cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2510491
title: Relationship between oxygen stoichiometry and energy of CEF levels in Pr2NiO4+𝛿

description: Since the discovery of high-temperature superconductivity in La2CuO4+, the impact of oxygen nonstoichiometry on the structure and physical properties of layered oxide compounds was under analysis. Among these, RE2NiO4+ (Re = Pr, La, Nd), with their K2NiF4-type structure have been studied for their structural similarity to the superconducting phase. We are presently conducting a detailed study of Pr2NiO4+δ (δ = 0.25) single crystals, through the analysis of inelastic neutron scattering measurements. CEF calculations point out a complete different energy scheme for the Pr3+ with 10 oxygen environment (excess oxygen) with one very low lying level (presently asked for at ILL @IN5) and one very high energetic level (~100 meV) for which we would need MARI. Our CEF calculations also revealed a strong link between the position of the first energy transition peak and the Pr-Oap atomic distances (and ultimately oxygen stoichiometry), since we observed an exponential correlation between the Pr-Oap distances and the crystal electric field (CEF) energy levels. However, the analysis is restricted so far to the first transition due to the lack of CEF data at higher energies. Accessing this range will help us shedding light on a more general ground on the effect of excess oxygen on the full CEF energy levels of these systems.
DOI: 10.34816/ifao.archives.233002
title: SAQQARA_nb_1994_06074

description: Référence : nb_1994_06074<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/dnm-53q-hqx
title: Juncus filiformis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/mt8-z7m-flf
title: Prunus mahaleb L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420308-1
title: Internal strain evolution of wire and powder additively manufactured 316L during in-situ tensile loading at high temperature

description: Mechanical behavior analyis in additively manufactured (AM) metallic materials has particular complexity in its interpretation in comparison with components obtained through traditional fabrication routes, which are related to their unusual fabrication conditions including new or non-equilibrium microstructural features and complex residual stress distributions in 3D. The in-situ monitoring of the evolution of internal strain and in particular phase-specific load partitioning paramount to determine the critical influence of the inherent anisotropic nature of AM materials in their evaluation and simulations of service life for structural applications3. To that end, in-situ neutron TOF experiments, where the different hlk families and/or different phases can be followed simultaneously within the bulk and during loading is proposed in this experiment for 316L material obtained through two AM routes: powder - laser bed fusion (L-PBF) and laser-wire directed energy deposition (DED). This work is part of the PhD thesis of Msc A. Mejia and part of the neutron strain method development for high temperature characterization which is aimed in a long term collaboration between SALSA, STRESS-SPEC and ENGIN-X scientists through the Neutron Quality Label ® working group.
DOI: 10.5286/isis.e.rb2510026
title: Temperature dependence of phonon spectrum in Ba2Ti2Fe2As4O

description: The spin driven high-Tc supeconductivity picture was recently challenged by a stoichiometric compound Ba2Ti2Fe2As4O, which usually has a non-magnetic ground state, but shows an possible charge-density-wave (CDW) transition around T*≈125 K. Although the two dimensional structure makes the Ba2Ti2Fe2As4O could be regared as the close kin to the bilayer cuprates, the CDW order and relatively low Tc make it is similar to those conventional titanium oxide superconductors. The absence of spin fluctuations in the polycrystalline sample of Ba2Ti2Fe2As4O measured by inelastic neutron scattering experiments doubts the magnetic origin of the superconductivity. Signature of polarons and weak temperature dependence of phonon modes were also observed in spectroscopic measurements. Although we have observed weak spin fluctuations up to 15 meV in the single crystals of Ba2Ti2Fe2As4O, it is hard to distinguish the magnetic and phonon excitations by previous TAS measurement mode due to the strong background from incoherent scattering, and the nearly Q-indendent and broad phonon-like excitations seem not like the optical branches but closely resemble with the localized polaronic state as observed in cuprates.To figure out the temperature dependence of phonon spectrum across the CDW transition in Ba2Ti2Fe2As4O, we thus propose to do further TOF experiments on MERLIN spectrometer. The coming results will give important clues for the understanding of superconducting mechnanism in Ba2Ti2Fe2As4O.
DOI: 10.5286/isis.e.rb2510026-1
title: Temperature dependence of phonon spectrum in Ba2Ti2Fe2As4O

description: The spin driven high-Tc supeconductivity picture was recently challenged by a stoichiometric compound Ba2Ti2Fe2As4O, which usually has a non-magnetic ground state, but shows an possible charge-density-wave (CDW) transition around T*≈125 K. Although the two dimensional structure makes the Ba2Ti2Fe2As4O could be regared as the close kin to the bilayer cuprates, the CDW order and relatively low Tc make it is similar to those conventional titanium oxide superconductors. The absence of spin fluctuations in the polycrystalline sample of Ba2Ti2Fe2As4O measured by inelastic neutron scattering experiments doubts the magnetic origin of the superconductivity. Signature of polarons and weak temperature dependence of phonon modes were also observed in spectroscopic measurements. Although we have observed weak spin fluctuations up to 15 meV in the single crystals of Ba2Ti2Fe2As4O, it is hard to distinguish the magnetic and phonon excitations by previous TAS measurement mode due to the strong background from incoherent scattering, and the nearly Q-indendent and broad phonon-like excitations seem not like the optical branches but closely resemble with the localized polaronic state as observed in cuprates.To figure out the temperature dependence of phonon spectrum across the CDW transition in Ba2Ti2Fe2As4O, we thus propose to do further TOF experiments on MERLIN spectrometer. The coming results will give important clues for the understanding of superconducting mechnanism in Ba2Ti2Fe2As4O.
DOI: 10.3535/5b2-933-sep
title: Phaeoptilum spinosum Radlk.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ja0-bl4-7lq
title: Eriophorum angustifolium Honck.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420308
title: Internal strain evolution of wire and powder additively manufactured 316L during in-situ tensile loading at high temperature

description: Mechanical behavior analyis in additively manufactured (AM) metallic materials has particular complexity in its interpretation in comparison with components obtained through traditional fabrication routes, which are related to their unusual fabrication conditions including new or non-equilibrium microstructural features and complex residual stress distributions in 3D. The in-situ monitoring of the evolution of internal strain and in particular phase-specific load partitioning paramount to determine the critical influence of the inherent anisotropic nature of AM materials in their evaluation and simulations of service life for structural applications3. To that end, in-situ neutron TOF experiments, where the different hlk families and/or different phases can be followed simultaneously within the bulk and during loading is proposed in this experiment for 316L material obtained through two AM routes: powder - laser bed fusion (L-PBF) and laser-wire directed energy deposition (DED). This work is part of the PhD thesis of Msc A. Mejia and part of the neutron strain method development for high temperature characterization which is aimed in a long term collaboration between SALSA, STRESS-SPEC and ENGIN-X scientists through the Neutron Quality Label ® working group.
DOI: 10.5286/isis.e.rb2420333
title: Decoding polar order-disorder phenomena in (Pb,Ba)ZrO3

description: The aim of this study is to understand how local polarizations evolve during the composition and temperature driven phase transitions in (Pb,Ba)ZrO3 which exhibits a sequential transformation from antiferroeletric to ferroelectric, ferroeletric to relaxor ferroeletric and finally to a Dibye medium as a function of composition. For this study, we propose to use the GEM diffractometer in order to collect total scattering data at ambient and nonambient temperatures.
DOI: 10.5286/isis.e.rb2420333-1
title: Decoding polar order-disorder phenomena in (Pb,Ba)ZrO3

description: The aim of this study is to understand how local polarizations evolve during the composition and temperature driven phase transitions in (Pb,Ba)ZrO3 which exhibits a sequential transformation from antiferroeletric to ferroelectric, ferroeletric to relaxor ferroeletric and finally to a Dibye medium as a function of composition. For this study, we propose to use the GEM diffractometer in order to collect total scattering data at ambient and nonambient temperatures.
DOI: 10.3535/c9a-vyj-4yl
title: Juncus effusus subsp. effusus

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/h2q-2gz-tvs
title: Luzula alpina Hoppe

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410197-2
title: Structural Evolution of NaNiO2 Via Operando Neutron Diffraction

description: We propose to measure operando NPD of NaNiO2 vs. Na metal using POLARIS, to study the dynamic crystallographic structure of NaNiO2 as it charges from OCV to 4.5 V, and discharges to 1.25 V. Operando experiments will capture evolution of the superstructure lattice in Na1-xNiO2 through tracking of emergence, shifting, and disappearance of peaks in the low Q-range (~1.4 – 2.2 Å-1). Bragg diffraction will be analysed via Rietveld co-refinement with SRXD data from I11, using TOPAS 7. Data will be used along with complementary ex-situ NPD, ssNMR, XPDF, SQUID, and DFT to elucidate the novel phases bulk and local structures, and their formation mechanisms. Following discussions with instrument scientists, the POLARIS instrument is believed to ideally suit the requirements of operando experiments due to its high neutron flux, minimising collection time, maximising measurements taken per cycle, and improving signal-to-noise (aiding in capturing low-intensity superstructure peaks). NPD provides excellent contrast between the three elements present (bNa= 3.63 fm, bNi = 10.3 fm, bO = 5.80 fm), with enhanced sensitivity towards lighter elements Na and O), providing high confidence in fitting the O atomic positions via Rietveld refinement. Additionally, POLARIS’ wide Q-range may facilitate collection of total scattering data for NPDF analysis, offering insight into the dynamic evolution of the JT-distortion in NaNiO2, through operando tracking of Ni-O bond lengths for the first time.
DOI: 10.5286/isis.e.rb2510046-1
title: Switching of the Crystal Structure of the Oxide Ion Conductor Ba3Ti0.9Mo1.1O8.1 with Applied Pressure

description: Interest in oxide-ion and proton-conducting materials has grown recently due to their application as electrolytes in solid-oxide fuel cells (SOFCs). In order to make SOFCs more economical is highly desirable to move towards lower working temperatures. To reach this goal new electrolyte materials are needed with high oxide ion conductivity at 400 – 600 °C. We have now synthesised a novel phase Ba3Ti0.9Mo1.1O8.1 that exhibits the highest oxide ion conductivity of all hexagonal perovskites at 600 C and has yet to be chemically doped so there is scope for further improvement.

It is hypothesised that increasing the number of interstitial oxide sites will further enhance the oxide ion conductivity. We propose to perform a neutron diffraction on PEARL to see if it’s possible to increase the number of interstitial oxide sites as a function of pressure as has previously been observed in related materials.
DOI: 10.3535/ynl-dcw-bnl
title: Anthoxanthum nipponicum Honda

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510046
title: Switching of the Crystal Structure of the Oxide Ion Conductor Ba3Ti0.9Mo1.1O8.1 with Applied Pressure

description: Interest in oxide-ion and proton-conducting materials has grown recently due to their application as electrolytes in solid-oxide fuel cells (SOFCs). In order to make SOFCs more economical is highly desirable to move towards lower working temperatures. To reach this goal new electrolyte materials are needed with high oxide ion conductivity at 400 – 600 °C. We have now synthesised a novel phase Ba3Ti0.9Mo1.1O8.1 that exhibits the highest oxide ion conductivity of all hexagonal perovskites at 600 C and has yet to be chemically doped so there is scope for further improvement.

It is hypothesised that increasing the number of interstitial oxide sites will further enhance the oxide ion conductivity. We propose to perform a neutron diffraction on PEARL to see if it’s possible to increase the number of interstitial oxide sites as a function of pressure as has previously been observed in related materials.
DOI: 10.5286/isis.e.rb2510271
title: In-situ neutron scattering study of directed deoxygenation of lignin at TOSCA

description: Lignin can replace fossil energy through hydrodeoxygenation reactions to produce light aromatic hydrocarbons. However, the reaction still needs fixing, such as unclear catalyst active sites and unclear binding mode of critical intermediates and catalysts. To solve the above issues, we intend to use guaiacol and phenol as model compounds and composite metal oxides as catalysts through In-situ inelastic neutron scattering technology to obtain neutron spectroscopy data of key active sites and intermediates, reveal the binding and dissociation mechanism of C-O bonds and active sites of the catalyst, then clarify the microscopic mechanism of directed deoxygenation of lignin.
DOI: 10.5286/isis.e.rb2510271-1
title: In-situ neutron scattering study of directed deoxygenation of lignin at TOSCA

description: Lignin can replace fossil energy through hydrodeoxygenation reactions to produce light aromatic hydrocarbons. However, the reaction still needs fixing, such as unclear catalyst active sites and unclear binding mode of critical intermediates and catalysts. To solve the above issues, we intend to use guaiacol and phenol as model compounds and composite metal oxides as catalysts through In-situ inelastic neutron scattering technology to obtain neutron spectroscopy data of key active sites and intermediates, reveal the binding and dissociation mechanism of C-O bonds and active sites of the catalyst, then clarify the microscopic mechanism of directed deoxygenation of lignin.
DOI: 10.3535/5yn-adc-bz0
title: Phaeoptilum spinosum Radlk.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/dqx-b5k-9y9
title: Potentilla aurea subsp. aurea

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510275-1
title: Investigation of Proton Diffusion Mechanisms in a Porous Phosphate Material Using Muon Spin Relaxation

description: Porous materials with high proton conductivity are garnering significant attention due to their potential applications in proton-exchange membrane fuel cells (PEMFCs), a crucial technology in achieving global 'Net Zero' targets. We recently studied a porous phosphate material (Ni-Phos) that demonstrated a proton conductivity of 1.15 × 10⁻³ S·cm⁻¹ at 90 °C and 99% relative humidity (RH). Remarkably, exposure of this material to toxic air pollutants such as NO₂ and SO₂ significantly enhanced its conductivity. After gas capture, the conductivity increased by 29-fold for NO₂@Ni-Phos (3.36 × 10⁻² S·cm⁻¹) and 12-fold for SO₂@Ni-Phos (1.40 × 10⁻² S·cm⁻¹) under the same conditions. Importantly, the conductivity of NO₂@Ni-Phos approaches that of commercially used Nafion (7.8 × 10⁻² S·cm⁻¹). We seek 3 days of beamtime on the EMU instrument to probe the proton transport mechanism within these materials using muon spectroscopy. This study will provide valuable insights into the development of robust proton-conducting materials and demonstrate the application of muon spectroscopy as a powerful tool for characterizing proton diffusion in these systems.
DOI: 10.5286/isis.e.rb2510554
title: Quasi Elastic Neutron Scattering Studies of Solid State Electrolytes for Li-ion Batteries

description: All solid state batteries (which use a solid state ionic conductor electrolyte) are receiving considerable interest in the research community as they offer improved safety and energy densities. Solid state ionic conductors must contain electronically insulating cations in order to prevent short circuits caused by electronic conductivity. In this proposal, we focus on quasi elastic neutron scattering studies of two different families of Li-ion solid state electrolytes and will probe long-range Li-migration pathways in these materials. This will be linked to their crystal structures and results from impedance spectroscopy.
DOI: 10.5286/isis.e.rb2510554-1
title: Quasi Elastic Neutron Scattering Studies of Solid State Electrolytes for Li-ion Batteries

description: All solid state batteries (which use a solid state ionic conductor electrolyte) are receiving considerable interest in the research community as they offer improved safety and energy densities. Solid state ionic conductors must contain electronically insulating cations in order to prevent short circuits caused by electronic conductivity. In this proposal, we focus on quasi elastic neutron scattering studies of two different families of Li-ion solid state electrolytes and will probe long-range Li-migration pathways in these materials. This will be linked to their crystal structures and results from impedance spectroscopy.
DOI: 10.3535/9a6-bne-v6w
title: Erigeron muralis Lapeyr.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xyx-w23-f2w
title: Quercus pubescens Willd.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510275
title: Investigation of Proton Diffusion Mechanisms in a Porous Phosphate Material Using Muon Spin Relaxation

description: Porous materials with high proton conductivity are garnering significant attention due to their potential applications in proton-exchange membrane fuel cells (PEMFCs), a crucial technology in achieving global 'Net Zero' targets. We recently studied a porous phosphate material (Ni-Phos) that demonstrated a proton conductivity of 1.15 × 10⁻³ S·cm⁻¹ at 90 °C and 99% relative humidity (RH). Remarkably, exposure of this material to toxic air pollutants such as NO₂ and SO₂ significantly enhanced its conductivity. After gas capture, the conductivity increased by 29-fold for NO₂@Ni-Phos (3.36 × 10⁻² S·cm⁻¹) and 12-fold for SO₂@Ni-Phos (1.40 × 10⁻² S·cm⁻¹) under the same conditions. Importantly, the conductivity of NO₂@Ni-Phos approaches that of commercially used Nafion (7.8 × 10⁻² S·cm⁻¹). We seek 3 days of beamtime on the EMU instrument to probe the proton transport mechanism within these materials using muon spectroscopy. This study will provide valuable insights into the development of robust proton-conducting materials and demonstrate the application of muon spectroscopy as a powerful tool for characterizing proton diffusion in these systems.
DOI: 10.5286/isis.e.rb2510331-1
title: Neutron scattering study on altermagnetic Mn5Si3 thin films

description: This proposal aims to investigate the magnetic structure of epitaxial Mn5Si3 thin films using neutron diffraction. Building on previous experiments, we have prepared higher quality thin films that maintain the hexagonal crystal structure under epitaxial strain, allowing for the stabilization of a presumed collinear magnetic phase up to 240 K. The proposed study will provide crucial insights into the checkerboard magnetic order expected in these films, which is suggested as an explanation for various observed anomalous transport effects in this material. Given the limitations of alternative techniques, neutron diffraction is the only viable method to directly confirm this magnetic structure. The results are anticipated to advance the understanding of altermagnetic materials and have potential applications in spintronics, including the realization of giant magnetoresistance in a material with compensated magnetic order. A total of five days of beamtime is requested to measure multiple reflections at different temperatures and orientations.
DOI: 10.5286/isis.e.rb2510348-2
title: Looking back at the structure of pure liquid methanol

description: We request 4 days on SANDALS to acquire the complementary isotopically varied contrast for pure liquid methanol. In conjunction with synchrotron measurements on IN15-1 XPDF, we will test 3 established force fields, in addition to 3 more recent ones, to investigate more closely the subtle 
differences in structure arising from the use of different force fields. By looking at three temperature points, we aim to reinvestigate the propensity of methanol of forming chains and cyclic motifs, as well as the presence in solution of the overlooked CH···O weak hydrogen bonding via the methyl 
groups. We will then use the EPSR refined configuration as a starting point for molecular dynamics simulations, which will be critical to provide experimentally validated starting configurations for MD, to establish the life-time of the hydrogen bonds, and the presence of cooperative/anticooperative behaviour.
DOI: 10.3535/2ns-hdn-8b9
title: Cicerbita alpina (L.) Wallr.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/acn-mbl-kyc
title: Phyteuma spicatum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510331
title: Neutron scattering study on altermagnetic Mn5Si3 thin films

description: This proposal aims to investigate the magnetic structure of epitaxial Mn5Si3 thin films using neutron diffraction. Building on previous experiments, we have prepared higher quality thin films that maintain the hexagonal crystal structure under epitaxial strain, allowing for the stabilization of a presumed collinear magnetic phase up to 240 K. The proposed study will provide crucial insights into the checkerboard magnetic order expected in these films, which is suggested as an explanation for various observed anomalous transport effects in this material. Given the limitations of alternative techniques, neutron diffraction is the only viable method to directly confirm this magnetic structure. The results are anticipated to advance the understanding of altermagnetic materials and have potential applications in spintronics, including the realization of giant magnetoresistance in a material with compensated magnetic order. A total of five days of beamtime is requested to measure multiple reflections at different temperatures and orientations.