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  1. Article ; Online: Advancing neutron diffraction for accurate structural measurement of light elements at megabar pressures.

    Haberl, Bianca / Guthrie, Malcolm / Boehler, Reinhard

    Scientific reports

    2023  Volume 13, Issue 1, Page(s) 4741

    Abstract: Over the last 60 years, the diamond anvil cell (DAC) has emerged as the tool of choice in high pressure science because materials can be studied at megabar pressures using X-ray and spectroscopic probes. In contrast, the pressure range for neutron ... ...

    Abstract Over the last 60 years, the diamond anvil cell (DAC) has emerged as the tool of choice in high pressure science because materials can be studied at megabar pressures using X-ray and spectroscopic probes. In contrast, the pressure range for neutron diffraction has been limited due to low neutron flux even at the strongest sources and the resulting large sample sizes. Here, we introduce a neutron DAC that enables break-out of the previously limited pressure range. Key elements are ball-bearing guides for improved mechanical stability, gem-quality synthetic diamonds with novel anvil support and improved in-seat collimation. We demonstrate a pressure record of 1.15 Mbar and crystallographic analysis at 1 Mbar on the example of nickel. Additionally, insights into the phase behavior of graphite to 0.5 Mbar are described. These technical and analytical developments will further allow structural studies on low-Z materials that are difficult to characterize by X-rays.
    Language English
    Publishing date 2023-03-23
    Publishing country England
    Document type Journal Article
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-023-31295-3
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Incommensurate Spiral Spin Order in CaMn

    Marshall, Madalynn / Wang, Haozhe / Dos Santos, Antonio M / Haberl, Bianca / Xie, Weiwei

    Inorganic chemistry

    2023  Volume 63, Issue 4, Page(s) 1736–1744

    Abstract: High-pressure neutron diffraction is employed to investigate the magnetic behavior of ... ...

    Abstract High-pressure neutron diffraction is employed to investigate the magnetic behavior of CaMn
    Language English
    Publishing date 2023-11-28
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1484438-2
    ISSN 1520-510X ; 0020-1669
    ISSN (online) 1520-510X
    ISSN 0020-1669
    DOI 10.1021/acs.inorgchem.3c02379
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Behavior of Long-Chain Hydrocarbons at High Pressures and Temperatures

    Basu, Abhisek / Mookherjee, Mainak / McMahan, Ericka / Haberl, Bianca / Boehler, Reinhard

    Journal of physical chemistry. 2022 Mar. 25, v. 126, no. 13

    2022  

    Abstract: Although long-chain aliphatic hydrocarbons are documented in meteorites, their origin is poorly understood. A key question is whether they are pristine or a byproduct of terrestrial alteration? To understand if these long-chain hydrocarbons are ... ...

    Abstract Although long-chain aliphatic hydrocarbons are documented in meteorites, their origin is poorly understood. A key question is whether they are pristine or a byproduct of terrestrial alteration? To understand if these long-chain hydrocarbons are indigenous, it will be important to explore their thermodynamic and mechanical stability at conditions experienced by extraterrestrial objects during atmospheric entry and passage. Extreme pressures and temperatures experienced by meteorites are likely to alter the molecular organization of these long-chain hydrocarbons. These structural changes associated with extreme conditions are often documented via laboratory-based Raman spectroscopic measurements. So far, Raman spectroscopic measurements have investigated the effect of static compression on the aliphatic hydrocarbons. The effect of temperature on the structural changes remains poorly explored. To bridge this gap, in this study, we have explored the behavior of two aliphatic hydrocarbons at simultaneously high pressures and temperatures. We have used a resistively heated diamond anvil cell. On compression to moderate pressures, the appearance of new vibrational modes in the low-energy region confirms prior studies and is related to the bending of the linear chains. Upon heating to ∼220 °C, we note that the new low-energy mode undergoes softening. The mode softening is likely due to the combination of unbending of the alkane chain and mode anharmonicity.
    Keywords alkanes ; byproducts ; physical chemistry ; spectroscopy ; temperature
    Language English
    Dates of publication 2022-0325
    Size p. 2530-2537.
    Publishing place American Chemical Society
    Document type Article
    ISSN 1520-5207
    DOI 10.1021/acs.jpcb.1c10786
    Database NAL-Catalogue (AGRICOLA)

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  4. Article ; Online: Behavior of Long-Chain Hydrocarbons at High Pressures and Temperatures.

    Basu, Abhisek / Mookherjee, Mainak / McMahan, Ericka / Haberl, Bianca / Boehler, Reinhard

    The journal of physical chemistry. B

    2022  Volume 126, Issue 13, Page(s) 2530–2537

    Abstract: Although long-chain aliphatic hydrocarbons are documented in meteorites, their origin is poorly understood. A key question is whether they are pristine or a byproduct of terrestrial alteration? To understand if these long-chain hydrocarbons are ... ...

    Abstract Although long-chain aliphatic hydrocarbons are documented in meteorites, their origin is poorly understood. A key question is whether they are pristine or a byproduct of terrestrial alteration? To understand if these long-chain hydrocarbons are indigenous, it will be important to explore their thermodynamic and mechanical stability at conditions experienced by extraterrestrial objects during atmospheric entry and passage. Extreme pressures and temperatures experienced by meteorites are likely to alter the molecular organization of these long-chain hydrocarbons. These structural changes associated with extreme conditions are often documented via laboratory-based Raman spectroscopic measurements. So far, Raman spectroscopic measurements have investigated the effect of static compression on the aliphatic hydrocarbons. The effect of temperature on the structural changes remains poorly explored. To bridge this gap, in this study, we have explored the behavior of two aliphatic hydrocarbons at simultaneously high pressures and temperatures. We have used a resistively heated diamond anvil cell. On compression to moderate pressures, the appearance of new vibrational modes in the low-energy region confirms prior studies and is related to the bending of the linear chains. Upon heating to ∼220 °C, we note that the new low-energy mode undergoes softening. The mode softening is likely due to the combination of unbending of the alkane chain and mode anharmonicity.
    MeSH term(s) Alkanes ; Hydrocarbons/chemistry ; Pressure ; Spectrum Analysis, Raman ; Temperature
    Chemical Substances Alkanes ; Hydrocarbons
    Language English
    Publishing date 2022-03-25
    Publishing country United States
    Document type Journal Article ; Research Support, U.S. Gov't, Non-P.H.S.
    ISSN 1520-5207
    ISSN (online) 1520-5207
    DOI 10.1021/acs.jpcb.1c10786
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Book ; Online: Incommensurate Spiral Spin Order in CaMn$_2$Bi$_2$ observed via High Pressure Neutron Diffraction

    Marshall, Madalynn / Wang, Haozhe / Santos, Antonio M. dos / Haberl, Bianca / Xie, Weiwei

    2023  

    Abstract: High pressure neutron diffraction is employed to investigate the magnetic behavior of CaMn$_2$Bi$_2$ in extreme conditions. In contrast to antiferromagnetic ordering on Mn atoms reported at ambient pressure, our results reveal that at high pressure, ... ...

    Abstract High pressure neutron diffraction is employed to investigate the magnetic behavior of CaMn$_2$Bi$_2$ in extreme conditions. In contrast to antiferromagnetic ordering on Mn atoms reported at ambient pressure, our results reveal that at high pressure, incommensurate spiral spin order emerges due to the interplay between magnetism on the Mn atoms and strong spin-orbit coupling on the Bi atoms: sinusoidal spin order is observed at pressures as high as 7.4 GPa. Competing antiferromagnetic order is observed at different temperatures in the partially frustrated lattice. This research provides a unique toolbox for conducting experimental magnetic and spin dynamics studies on magnetic quantum materials via high pressure neutron diffraction.
    Keywords Condensed Matter - Materials Science
    Publishing date 2023-12-01
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Article ; Online: Preface: Special Topic on Advances in Modern Neutron Diffraction at Oak Ridge National Laboratory.

    Page, Katharine / Haberl, Bianca / Coates, Leighton / Tucker, Matthew

    The Review of scientific instruments

    2018  Volume 89, Issue 9, Page(s) 92601

    Language English
    Publishing date 2018-10-01
    Publishing country United States
    Document type Journal Article
    ZDB-ID 209865-9
    ISSN 1089-7623 ; 0034-6748
    ISSN (online) 1089-7623
    ISSN 0034-6748
    DOI 10.1063/1.5055785
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Extensively Microtwinned Diamond with Nanolaminates of Lonsdaleite Formed by Flash Laser Heating of Glassy Carbon.

    Cook, Brenton / Reineck, Philipp / Shiell, Thomas / Bradby, Jodie / Esser, Bryan D / Etheridge, Joanne / Haberl, Bianca / Boehler, Reinhard / McKenzie, David R / McCulloch, Dougal G

    Nano letters

    2023  Volume 23, Issue 22, Page(s) 10311–10316

    Abstract: Diamond's unique properties on the nanoscale make it one of the most important materials for use in biosensors and quantum computing and for components that can withstand the harsh environments of space. We synthesize oriented, faceted diamond particles ... ...

    Abstract Diamond's unique properties on the nanoscale make it one of the most important materials for use in biosensors and quantum computing and for components that can withstand the harsh environments of space. We synthesize oriented, faceted diamond particles by flash laser heating of glassy carbon at 16 GPa and 2300 K. Detailed transmission electron microscopy shows them to consist of a mosaic of diamond nanocrystals frequently joined at twin boundaries forming microtwins. Striking 3-fold translational periodicity was observed in both imaging and diffraction. This periodicity was shown to originate from nanodimensional wedge-shaped overlapping regions of twinned diamond and not from a possible 9R polytype, which has also been reported in other group IVa elements and water ice. Extended bilayers of hexagonal layer stacking were observed, forming lonsdaleite nanolaminates. The particles exhibited optical fluorescence with a rapid quench time (<1 ns) attributed to their unique twinned microstructure.
    Language English
    Publishing date 2023-11-02
    Publishing country United States
    Document type Journal Article
    ISSN 1530-6992
    ISSN (online) 1530-6992
    DOI 10.1021/acs.nanolett.3c02900
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: 3D-printed B

    Haberl, Bianca / Molaison, Jamie J / Frontzek, Matthias / Novak, Eric C / Granroth, Garrett E / Goldsby, Desarae / Anderson, David C / Elliott, Amy M

    The Review of scientific instruments

    2021  Volume 92, Issue 9, Page(s) 93903

    Abstract: A design for an incident-beam collimator for the Paris-Edinburgh pressure cell is described here. This design can be fabricated from reaction-bonded ... ...

    Abstract A design for an incident-beam collimator for the Paris-Edinburgh pressure cell is described here. This design can be fabricated from reaction-bonded B
    Language English
    Publishing date 2021-10-01
    Publishing country United States
    Document type Journal Article
    ZDB-ID 209865-9
    ISSN 1089-7623 ; 0034-6748
    ISSN (online) 1089-7623
    ISSN 0034-6748
    DOI 10.1063/5.0055095
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Synthesis of Novel Phases in Si Nanowires Using Diamond Anvil Cells at High Pressures and Temperatures.

    Huston, Larissa Q / Lugstein, Alois / Shen, Guoyin / Cullen, David A / Haberl, Bianca / Williams, Jim S / Bradby, Jodie E

    Nano letters

    2021  Volume 21, Issue 3, Page(s) 1427–1433

    Abstract: Silicon has several technologically promising allotropes that are formed via high-pressure synthesis. One of these phases (hd) has been predicted to have a direct band gap under tensile strain, whereas other (r8 and bc8) phases are predicted to have ... ...

    Abstract Silicon has several technologically promising allotropes that are formed via high-pressure synthesis. One of these phases (hd) has been predicted to have a direct band gap under tensile strain, whereas other (r8 and bc8) phases are predicted to have narrow band gaps and good absorption across the solar spectrum. Pure volumes of these phases cannot be made using conventional nanowire growth techniques. In this work, Si nanowires were compressed up to ∼20 GPa and then decompressed using a diamond anvil cell in the temperature range of 25-165 °C. It was found that at intermediate temperatures, near-phase-pure bc8-Si nanowires were produced, whereas amorphous Si (a-Si) dominated at lower temperatures, and a direct transformation to the diamond cubic phase (dc-Si) occurred at higher temperatures under compression. Thus this study has opened up a new pressure-temperature pathway for the synthesis of novel Si nanowires consisting of designed phase components with transformative properties.
    Language English
    Publishing date 2021-01-27
    Publishing country United States
    Document type Journal Article
    ISSN 1530-6992
    ISSN (online) 1530-6992
    DOI 10.1021/acs.nanolett.0c04354
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Neutron scattering study of polyamorphic THF·17(H

    Brant Carvalho, Paulo H B / Ivanov, Mikhail / Andersson, Ove / Loerting, Thomas / Bauer, Marion / Tulk, Chris A / Haberl, Bianca / Daemen, Luke L / Molaison, Jamie J / Amann-Winkel, Katrin / Lyubartsev, Alexander P / Bull, Craig L / Funnell, Nicholas P / Häussermann, Ulrich

    Physical chemistry chemical physics : PCCP

    2023  Volume 25, Issue 21, Page(s) 14981–14991

    Abstract: From crystalline tetrahydrofuran clathrate hydrate, THF-CH (THF· ... ...

    Abstract From crystalline tetrahydrofuran clathrate hydrate, THF-CH (THF·17H
    Language English
    Publishing date 2023-05-31
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d3cp00539a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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