cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2420175-1
title: The structure of liquid helium in nanoconfinement

description: Liquid 4He has long served as a model and relatively accessible system in which to study boson phase transitions in disordered quantum matter. In particular, the lambda-transition at 2.17 K leads to a superfluid Bose-Einstein condensate (BEC) which has been studied extensively by both experimental and theoretical methods. To this day, the nature of coherence in the liquid state arising from the formation of a BEC in liquid 4He remains a fundamental and challenging topic, with ramifications across condensed matter physics and quantum many-body systems, and beyond, even into cosmology and particle physics. The aim of this proposal is to measure the structure factor of liquid 4He in the bulk and in nanoscale confinement of MCM-41 (pore diameter 5 nm), in both the normal and superfluid states at 4.0 K and 2.0 K. By exploiting the extended Q-range and high count-rate of NIMROD we will be able to determine at high-resolution the local and intermediate-range structure of 4He. We will therefore be able to detect even subtle changes in liquid structure on formation of a BEC, but also to determine via MCM-41 pore-pore Bragg peak intensity any changes in pore-filling and/or small angle scattering. Thus, new insight into an archetypal strongly interacting quantum liquid.
DOI: 10.5286/isis.e.rb2590101-1
title: Refinement of single crystal of Li6.5La3Nb0.5Zr1.5O12
DOI: 10.34816/ifao.archives.232930
title: SAQQARA_nb_1994_05986

description: Référence : nb_1994_05986<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/qcl-fyh-d8g
title: Parietaria pensylvanica Muhl. ex Willd.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xct-785-akd
title: Senecio trifurcatus (G. Forst.) Less.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410022
title: Resolving the collapse mechanism of responsive block copolymer brushes for controlled gene delivery
DOI: 10.5286/isis.e.rb2410022-1
title: Resolving the collapse mechanism of responsive block copolymer brushes for controlled gene delivery
DOI: 10.5286/isis.e.rb2590110-1
title: Crystalline Electric Field of Polycrystalline La3PrNi2O7
DOI: 10.3535/mwd-g9g-s9w
title: Boehmeria cylindrica (L.) Sw.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qb6-8k5-231
title: Rubus geoides Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2090089-1
title: Study of momentum distributions of Li in 10Li2O-90B2O3
DOI: 10.5286/isis.e.rb2500013
title: Neutron diffraction of steel corrosion using a custom-made flow cell at IMAT

description: Corrosion is major challenge to many industries such as oil and gas, transportation, manufacturing industries. Unexpected failures and leakages of corroded industrial infrastructure may lead to accidents and risks to human life. To study this complex phenomenon and to gain better understanding of the corrosion mechanism on surface and sub surface of steel, neutron imaging combined with diffraction is currently under development. For this study, a flow cell is used to monitor and analyse the process in real time. We have built a custom flow-cell for tomography and diffraction analysis and have collected tomography data on IMAT but have not yet had the opportunity to test the cell for neutron diffraction. We would like to use one of the IMAT diffraction modules without radial collimator, to characterize our new corrosion cell for neutron diffraction, using previously corroded samples to complement existing neutron imaging data. We request rapid access beamtime to collect diffraction data to finalise one publication in which we link imaging and phase composition, and to successfully finalise the IMAT-Leeds PhD project work (ending on June 2025). We kindly request beamtime rapid access in the next cycle starting from Feb 2025.
DOI: 10.5286/isis.e.rb2500013-1
title: Neutron diffraction of steel corrosion using a custom-made flow cell at IMAT

description: Corrosion is major challenge to many industries such as oil and gas, transportation, manufacturing industries. Unexpected failures and leakages of corroded industrial infrastructure may lead to accidents and risks to human life. To study this complex phenomenon and to gain better understanding of the corrosion mechanism on surface and sub surface of steel, neutron imaging combined with diffraction is currently under development. For this study, a flow cell is used to monitor and analyse the process in real time. We have built a custom flow-cell for tomography and diffraction analysis and have collected tomography data on IMAT but have not yet had the opportunity to test the cell for neutron diffraction. We would like to use one of the IMAT diffraction modules without radial collimator, to characterize our new corrosion cell for neutron diffraction, using previously corroded samples to complement existing neutron imaging data. We request rapid access beamtime to collect diffraction data to finalise one publication in which we link imaging and phase composition, and to successfully finalise the IMAT-Leeds PhD project work (ending on June 2025). We kindly request beamtime rapid access in the next cycle starting from Feb 2025.
DOI: 10.3535/4a0-j3n-5qw
title: Populus deltoides subsp. deltoides

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/v3y-s2q-fak
title: Lithospermum longiflorum (Pursh) Spreng.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2090089
title: Study of momentum distributions of Li in 10Li2O-90B2O3
DOI: 10.5286/isis.e.rb2320181-2
title: Investigations to improve the thermal stability and magnetization of epitaxial Fe16N2 thin films by alloying with Al and Mn

description: Fe16N2 is known for having a giant saturation magnetization Ms (far above Fe-Co alloy), yet establishing it for high-performance permanent magnet applications is difficult due to its poor thermal stability and low magnetic anisotropy (MA). Fe16N2 can be a viable low-cost and environment friendly alternative due to its formation from the most plentiful elements, provided its thermal stability and MA can be improved while maintaining the high Ms. According to recent theoretical calculations, alloying Fe16N2 by varying the amount of valance electrons can be a successful strategy for simultaneously enhancing the MA and the thermal stability. Al and Mn were reported to be the most efficient dopants among a large range of metals. They are predicted to reduce the formation energy, increase the MA significantly, and preserve high Ms of Fe16N2. In the proposed study, reactive magnetron co-sputtering will be used to deposit epitaxial isotope multilayers of undoped, 5 at.% Al, and 5 at.% Mn doped [Fe15MN2 (5 nm)/57Fe15MN2 (5 nm)]x10 (M = Fe, Al, Mn) samples on MgO (001) substrate. The thermal stability by studying Fe self-diffusion and the Ms will then be assessed concurrently in pristine and vacuum annealed samples employing polarized neutron reflectivity. The obtained data will be utilized to establish the relationship between the dopant, thermal stability, and Ms of Fe16N2 in order to fulfill its potential as a high-performance permanent magnet.
DOI: 10.5286/isis.e.rb2467107-2
title: The effect of hydrogen on the deformation behavior of zirconium alloys at elevated temperatures

description: Hydrogen ingress inevitably happens in zirconium alloy parts during the operation of nuclear reactors: resultantly hydrides form at low temperatures as brittle phases that can significantly reduce the alloys’ ductility and fracture toughness. Interestingly, upon the increase of testing temperature to above 200ºC, there is a brittle to ductile transition for hydride containing zirconium alloys. Possible mechanisms that might control the transition to ductile deformation might be associated with plasticity in both zirconium and/or hydrides, and enhanced plasticity in zirconium due to solute hydrogen atoms (hydrogen enabled softening). This proposal utilizes in-situ uniaxial tensile tests during diffraction at elevated temperatures on zirconium samples with and without hydrogen, so that the effect of solute hydrogen atoms on the activation of different slip systems can be studied through the analysis of lattice strain evolution. The generated strain data will be complemented by in-situ SEM HRDIC tests that reveal strain localization on individual grains. The goal is to understand whether solute hydrogen atoms can induce deformation behavior change of zirconium, and the magnitude of softening if there is, and providing deeper understanding of the brittle-ductile transition behavior.
DOI: 10.3535/m94-yqy-xsy
title: Lithospermum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ttc-zma-jxp
title: Orbexilum onobrychis (Nutt.) Rydb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310513-1
title: Mapping the phonon dispersion of BaBiO3

description: The perovskite BaBiO3 displays a complex phase diagram as a function of temperature and doping, offering a rich playground to explore the role of phonons on the emergence of collective quantum states. BaBiO3 was recently predicted to host topologically protected metallic surfaces, pointing also to the potential of this material as a thermoelectric candidate. However, the investigation of the role of structural transitions in the determination of the relevant transport properties remained mainly unexplored, theoretically and experimentally. In this proposal we are interested to investigate phonon dispersion in the two low-temperature phases, aiming at interpreting our recent heat transport experiments in single-crystalline BaBiO3.
DOI: 10.5286/isis.e.rb2510248
title: Structure and magnetism of Sr3Fe4S2O5 obtained by topochemical reduction of Sr3Fe4S2O6

description: This proposal is to fully characterise the structural changes and changes in magnetic ordering following reduction of Fe3+ ions to Fe2+ ions in the reduction product of a new mixed-valent iron oxide chalcogenide compound.
DOI: 10.5286/isis.e.rb2510248-1
title: Structure and magnetism of Sr3Fe4S2O5 obtained by topochemical reduction of Sr3Fe4S2O6

description: This proposal is to fully characterise the structural changes and changes in magnetic ordering following reduction of Fe3+ ions to Fe2+ ions in the reduction product of a new mixed-valent iron oxide chalcogenide compound.
DOI: 10.3535/74s-3qk-92d
title: Lithospermum caroliniense (J. F. Gmel.) Mac Mill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/gst-ylm-qn2
title: Lithospermum caroliniense (J. F. Gmel.) Mac Mill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310513
title: Mapping the phonon dispersion of BaBiO3

description: The perovskite BaBiO3 displays a complex phase diagram as a function of temperature and doping, offering a rich playground to explore the role of phonons on the emergence of collective quantum states. BaBiO3 was recently predicted to host topologically protected metallic surfaces, pointing also to the potential of this material as a thermoelectric candidate. However, the investigation of the role of structural transitions in the determination of the relevant transport properties remained mainly unexplored, theoretically and experimentally. In this proposal we are interested to investigate phonon dispersion in the two low-temperature phases, aiming at interpreting our recent heat transport experiments in single-crystalline BaBiO3.
DOI: 10.5286/isis.e.rb2420385-2
title: Inelastic Neutron Scattering Study of defective half-Heusler Material

description: Typical Half-Heusler compounds, identified as promising high temperature thermoelectric materials due to their unexpected semiconducting nature and good thermal properties. Several HH compounds are recently found to contain high concentrations of vacancies. These vacancies exhibit some specific distributions, such as short-range ordering in Nb0.8CoSb and possible Zig-zag distribution in Eu2ZnSb2. Intriguingly, these vacancy defective compounds exhibit much lower lattice thermal conductivity than their counterparts without vacancies. Here, we synthesized a series of ZrCoSb vacancy-defective compounds that can control the degree of vacancy order and thermal conductivity without changing their composition. These defective ZrCoSb samples can be considered as a hierarchical structure of order at different length scales, short-range order in some samples and long-range order in others. However, a comprehensive understanding is missing due to the lack of an experimental measurements and analysis of lattice dynamics in those compounds. In this proposal, we want to apply neutron scattering technique to study the dynamic spectra, hence to assess the significance of vacancies in the suppression of lattice thermal conductivity.
DOI: 10.3535/6dl-qdc-agc
title: Clematicissus striata subsp. striata

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xgp-rpp-dw2
title: Juncus effusus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2428000-1
title: ReMade: Lattice oxygen coupling in Ni-based perovskites for oxygen evolution reaction catalysis
DOI: 10.5286/isis.e.rb2510184
title: Determination of Local structure – ferroelectric property relationships in (La,Nd)1/3NbO3

description: Improving capacitors for power electronic applications requires new dielectric materials that can withstand high electric fields. Relaxor ferroelectrics (RFE) and Quasi linear dielectrics (QLD) are able to achieve this, whilst maintaining a high permittivity. Typically, REF and QLD materials are very chemically complex so the structural effects that cause this behaviour are hard to determine. Our recent work on La1/3NbO3 and Nd1/3NbO3 has shown that at cryogenic temperatures, RFE and incipient ferroelectric behaviours (which have the same permittivity-temperature profiles as QLD) are observed. Both these materials are not chemically complex and have orthorhombic Cmmm crystal symmetry at RT. Neutron studies had previously been conducted at cryogenic temperatures for La1/3NbO3, however, a phase transition which typically coincides with a peak in permittivity was not observed. In similar materials that have observed RFE behaviour with no phase changes, local structural effects (octahedral tilting and cation displacements) have been determined to be the cause for a peak in permittivity. We request 2 days of beam-time on POLARIS to collect total neutron scattering data to investigate the local structure of La1/3NbO3 and Nd1/3NbO3 at room temperature and 4 K. This will identify local atomic positions and structural distortions which will explain how these two materials with the same crystal structure at RT can show different ferroelectric behaviours.
DOI: 10.5286/isis.e.rb2510184-1
title: Determination of Local structure – ferroelectric property relationships in (La,Nd)1/3NbO3

description: Improving capacitors for power electronic applications requires new dielectric materials that can withstand high electric fields. Relaxor ferroelectrics (RFE) and Quasi linear dielectrics (QLD) are able to achieve this, whilst maintaining a high permittivity. Typically, REF and QLD materials are very chemically complex so the structural effects that cause this behaviour are hard to determine. Our recent work on La1/3NbO3 and Nd1/3NbO3 has shown that at cryogenic temperatures, RFE and incipient ferroelectric behaviours (which have the same permittivity-temperature profiles as QLD) are observed. Both these materials are not chemically complex and have orthorhombic Cmmm crystal symmetry at RT. Neutron studies had previously been conducted at cryogenic temperatures for La1/3NbO3, however, a phase transition which typically coincides with a peak in permittivity was not observed. In similar materials that have observed RFE behaviour with no phase changes, local structural effects (octahedral tilting and cation displacements) have been determined to be the cause for a peak in permittivity. We request 2 days of beam-time on POLARIS to collect total neutron scattering data to investigate the local structure of La1/3NbO3 and Nd1/3NbO3 at room temperature and 4 K. This will identify local atomic positions and structural distortions which will explain how these two materials with the same crystal structure at RT can show different ferroelectric behaviours.
DOI: 10.3535/2yn-qq4-xwf
title: Potentilla supina L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2428000
title: ReMade: Lattice oxygen coupling in Ni-based perovskites for oxygen evolution reaction catalysis
DOI: 10.5286/isis.e.rb2510416
title: Probing the role of strain on the magnetic structure of altermagnetic CrSb layers

description: Altermagnetic materials, such as CrSb, which exhibit collinear-compensated magnetism and spin-split non-relativistic band structures, are of great interest for spintronics applications due to their ability to combine ferromagnetic and antiferromagnetic properties. In bulk CrSb, the magnetic structure has been well characterized, but little is known about the magnetic behavior of thin films, where epitaxial strain from the substrate can introduce significant distortions. This study aims to explore the impact of strain on the magnetic structure of CrSb by comparing neutron diffraction results from lattice-matched CrSb(0001) thin films and distorted CrSb(1-100) films grown on mismatched substrates. These films will be compared to bulk CrSb to investigate the origin of phenomena such as the anomalous Hall effect, which has been observed in strained CrSb films but not in the bulk material. By targeting key Bragg peaks that reveal the Néel vector orientation, we aim to shed light on the role of substrate-induced distortions in tuning the magnetic properties of CrSb, contributing to the broader understanding of strain effects in altermagnetic materials.
DOI: 10.5286/isis.e.rb2510416-1
title: Probing the role of strain on the magnetic structure of altermagnetic CrSb layers

description: Altermagnetic materials, such as CrSb, which exhibit collinear-compensated magnetism and spin-split non-relativistic band structures, are of great interest for spintronics applications due to their ability to combine ferromagnetic and antiferromagnetic properties. In bulk CrSb, the magnetic structure has been well characterized, but little is known about the magnetic behavior of thin films, where epitaxial strain from the substrate can introduce significant distortions. This study aims to explore the impact of strain on the magnetic structure of CrSb by comparing neutron diffraction results from lattice-matched CrSb(0001) thin films and distorted CrSb(1-100) films grown on mismatched substrates. These films will be compared to bulk CrSb to investigate the origin of phenomena such as the anomalous Hall effect, which has been observed in strained CrSb films but not in the bulk material. By targeting key Bragg peaks that reveal the Néel vector orientation, we aim to shed light on the role of substrate-induced distortions in tuning the magnetic properties of CrSb, contributing to the broader understanding of strain effects in altermagnetic materials.
DOI: 10.3535/b85-5fs-kwe
title: Boquila trifoliolata (DC.) Decne.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/pgh-y2j-tyt
title: Setaria viridis (L.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2500023-1
title: the structure of 5TiO2-9.5B2O3-28.5NaO2- 57P2O5

description: Titanium alloys and titanium dioxide, products of the titanium metallurgy industry, are widely used in fields like aviation, aerospace, medicine, and more. The 5TiO2-9.5B2O3-28.5Na2O-57P2O5 glass system features a complex structure, offering valuable insights into atomic arrangements and network formation. Key components like TiO2 contribute to high refractive index and photocatalytic properties, B2O3 aids network formation, Na2O reduces melting temperature, and P2O5 enhances structural integrity and flexibility. Neutron diffraction is an ideal technique for exploring the glass's molecular structure, particularly the role of titanium and phosphorus in the network. These measurements are crucial for advancing the understanding and potential applications of this unique glass system.
DOI: 10.5286/isis.e.rb2510463
title: Neutron diffraction study to reveal the novel cryoprotectant mechanism of para-hydroxy benzoic acid and its binding to HosA transcription factor by potential hydronium ions

description: We propose a neutron diffraction study to investigate the role of hydronium ions in the novel cryoprotectant properties of para-hydroxy benzoic acid (PHB), a sparingly water-soluble organic molecule, observed in X-ray crystallography of protein crystals. PHB exhibits remarkable cryoprotective effects in a proprietary water-based solution with negligible amounts of other solvents, suggesting a hydronium-driven mechanism forming water shell networks. Co-crystal X-ray structures of PHB with a pathogenic bacterial transcription factor HosA, supported by molecular dynamics, revealed a water molecule bound to PHB and carried between sites during simulation. After PHB binding to the exact site on HosA, the water molecule, likely a hydronium ion, interacts with four partners, including a repulsive interaction with a positively charged residue. Diffraction studies at I23 (DLS) detected no anomalous signal at the water site, ruling out a metal ion at this position. Simultaneous neutron diffraction of PHB crystals and HosA-PHB co-crystals can confirm the presence of hydronium ions and provide insight into the possible water shell network orchestrated by them. This discovery could enhance cryoprotection strategies in structural biology improving crystal stability for diffraction successes. Moreover, understanding the possible hydronium-based binding mechanism of PHB to HosA, a key protein in bacterial motility, may expedite drug discovery efforts.