cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2590152-1
title: Feasibility analysis of neutron diffraction in NiCrBSi hardfacing layer

description: Using the hot isostatic press diffusion bonding method, a 5 mm thick NiCrBSi hardfacing layer (Ni balance, 17.32% Cr, 3.45% B, 4.51% Si, 0.70% C, 4.50% Fe, all in wt.%) was successfully deposited on stainless steel. A solid-liquid coexistence heat treatment (1000 ℃, holding 30 min, air cooling) was designed to solve micro-hardness variations and presence of pores and primary particle boundaries (PPBs). Comparing with microstructures of the as-HIP diffusion bonded and heat-treated hardfacing layers, significant homogeneity of microstructures, disappearance of pores and PPBs were observed. Meanwhile, complex phase transformation occurred, with fine-grained Ni, Ni3Si, Ni3B, CrB and Cr7C3 in the as-HIP diffusion bonded hardfacing layer and large-grained Ni, Ni3Si, Ni3B, CrB, Cr7C3 and other phases in the heat treated hardfacing layer. The proposed in-situ high-temperature neutron experiment is to develop the scientific basis and fundamental understanding of phase transformation by means of solid-liquid co-existence heat treatment. Prior to this, it is necessary to conduct feasibility analysis experiment as our sample contains boron. The feasibility analysis experiment will use samples with different thickness (2 mm, 3 mm, 4 mm, 5 mm) to obtain neutron diffraction spectrums at room temperature, and then determine the most suitable sample thickness for in-situ high-temperature neutron experiment.
DOI: 10.34816/ifao.archives.232973
title: SAQQARA_nb_1994_06041

description: Référence : nb_1994_06041<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/5a2-gcg-2m1
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2455030
title: Small Angle Neutron Scattering investigation of ageing in CuCrZr alloy for fusion reactor technology
DOI: 10.5286/isis.e.rb2455030-1
title: Small Angle Neutron Scattering investigation of ageing in CuCrZr alloy for fusion reactor technology
DOI: 10.5286/isis.e.rb2510697-1
title: In-Situ Study of Turbostratic Disorder in High-Purity Ti3AlC2 and Ti2AlC by PDF analysis

description: This proposal seeks to investigate the turbostratic disorder in high-purity Ti3AlC2 and Ti2AlC MAX-phase powders using Pair Distribution Function (PDF) analysis. Turbostratic disorder is the rotational misalignment between crystallographic layers, and produces characteristic asymmetric broadening of diffraction peaks. This can complicate conventional diffraction techniques such as Rietveld refinement. MAX-phases exhibit significant turbostratic disorder, impacting their mechanical properties and suitability for nuclear applications. This study builds upon previous neutron diffraction experiments at Engin-X and Electron Backscatter diffraction (EBSD), which confirmed the presence of turbostratic disorder features in the diffraction data. However, limitations of the Rietveld refinement method suggest that PDF analysis may be superior in isolating and characterising the turbostratic disorder. The proposed beamtime calls for in situ neutron diffraction at a range of temperatures (25-1000°C) to isolate and analyse features identifying turbostratic broadening. This will provide crucial experimental data against which models of diffraction and mechanical behaviour may be tested. These results could therefore enhance data fitting techniques for a range of turbostratically-disordered materials.
DOI: 10.3535/2zq-n6a-hgb
title: Reynoutria japonica Houtt.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ksa-hly-8l3
title: Juncus tenuis Willd.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510195
title: Crystal and Magnetic Structures of New Tungsten Nitride Perovskite-related Materials

description: Nitride perovskites and related materials such as Ruddlesden-Popper (RP) layered nitrides are a recently discovered family of materials with exciting properties. Further exploration of W-based nitrides has led to two new materials that we propose to study here; the perovskite NdWN3 and the RP nitride Ce2WN4. Ce2WN4 crystallizes with a slight orthorhombic distortion of the tetragonal RP aristotype similar to the related material Ce2TaN4, where structural distortions originated from Ce3+/Ce4+ mixed valence. NdWN3 has an orthorhombic perovskite superstructure with octahedral tilt ordering (for the first time in this family). Rather surprisingly, the effective paramagnetic moment of Ce2WN4 indicates the presence of only one Ce3+/f.u., which indicates a mixed valent compound Ce3+Ce4+W5+N4, similar to Ce3+Ce4+Ta5+N4. At low temperatures, FC/ZFC measurements on Ce2WN4 indicate a Curie transition at TC ≈ 9 K with a saturated moment of ~1 μB/f.u. This could be consistent with ferrimagnetic order of up-Ce3+ and down-W5+ moments. Susceptibility measurements of NdWN3 (Fig. 2d) show paramagnetic behaviour of Nd3+ without magnetic ordering down to 2 K. We request 2 days of beamtime to study Ce2WN4 and NdWN3 on the WISH beamline at ISIS. Neutron diffraction is essential for crystal and magnetic structure determinations as well as confirming that such nitride perovskites are stoichiometric, oxygen-free, materials.
DOI: 10.5286/isis.e.rb2510195-1
title: Crystal and Magnetic Structures of New Tungsten Nitride Perovskite-related Materials

description: Nitride perovskites and related materials such as Ruddlesden-Popper (RP) layered nitrides are a recently discovered family of materials with exciting properties. Further exploration of W-based nitrides has led to two new materials that we propose to study here; the perovskite NdWN3 and the RP nitride Ce2WN4. Ce2WN4 crystallizes with a slight orthorhombic distortion of the tetragonal RP aristotype similar to the related material Ce2TaN4, where structural distortions originated from Ce3+/Ce4+ mixed valence. NdWN3 has an orthorhombic perovskite superstructure with octahedral tilt ordering (for the first time in this family). Rather surprisingly, the effective paramagnetic moment of Ce2WN4 indicates the presence of only one Ce3+/f.u., which indicates a mixed valent compound Ce3+Ce4+W5+N4, similar to Ce3+Ce4+Ta5+N4. At low temperatures, FC/ZFC measurements on Ce2WN4 indicate a Curie transition at TC ≈ 9 K with a saturated moment of ~1 μB/f.u. This could be consistent with ferrimagnetic order of up-Ce3+ and down-W5+ moments. Susceptibility measurements of NdWN3 (Fig. 2d) show paramagnetic behaviour of Nd3+ without magnetic ordering down to 2 K. We request 2 days of beamtime to study Ce2WN4 and NdWN3 on the WISH beamline at ISIS. Neutron diffraction is essential for crystal and magnetic structure determinations as well as confirming that such nitride perovskites are stoichiometric, oxygen-free, materials.
DOI: 10.5286/isis.e.rb2510697
title: In-Situ Study of Turbostratic Disorder in High-Purity Ti3AlC2 and Ti2AlC by PDF analysis

description: This proposal seeks to investigate the turbostratic disorder in high-purity Ti3AlC2 and Ti2AlC MAX-phase powders using Pair Distribution Function (PDF) analysis. Turbostratic disorder is the rotational misalignment between crystallographic layers, and produces characteristic asymmetric broadening of diffraction peaks. This can complicate conventional diffraction techniques such as Rietveld refinement. MAX-phases exhibit significant turbostratic disorder, impacting their mechanical properties and suitability for nuclear applications. This study builds upon previous neutron diffraction experiments at Engin-X and Electron Backscatter diffraction (EBSD), which confirmed the presence of turbostratic disorder features in the diffraction data. However, limitations of the Rietveld refinement method suggest that PDF analysis may be superior in isolating and characterising the turbostratic disorder. The proposed beamtime calls for in situ neutron diffraction at a range of temperatures (25-1000°C) to isolate and analyse features identifying turbostratic broadening. This will provide crucial experimental data against which models of diffraction and mechanical behaviour may be tested. These results could therefore enhance data fitting techniques for a range of turbostratically-disordered materials.
DOI: 10.34816/ifao.archives.232974
title: SAQQARA_nb_1994_06042

description: Référence : nb_1994_06042<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/9zg-d90-7qh
title: Mitraria coccinea Cav.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420027
title: Short range order in Al2TiO5 and its higher order unconventional phases

description: The Al-Ti-O system finds uses in industry as a coating, mainly Al2TiO5. However, Al2TiO5 decomposes into its constituent oxides in the intermediate temperature range, before reforming at high temperatures. Here, we propose a combined average structure and total scattering study on Al2TiO5 and two higher order phases, Al6Ti2O13 and Al16Ti5O34, to probe anti-site metal short range order and the influence of oxygen vacancies on phase stability and formation. Further, a variable T in situ study aims to reveal directly the influence of oxygen vacancy mobility on crystallisation in Al2TiO5.
DOI: 10.5286/isis.e.rb2420027-1
title: Short range order in Al2TiO5 and its higher order unconventional phases

description: The Al-Ti-O system finds uses in industry as a coating, mainly Al2TiO5. However, Al2TiO5 decomposes into its constituent oxides in the intermediate temperature range, before reforming at high temperatures. Here, we propose a combined average structure and total scattering study on Al2TiO5 and two higher order phases, Al6Ti2O13 and Al16Ti5O34, to probe anti-site metal short range order and the influence of oxygen vacancies on phase stability and formation. Further, a variable T in situ study aims to reveal directly the influence of oxygen vacancy mobility on crystallisation in Al2TiO5.
DOI: 10.5286/isis.e.rb2510719-1
title: µSR investigation of a noncentrosymmetric high entropy alloy superconductor La0.70Ir0.10Rh0.10Ni0.05Pd0.05

description: High entropy alloys (HEAs) are a mixture of multiple elements in significant proportions, remarkable mechanical and physical characteristics, and quantum effects such as superconductivity. In superconducting HEAs, the conventional electron pairing mechanism is challenged due to the lack of regular phonon modes, indicating the potential for unconventional superconductivity. This proposal aims to investigate La0.70Ir0.10Rh0.10Ni0.05Pd0.05, a new high-entropy alloy superconductor with a noncentrosymmetric hexagonal structure akin to La7Ir3, in which the time-reversal symmetry (TRS) is broken. The objective is to examine the superconducting ground state via zero field and transverse field µSR measurements to identify TRS breaking and to analyze the superconducting gap structure and pairing symmetry.
DOI: 10.3535/nqp-ybt-p5p
title: Phleum pratense L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wmq-696-rf0
title: Ugni molinae Turcz.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510169-1
title: Changes in the water dynamics of lung cells (A549 cell line) induced by Tocilizumabe

description: Through this proposal, we will achieve a much better understanding on the behaviour of water molecules of cells before and after being treated by the drug tocilizumabe (TCZ) either free or incorporated in the newly developed polymeric nanoparticles. Using TOSCA we will be able to uniquely correlate changes on the mobility of cellular water with the biological outcomes led by the drug.
DOI: 10.5286/isis.e.rb2510719
title: µSR investigation of a noncentrosymmetric high entropy alloy superconductor La0.70Ir0.10Rh0.10Ni0.05Pd0.05

description: High entropy alloys (HEAs) are a mixture of multiple elements in significant proportions, remarkable mechanical and physical characteristics, and quantum effects such as superconductivity. In superconducting HEAs, the conventional electron pairing mechanism is challenged due to the lack of regular phonon modes, indicating the potential for unconventional superconductivity. This proposal aims to investigate La0.70Ir0.10Rh0.10Ni0.05Pd0.05, a new high-entropy alloy superconductor with a noncentrosymmetric hexagonal structure akin to La7Ir3, in which the time-reversal symmetry (TRS) is broken. The objective is to examine the superconducting ground state via zero field and transverse field µSR measurements to identify TRS breaking and to analyze the superconducting gap structure and pairing symmetry.
DOI: 10.34816/ifao.archives.232975
title: SAQQARA_nb_1994_06043

description: Référence : nb_1994_06043<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/20q-48t-2th
title: Geum andicola (Phil.) Reiche

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/shq-ctv-rdy
title: Apera spica-venti (L.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510169
title: Changes in the water dynamics of lung cells (A549 cell line) induced by Tocilizumabe

description: Through this proposal, we will achieve a much better understanding on the behaviour of water molecules of cells before and after being treated by the drug tocilizumabe (TCZ) either free or incorporated in the newly developed polymeric nanoparticles. Using TOSCA we will be able to uniquely correlate changes on the mobility of cellular water with the biological outcomes led by the drug.
DOI: 10.5286/isis.e.rb2510173
title: Structural and magnetic orders in the new high pressure corundum derivative Fe2LiNbO6

description: LiNbO3 (lithium niobate, R3c space group) where Li/Nb cation order in the corundum arrangment) breaks inversion symmetry giving rise to important electro-optic, ferroelectric and piezoelectric effects. Iron-doped lithium niobate is of great interest because of photorefractive properties and photochromism, however, Fe2O3 doping is limited to 11 mol% at ambient conditions so we have explored high-pressure high-temperature syntheses to expand this limit. We have discovered that an almost single phase 1 Fe2O3:1 LiNbO3 material can be prepared at high-pressure. Neutron diffraction is needed to compare possible R3c and R-3c structural models for Fe2LiNbO6 and determine which gives the best description, also providing bond distances and cation populations if two sites are present in the R3c type. Fe2LiNbO6 show two successive magnetic transitions at TC1 ~120 K and at TC2 ~30 K, and Mossbauer spectroscopy confirms Fe3+ spin order at 4 K. Neutron diffraction is therefore also needed to solve the magnetic structure and explore its thermal evolution. Fe2LiNbO6 will be of great interest for multiferroic properties if confirmed to have both polar R3c symmetry and spin order at low temperatures.
DOI: 10.5286/isis.e.rb2510173-1
title: Structural and magnetic orders in the new high pressure corundum derivative Fe2LiNbO6

description: LiNbO3 (lithium niobate, R3c space group) where Li/Nb cation order in the corundum arrangment) breaks inversion symmetry giving rise to important electro-optic, ferroelectric and piezoelectric effects. Iron-doped lithium niobate is of great interest because of photorefractive properties and photochromism, however, Fe2O3 doping is limited to 11 mol% at ambient conditions so we have explored high-pressure high-temperature syntheses to expand this limit. We have discovered that an almost single phase 1 Fe2O3:1 LiNbO3 material can be prepared at high-pressure. Neutron diffraction is needed to compare possible R3c and R-3c structural models for Fe2LiNbO6 and determine which gives the best description, also providing bond distances and cation populations if two sites are present in the R3c type. Fe2LiNbO6 show two successive magnetic transitions at TC1 ~120 K and at TC2 ~30 K, and Mossbauer spectroscopy confirms Fe3+ spin order at 4 K. Neutron diffraction is therefore also needed to solve the magnetic structure and explore its thermal evolution. Fe2LiNbO6 will be of great interest for multiferroic properties if confirmed to have both polar R3c symmetry and spin order at low temperatures.
DOI: 10.21233/n3gv34
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: 10.3535/64v-nlt-11j
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ghb-522-0bz
title: Sarmienta scandens (Brandis) Pers.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2500027-1
title: Neutron diffraction measurements of residual stress in additive and subtractive hybrid manufactured (CoCrNi)94Ti3Al3 medium entropy alloy

description: (CoCrNi)94Ti3Al3 medium entropy alloy (MEA) exhibits excellent properties that are superior to traditional
 alloys and possess the potential for service under specific working conditions. However, high-technology
 developments have required the integrated complicated components (e.g. sharp corners, thin-walled
 structures and curved shapes) with high-quality surface roughness, and dimensional accuracy. With this in
 mind, additive and subtractive hybrid manufacturing (ASHM), in which additive manufacturing (AM) can
 generate raw parts with near-net-shape dimensional characteristics whereas subtractive machining (SM)
 operations achieve the desired dimensional accuracy and surface finish, maybe a superior manufacturing
 strategy of utilizing high-performance MEA parts. It is particularly noteworthy that the SM process
 complicates the residual stress generated by the thermal history of the AM process. The complex stress
 distribution may cause component warping and cracking, deteriorating the service performance. We
 therefore propose to study the distribution and evolution of the residual stress in the ASHM-fabricated
 MEAs, to lay a reliable theoretical foundation for manufacturing high performance components.
DOI: 10.5286/isis.e.rb2510514
title: The liquid structure of a new electrolyte for aluminium batteries – part 2

description: Aluminium ion batteries are a nascent technology that could potentially complement conventional lithium-ion batteries. Aluminium is inexpensive, easily available world-wide, and can carry triple charge (Al3+), in contrast to lithium (Li+). Chloroaluminate ionic liquids (state-of-the-art in Al-electrolytes) suffer from (i) relatively high viscosity, (ii) expensive organic cations and (iii) very high corrosivity. Recently, we have published on a new family of Al-ILs that overcome all these issues, albeit - speciation of aluminium in these new media is uncertain. 
Here, we propose to study the liquid structure of the Al-SIL electrolyte, to gain better understanding of the actual species 
present, and inform its optimisation for electrochemical studies, ongoing in the Matuszek group. As a comparator, we propose to study an analogous gallium formulation, which offers an interesting comparator as a heavier Group 13 metal, and is of interest in its own right, as a strong Lewis acidic catalyst
DOI: 10.5286/isis.e.rb2510514-1
title: The liquid structure of a new electrolyte for aluminium batteries – part 2

description: Aluminium ion batteries are a nascent technology that could potentially complement conventional lithium-ion batteries. Aluminium is inexpensive, easily available world-wide, and can carry triple charge (Al3+), in contrast to lithium (Li+). Chloroaluminate ionic liquids (state-of-the-art in Al-electrolytes) suffer from (i) relatively high viscosity, (ii) expensive organic cations and (iii) very high corrosivity. Recently, we have published on a new family of Al-ILs that overcome all these issues, albeit - speciation of aluminium in these new media is uncertain. 
Here, we propose to study the liquid structure of the Al-SIL electrolyte, to gain better understanding of the actual species 
present, and inform its optimisation for electrochemical studies, ongoing in the Matuszek group. As a comparator, we propose to study an analogous gallium formulation, which offers an interesting comparator as a heavier Group 13 metal, and is of interest in its own right, as a strong Lewis acidic catalyst
DOI: 10.34816/ifao.archives.232976
title: SAQQARA_nb_1994_06044

description: Référence : nb_1994_06044<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/w7g-bws-tyw
title: Luzuriaga Ruiz & Pav.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2500037
title: Rapid Access: Structural Evaluation of Nanoporous carbon materials for in-situ supercapacitors

description: Electrochemical double-layer (EDL) supercapacitors are an important, emergent class of energy storage devices that can deliver much higher power densities than batteries. The energy storage mechanism is in the formation of a layer of ions at electrode surfaces as the supercapacitor is charged – the EDL. Our understanding of this mechanism is currently limited by the absence of experimental techniques to determine the structure of the ions and solvent molecules at the EDL in atomistic-detail. In this experiment we will study to pore scale uptake of an organic electrolyte in three different nanoporous carbon from which we will be able to observe if there are any changes in salt concentration compared to the bulk due to the small size of the pores.
DOI: 10.5286/isis.e.rb2500037-1
title: Rapid Access: Structural Evaluation of Nanoporous carbon materials for in-situ supercapacitors

description: Electrochemical double-layer (EDL) supercapacitors are an important, emergent class of energy storage devices that can deliver much higher power densities than batteries. The energy storage mechanism is in the formation of a layer of ions at electrode surfaces as the supercapacitor is charged – the EDL. Our understanding of this mechanism is currently limited by the absence of experimental techniques to determine the structure of the ions and solvent molecules at the EDL in atomistic-detail. In this experiment we will study to pore scale uptake of an organic electrolyte in three different nanoporous carbon from which we will be able to observe if there are any changes in salt concentration compared to the bulk due to the small size of the pores.