cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2510044-1
title: Evaluation of atomic structure of alkaline-earth aluminosilicates and aluminoborosilicate oxide glasses through Neutron and X-ray diffraction at ISIS

description: Understanding the relationship between plasticity and fracture in silicate glasses is essential to develop mechanically more robust, long-lasting glass products. In several practical use conditions, failure can be induced in glass due to significant tensile stresses. The material’s atomic structure primarily controls the magnitude and direction of these stresses. Recent work showed that substituting silica with boron oxide in alkaline-earth aluminoborosilicate (ABS) glasses resulted in a drastic change of plastic behavior under mechanical indentation from non-homogeneous plastic flow (shear banding) to homogeneous plasticity, also increasing the damage tolerance of the material. According to our recent study, it was also found that the type of alkaline earth ion changes the plastic behavior as well as the damage tolerance. This project aims to investigate the atomic structure of a group of ABS glasses containing different amounts of boron and alkaline-earth cations (Mg, Ca, Sr, Ba) using high-energy Neutron and X-ray diffraction experiments at ISIS. The results of this experimental proposal will provide clues about the structural role of boron and alkaline-earth cations on the plastic deformation behavior of these glasses. Moreover, the generated data will be essential for developing and validating interatomic potentials used in molecular dynamics simulations.
DOI: 10.15468/dl.5ds6tn
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cephalallus oberthueri Sharp, 1905",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 4 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109293-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/38j-xvv-qvs
title: Thlaspi arvense L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/tpq-2g8-0py
title: Ficaria verna subsp. verna

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420145-1
title: Inelastic neutron spectroscopy to probe selective H2/D2 separation in zeolites

description: Separating hydrogen and deuterium is among the most formidable separation challenges. There is a growing demand for deuterium, due to its use for isotope specific experiments and labelling studies in chemistry, biology, materials science, nuclear fusion, and medicine. Current technologies to separate hydrogen and deuterium, either require incredibly low temperatures (~30 K), have low separation efficiencies, or low uptake capacities. An alternative method is using porous materials as Quantum Sieves, as D2 adsorbs more readily within micropores than H2, at cooler conditions. Chabazite zeolites (CHA) are highly effective at separating the two species due to the small pore windows (8 membered rings, 3.8 Å) within the crystalline framework. Purely siliceous CHA has poor D2/H2 selectivity. But replacing framework Si species with Al, leads to cations binding to the zeolite. These cations improve D2 selectivity in zeolites, specifically in CHA species where a “trapdoor mechanism” is suggested, due to extra-framework cations sitting in the centre of the CHA 8 membered ring. Our recent work on CHA with a potassium counterions (K-CHA) suggests that at ~159 K, K+ moves to one side, allowing a D2 molecule into the framework, acting as a “trapdoor”, which does not occur with H2. Below this temperature we see no uptake as the ions block access to the pores. Therefore, this provides a unique opportunity to exploit this system for D2/H2 uptake at comparatively high temperatures.
DOI: 10.5286/isis.e.rb2510480
title: Oil-in-water Emulsions Stabilised by Deep Eutectic Solvent-Extracted Lignins

description: Deep eutectic solvents (DES) represent an emerging class of mixtures, distinguished by strong intermolecular interaction among the components leading to notable reduction in melting point of the resulting solvent. These ‘designer’ solvents, whose properties can be tailored based on the hydrogen bond donor and acceptor species, have emerged as a promising alternative to organic solvents for lignocellulosic biomass fractionation. Notably, DES can also tailor the structure and thereby the properties of lignin during extraction based on the chosen components. Emulsions, stabilized by the lignin extracted via DES, present a potential sustainable solution for emulsion systems. In this study, we aim to investigate the structure of non-polar cyclohexane:water and polar hexanol:water emulsions stabilized by four different types of DES-extracted lignin-rich particles by utilizing the contrast match conditions of small-angle neutron scattering (SANS). We will determine whether the extracted lignins form particles at the oil-water interface, acting as Pickering stabilisers or act more as polymeric stabilisers. This research will provide valuable insights into the structural organization of lignin at the oil-water interface, enhancing our understanding on how lignin species contribute to (Pickering) emulsion stability.
DOI: 10.5286/isis.e.rb2510480-1
title: Oil-in-water Emulsions Stabilised by Deep Eutectic Solvent-Extracted Lignins

description: Deep eutectic solvents (DES) represent an emerging class of mixtures, distinguished by strong intermolecular interaction among the components leading to notable reduction in melting point of the resulting solvent. These ‘designer’ solvents, whose properties can be tailored based on the hydrogen bond donor and acceptor species, have emerged as a promising alternative to organic solvents for lignocellulosic biomass fractionation. Notably, DES can also tailor the structure and thereby the properties of lignin during extraction based on the chosen components. Emulsions, stabilized by the lignin extracted via DES, present a potential sustainable solution for emulsion systems. In this study, we aim to investigate the structure of non-polar cyclohexane:water and polar hexanol:water emulsions stabilized by four different types of DES-extracted lignin-rich particles by utilizing the contrast match conditions of small-angle neutron scattering (SANS). We will determine whether the extracted lignins form particles at the oil-water interface, acting as Pickering stabilisers or act more as polymeric stabilisers. This research will provide valuable insights into the structural organization of lignin at the oil-water interface, enhancing our understanding on how lignin species contribute to (Pickering) emulsion stability.
DOI: 10.34816/ifao.archives.232958
title: SAQQARA_nb_1994_06024

description: Référence : nb_1994_06024<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/2d4-d0k-zbc
title: Chiliotrichum Cass.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xrz-jvm-hns
title: Phaeoptilum spinosum Radlk.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420145
title: Inelastic neutron spectroscopy to probe selective H2/D2 separation in zeolites

description: Separating hydrogen and deuterium is among the most formidable separation challenges. There is a growing demand for deuterium, due to its use for isotope specific experiments and labelling studies in chemistry, biology, materials science, nuclear fusion, and medicine. Current technologies to separate hydrogen and deuterium, either require incredibly low temperatures (~30 K), have low separation efficiencies, or low uptake capacities. An alternative method is using porous materials as Quantum Sieves, as D2 adsorbs more readily within micropores than H2, at cooler conditions. Chabazite zeolites (CHA) are highly effective at separating the two species due to the small pore windows (8 membered rings, 3.8 Å) within the crystalline framework. Purely siliceous CHA has poor D2/H2 selectivity. But replacing framework Si species with Al, leads to cations binding to the zeolite. These cations improve D2 selectivity in zeolites, specifically in CHA species where a “trapdoor mechanism” is suggested, due to extra-framework cations sitting in the centre of the CHA 8 membered ring. Our recent work on CHA with a potassium counterions (K-CHA) suggests that at ~159 K, K+ moves to one side, allowing a D2 molecule into the framework, acting as a “trapdoor”, which does not occur with H2. Below this temperature we see no uptake as the ions block access to the pores. Therefore, this provides a unique opportunity to exploit this system for D2/H2 uptake at comparatively high temperatures.
DOI: 10.5286/isis.e.rb2420439-1
title: Deposition of Biosourced Soil-Release Polymers at Model Cotton Interfaces

description: Cotton surfaces important to consider in laundry applications since cotton and polycotton garments comprise the highest proportion of fabrics. We have recently managed to make model cotton surfaces suitable for NR experiments and here wish to use NR to study the effectiveness of some novel environmentally friendly soil release polymers. Our results will enable testing and validation for predictive models to improve laundry formulations and minimise the considerable global impact of fabric care and fabric production. Critically, Neutron reflection helps us to bridge the gap in scale between molecular level simulations and macroscopic tests on fabric samples, using well-defined models that can capture the essential features of the real industrial challenge.
DOI: 10.3535/tqa-e2m-p8c
title: Phaeoptilum spinosum Radlk.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420439
title: Deposition of Biosourced Soil-Release Polymers at Model Cotton Interfaces

description: Cotton surfaces important to consider in laundry applications since cotton and polycotton garments comprise the highest proportion of fabrics. We have recently managed to make model cotton surfaces suitable for NR experiments and here wish to use NR to study the effectiveness of some novel environmentally friendly soil release polymers. Our results will enable testing and validation for predictive models to improve laundry formulations and minimise the considerable global impact of fabric care and fabric production. Critically, Neutron reflection helps us to bridge the gap in scale between molecular level simulations and macroscopic tests on fabric samples, using well-defined models that can capture the essential features of the real industrial challenge.
DOI: 10.5286/isis.e.rb2510050
title: Local Order in Highly-Disordered Ba3NbMoO8.5 Oxide Ion Conductor: Single Crystal Neutron Diffuse Scattering Study

description: Oxide ion conductors have been a focus of intense research due to their application as electrolytes in solid oxide fuel cells (SOFCs). The currently used materials, such as yttria-stabilized zirconia, require temperatures of 800-1000 °C in order to operate efficiently, precluding the widespread deployment of these devices. A wide variety of oxide material classes are being explored in an effort to achieve SOFC electrolytes with competitive ionic conductivity in so-called intermediate temperature range (450-600 °C). In this proposal we request 5 days of SXD beamtime to study structured diffuse scattering in Ba3NbMoO8.5 oxide ion conductor. The aim of the study is to use the shape and positions of the diffuse scattering maxima to build an atomistic model of the disordered structure which will reproduce the experimental scattering, and thus provide a plausible realisation of the true local structure of the material.
DOI: 10.5286/isis.e.rb2510050-1
title: Local Order in Highly-Disordered Ba3NbMoO8.5 Oxide Ion Conductor: Single Crystal Neutron Diffuse Scattering Study

description: Oxide ion conductors have been a focus of intense research due to their application as electrolytes in solid oxide fuel cells (SOFCs). The currently used materials, such as yttria-stabilized zirconia, require temperatures of 800-1000 °C in order to operate efficiently, precluding the widespread deployment of these devices. A wide variety of oxide material classes are being explored in an effort to achieve SOFC electrolytes with competitive ionic conductivity in so-called intermediate temperature range (450-600 °C). In this proposal we request 5 days of SXD beamtime to study structured diffuse scattering in Ba3NbMoO8.5 oxide ion conductor. The aim of the study is to use the shape and positions of the diffuse scattering maxima to build an atomistic model of the disordered structure which will reproduce the experimental scattering, and thus provide a plausible realisation of the true local structure of the material.
DOI: 10.34816/ifao.archives.232959
title: SAQQARA_nb_1994_06025

description: Référence : nb_1994_06025<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/0tb-w7b-b0z
title: Tilia platyphyllos Scop.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/cql-af0-kz4
title: Phaeoptilum spinosum Radlk.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510182
title: muSR study of the percolation process in a new dilute magnetic semiconductor series

description: Doping electric charges into semiconductors drastically changes their electronic properties. Whether dopinga small number of magnetic spins 
results in ferromagnetism in nonmagnetic semiconductors has been a vigorously debated topic for more than 30 years, largely due to the lack of evidence for an intrinsicferromagnetic transition in so-called dilute magnetic semiconductors. However, we have just discovered an intrinsic ferromagnetic transition with unambiguous evidence in the semiconductor (Sr1-xRx)SiO3 doped with rare-earth magnetic ions R, which entered the Sr site in the lattice. Surprisingly, partial ferromagnetic behavior can be induced at an ultralow doping concentration, with the transition temperature obeying an exponential function with the doping concentration. At doping higher than 0.1%, the transition temperature is almost independent of the doping concentration and shows evidence of percolation into a long-range orde. In the sample doped with 5%Dy, long-range ferromagnetic order, which was never witnessed in any previous dilute magnetic semiconductors, was clearly observed in muon spin spectroscopy. We have also obtained other evidence suggesting a magnetic polaron picture for the unexpected magnetism. It is of ultimate interest to reveal the percolation process in this unexpected dilute magnet. We thus propose to investigate the percolation process using the muon beam line at ARGUS.
DOI: 10.5286/isis.e.rb2510182-1
title: muSR study of the percolation process in a new dilute magnetic semiconductor series

description: Doping electric charges into semiconductors drastically changes their electronic properties. Whether dopinga small number of magnetic spins 
results in ferromagnetism in nonmagnetic semiconductors has been a vigorously debated topic for more than 30 years, largely due to the lack of evidence for an intrinsicferromagnetic transition in so-called dilute magnetic semiconductors. However, we have just discovered an intrinsic ferromagnetic transition with unambiguous evidence in the semiconductor (Sr1-xRx)SiO3 doped with rare-earth magnetic ions R, which entered the Sr site in the lattice. Surprisingly, partial ferromagnetic behavior can be induced at an ultralow doping concentration, with the transition temperature obeying an exponential function with the doping concentration. At doping higher than 0.1%, the transition temperature is almost independent of the doping concentration and shows evidence of percolation into a long-range orde. In the sample doped with 5%Dy, long-range ferromagnetic order, which was never witnessed in any previous dilute magnetic semiconductors, was clearly observed in muon spin spectroscopy. We have also obtained other evidence suggesting a magnetic polaron picture for the unexpected magnetism. It is of ultimate interest to reveal the percolation process in this unexpected dilute magnet. We thus propose to investigate the percolation process using the muon beam line at ARGUS.
DOI: 10.5286/isis.e.rb2510602-1
title: Determination of diffraction elastic constants and residual stress in DED-Arc wall.

description: Arc Direct Energy Deposition (DED-Arc), also known as Wire Arc Additive Manufacturing (WAAM), is a form of additive manufacturing where fusible wire is melted by an electric arc and deposited along the desired path, offering a high deposition rate and the ability to create large near-net-shape metal components. This process involves differential heating and cooling, leading to significant residual stresses and distortions. The development of accurate and efficient residual stress modelling techniques is crucial to predicting the structural integrity and lifetime performance of DED-Arc components without relying solely on physical measurements, which have limited availability and are often expensive. Experimental benchmarks are used to acquire empirical data for validation of residual stress models, with neutron diffraction being the preferred method for measuring residual stress. Previous studies have also shown that the deposited material has reduced macroscopic stiffness, making the determination of diffraction elastic constants (DEC) essential for linking lattice strain to engineering stress. The proposed neutron diffraction experiment aims to determine the DEC for the SS316L material used in the DED-Arc wall and measure the residual stress distribution in the wall using neutron diffraction at the ISIS ENGIN-X beamline. The results will be used in the development of a benchmark for DED-Arc residual stress modelling and validation of new computational modelling techniques.
DOI: 10.34816/ifao.archives.232960
title: SAQQARA_nb_1994_06026

description: Référence : nb_1994_06026<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/c3p-z31-vwf
title: Lomatia ferruginea (Cav.) R. Br.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/yf4-fwf-9g7
title: Malva rosea

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2490282
title: BaTiO3-xHx at RT
DOI: 10.5286/isis.e.rb2490282-1
title: BaTiO3-xHx at RT
DOI: 10.5286/isis.e.rb2510602
title: Determination of diffraction elastic constants and residual stress in DED-Arc wall.

description: Arc Direct Energy Deposition (DED-Arc), also known as Wire Arc Additive Manufacturing (WAAM), is a form of additive manufacturing where fusible wire is melted by an electric arc and deposited along the desired path, offering a high deposition rate and the ability to create large near-net-shape metal components. This process involves differential heating and cooling, leading to significant residual stresses and distortions. The development of accurate and efficient residual stress modelling techniques is crucial to predicting the structural integrity and lifetime performance of DED-Arc components without relying solely on physical measurements, which have limited availability and are often expensive. Experimental benchmarks are used to acquire empirical data for validation of residual stress models, with neutron diffraction being the preferred method for measuring residual stress. Previous studies have also shown that the deposited material has reduced macroscopic stiffness, making the determination of diffraction elastic constants (DEC) essential for linking lattice strain to engineering stress. The proposed neutron diffraction experiment aims to determine the DEC for the SS316L material used in the DED-Arc wall and measure the residual stress distribution in the wall using neutron diffraction at the ISIS ENGIN-X beamline. The results will be used in the development of a benchmark for DED-Arc residual stress modelling and validation of new computational modelling techniques.
DOI: 10.21233/n30v3s
title: Makar Inlet pollen surface sample dataset

description: Raw data for the Makar Inlet pollen surface sample dataset submitted to the Neotoma Paleoecology Database. Data is available through the landing page in JSON format. The landing page referenced by the DOI also contains links to publications and a map-based viewer for the dataset. The Neotoma Paleoecology Database maintains a homepage at https://www.neotomadb.org.
DOI: 10.3535/wvw-sfm-pt9
title: Geranium robertianum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2190121
title: Magnetic excitations of low dimensional Nickel-based double spin-chain compound PbMn2Ni6Te3O18
DOI: 10.5286/isis.e.rb2190121-1
title: Magnetic excitations of low dimensional Nickel-based double spin-chain compound PbMn2Ni6Te3O18
DOI: 10.5286/isis.e.rb2310655-4
title: Real Time in-situ Mineral Carbonation for CO2 Utilisation and Permanent Sequestering - QENS tracking

description: We propose real-time in situ tracking of CO2-mineralisation reactions for long-term sequestering of CO2(gas) in carbonates. Both Na and Mg-carbonates are currently under investigation a the atomistic/nanoscopic, trhough meso- and micro-scopic to bulk scales. The output carbonates stabilise CO2 as solid-minerals [i.e. Na/Mg-CO3]; added-value products in the infrastructure, fertiliser, pulp&paper and other industries. Our work at the bulk scale involves the production of multi-kg scales of carbonates under industrial conditions and relevant raw-material (im)purities, with subsequent use as fillers/additives to concretes of standard sizes and subsequent compliance testing (ISO1920-4, size:15x15x15cm, compressive-strength). We seek to further resolve the fundamental phenomena and processes underlying the reaction kinetics and responsible for product identities and purities. In this case QENS measurements on OSIRIS/IRIS will provide valuable information on the manifold rotational (and other!) dynamics of these systems and processes.
DOI: 10.34816/ifao.archives.232961
title: SAQQARA_nb_1994_06027

description: Référence : nb_1994_06027<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/29q-4lp-qzd
title: Geranium pratense L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/3sc-7ym-83w
title: Ranunculus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.