the Spallation Neutron Source

Huq¹,

Kirkham²,

Peterson³

et al. 2019

J Appl Cryst

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The neutron powder diffractometer POWGEN at the Spallation Neutron Source has recently (2017–2018) undergone an upgrade which resulted in an increased detector complement along with a full overhaul of the structural design of the instrument. The current instrument has a solid angular coverage of 1.2 steradians and maintains the original third-generation concept, providing a single-histogram data set over a wide d-spacing range and high resolution to access large unit cells, detailed structural refinements and in situ/operando measurements.

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A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory

Cited by 103 publications

References 94 publications

Magnetic and structural properties of the solid solution CuAl2(1−x)Ga2xO4

Magnetic and structural properties of the solid solution CuAl2(1−x)Ga2xO4

On single-crystal neutron-diffraction in DACs: quantitative structure refinement of light elements on SNAP and TOPAZ

POWGEN: rebuild of a third-generation powder diffractometer at the Spallation Neutron Source

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