cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2400049
title: Determination of zero-field magnetic structure of antiferromagnetic EuSnP

description: Based on magnetization and magnetotransport data, antiferromagnetic EuSnP is considered a possible skyrmionic lattice, despite its centrosymmetric crystal structure. To verify this tempting conjecture, neutron diffraction or resonant elastic X-ray scattering studies in an external magnetic field of about 2 T should be carried out. However, a prerequisite for such experiments is knowledge of the magnetic wave vector in zero magnetic field. The aim of this proposal is to determine the zero-field magnetic wave vector and magnetic structure of EuSnP at a temperature of 5 K using the SXD diffractometer at ISIS Facility.
DOI: 10.5286/isis.e.rb2455016-2
title: High Fidelity Residual Stress Measurement for High Speed Flywheel Rotor Stress
DOI: 10.5286/isis.e.rb2490283-1
title: Crystal field excitations of DyInO3
DOI: 10.15468/dl.st3j3r
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rosa ×alba L.",
 "Country is Latvia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109288-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/43h-cwj-1bc
title: Eucryphia cordifolia Cav.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ar2-tdj-kqx
title: Boquila trifoliolata (DC.) Decne.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420184
title: IN-SITU STUDY OF 2D ORGANIC HYBRID PEROVSKITES AT THE AIR-WATER INTERFACE

description: Perovskites have aroused a great interest due to their excellent optical properties that make them a very attractive material as a component, among others, of solar cells. Optimizing the nature and architecture of the material, it has been possible to increase the conversion efficiency in solar cells until 25.7%. However, these materials present structural defects which decrease its stability due to charge recombination. To improve its stability, surface passivation using quaternary ammonium salts was proposed. The passivated material is obtained in bulk and further transferred to a solid by drop casting or spin coating. However, these techniques often drive to non-uniform or clumped films of the low quality. To solve this problem, we have designed a new preparation procedure based on the Langmuir- Schaefer methodology. However, high quality perovskites require an elevate order degree which depends on the structure of the surface state of the film transferred from the air-liquid interface to the solid. Therefore, the main objective of the proposal is understanding of structure of perovskites formed at the different packing densities using Neutron Reflectometry.
DOI: 10.5286/isis.e.rb2420184-1
title: IN-SITU STUDY OF 2D ORGANIC HYBRID PEROVSKITES AT THE AIR-WATER INTERFACE

description: Perovskites have aroused a great interest due to their excellent optical properties that make them a very attractive material as a component, among others, of solar cells. Optimizing the nature and architecture of the material, it has been possible to increase the conversion efficiency in solar cells until 25.7%. However, these materials present structural defects which decrease its stability due to charge recombination. To improve its stability, surface passivation using quaternary ammonium salts was proposed. The passivated material is obtained in bulk and further transferred to a solid by drop casting or spin coating. However, these techniques often drive to non-uniform or clumped films of the low quality. To solve this problem, we have designed a new preparation procedure based on the Langmuir- Schaefer methodology. However, high quality perovskites require an elevate order degree which depends on the structure of the surface state of the film transferred from the air-liquid interface to the solid. Therefore, the main objective of the proposal is understanding of structure of perovskites formed at the different packing densities using Neutron Reflectometry.
DOI: 10.5286/isis.e.rb2469102-1
title: Correlating the surfactant-rich interparticle volume to the water absorption and rheological behaviour in a model waterborne coating

description: Waterborne coatings are a viable alternative to traditional solventborne coatings to reduce the emissions of harmful Volatile Organic Compounds. Currently, their development is hindered by the complex structure created in the film. This structure arises when the coating goes from a heterogeneous liquid dispersion to a solid film. In particular, the focus of this research is to understand how the film’s structure is related to the water transport for the purpose of improving the film’s anticorrosion performance. 
Most films are treated as homogenized after drying, with some reports of heterogeneous areas located at the particle boundaries leading to preferential water absorption pathway. Nevertheless, these heterogeneities and their effect on have not been thoroughly studied. Small angle scattering experiments would be used to prove that there is a surfactant-rich area at the inter-particle boundary, as well as that this surfactant-rich area is responsible for faster water uptake in the films. Finally, varying the surfactant concentration will prove that a micellar-like order is created at higher surfactant concentrations, reducing the size of the surfactant-rich area.
DOI: 10.3535/d72-0ap-0z9
title: Eucryphia cordifolia Cav.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ple-7sj-1k0
title: Heteranthera limosa (Sw.) Willd.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420172
title: Understanding Crystalline Electric Field Levels, Hybridization, and Magnetic Anisotropy in RNi2Ge2 (R = Ce, Yb)

description: We are undertaking a U.S. Department-of-Energy Clean-Energy research project that ultimately aims to develop new ab initio tools to understand and predict mixed valence and magnetic anisotropy in rare-earth compounds. These tools include using DFT with Gutzwiller wavefunctions and correlation matrix renormalization theory. Vital to our investigations is performing new experimental measurements on targeted materials to obtain data for the magnetic anisotropy and CEF level scheme which will be used to develop our understanding and tools. Here, we request four days on MARI to study the CEF states of Yb and Ce in YbNi2Ge2 and CeNi2Ge2 as input for our theory. We ultimately aim to understand and predict properties such as magnetic anisotropy due to CEF splitting in the presence of significant hybridization.
DOI: 10.5286/isis.e.rb2420172-1
title: Understanding Crystalline Electric Field Levels, Hybridization, and Magnetic Anisotropy in RNi2Ge2 (R = Ce, Yb)

description: We are undertaking a U.S. Department-of-Energy Clean-Energy research project that ultimately aims to develop new ab initio tools to understand and predict mixed valence and magnetic anisotropy in rare-earth compounds. These tools include using DFT with Gutzwiller wavefunctions and correlation matrix renormalization theory. Vital to our investigations is performing new experimental measurements on targeted materials to obtain data for the magnetic anisotropy and CEF level scheme which will be used to develop our understanding and tools. Here, we request four days on MARI to study the CEF states of Yb and Ce in YbNi2Ge2 and CeNi2Ge2 as input for our theory. We ultimately aim to understand and predict properties such as magnetic anisotropy due to CEF splitting in the presence of significant hybridization.
DOI: 10.5286/isis.e.rb2469102
title: Correlating the surfactant-rich interparticle volume to the water absorption and rheological behaviour in a model waterborne coating

description: Waterborne coatings are a viable alternative to traditional solventborne coatings to reduce the emissions of harmful Volatile Organic Compounds. Currently, their development is hindered by the complex structure created in the film. This structure arises when the coating goes from a heterogeneous liquid dispersion to a solid film. In particular, the focus of this research is to understand how the film’s structure is related to the water transport for the purpose of improving the film’s anticorrosion performance. 
Most films are treated as homogenized after drying, with some reports of heterogeneous areas located at the particle boundaries leading to preferential water absorption pathway. Nevertheless, these heterogeneities and their effect on have not been thoroughly studied. Small angle scattering experiments would be used to prove that there is a surfactant-rich area at the inter-particle boundary, as well as that this surfactant-rich area is responsible for faster water uptake in the films. Finally, varying the surfactant concentration will prove that a micellar-like order is created at higher surfactant concentrations, reducing the size of the surfactant-rich area.
DOI: 10.3535/v7k-wk7-9f3
title: Myriophyllum scabratum Michx.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410394
title: A nuclear quantum view of the phase evolution of 2-dimensional water

description: Understanding water at interfaces is fundamentally important since it governs a series of phenomena, including wetting, transport, and chemical reactions. At angstrom/nanoscale confinement, the unusual behaviour of water that deviates from what is known for the bulk opens a new field of exploration that can change how these systems are understood. However, to exploit the potential of such properties, it is necessary to achieve a detailed understanding of the structure and phases of water under such conditions. Although theoretical studies on the phases of 2-dimensional (2D) confined water are found in the literature, the fundamental base still lacks experimental validation. Herein, using VESUVIO, we propose to determine the vibrational influences on the phase evolution and hydrogen bonding network of 2D water experimentally for the first time. Graphite single crystals able of accommodating water molecules in the interlayer spacing will be analysed by a sophisticated inelastic neutron scattering approach at different temperatures. The high sensitivity to hydrogen and deuterium provided by VESUVIO will strongly support our current investigation where promising results were achieved using synchrotron X-Ray pair distribution function and synchrotron IR microspectroscopy. The results will be exclusive and provide a better picture of the nature of phase transitions in 2D water and the still obscure hydrogen-bonding network at the quantum level, supported by theoretical simulations.
DOI: 10.5286/isis.e.rb2410394-1
title: A nuclear quantum view of the phase evolution of 2-dimensional water

description: Understanding water at interfaces is fundamentally important since it governs a series of phenomena, including wetting, transport, and chemical reactions. At angstrom/nanoscale confinement, the unusual behaviour of water that deviates from what is known for the bulk opens a new field of exploration that can change how these systems are understood. However, to exploit the potential of such properties, it is necessary to achieve a detailed understanding of the structure and phases of water under such conditions. Although theoretical studies on the phases of 2-dimensional (2D) confined water are found in the literature, the fundamental base still lacks experimental validation. Herein, using VESUVIO, we propose to determine the vibrational influences on the phase evolution and hydrogen bonding network of 2D water experimentally for the first time. Graphite single crystals able of accommodating water molecules in the interlayer spacing will be analysed by a sophisticated inelastic neutron scattering approach at different temperatures. The high sensitivity to hydrogen and deuterium provided by VESUVIO will strongly support our current investigation where promising results were achieved using synchrotron X-Ray pair distribution function and synchrotron IR microspectroscopy. The results will be exclusive and provide a better picture of the nature of phase transitions in 2D water and the still obscure hydrogen-bonding network at the quantum level, supported by theoretical simulations.
DOI: 10.5286/isis.e.rb2455019-1
title: In-Situ Measurement of High Pressure Gaseous Hydrogen Ingression in Metal
DOI: 10.3535/1g0-j5p-djg
title: Panicum brevifolium L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/206-ws7-zpj
title: Polygonum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5281/zenodo.5578629
title: Datasets for Ecohydrological Model for Grassland Lacking Historical Measurements

description: We proposed the distributed dynamic process model (DDPM) and here are the example datasets of our model.

Datasets I : Eva_module_datasets.zip: Here are the datasets for running the DDPM Eva module.

Datasets II: RP&FLC_module_datasets.zip: Here are the datasets for running the DDPM RP & FLC module.

 

Also, you can find our model at https://github/myli1993/DDPM_ver1.0.

You can watch my report on MODSIM 2021 at https://www.bilibili.com/video/BV1vR4y1s7vc.

-----------------------------------------------------------------------------------------

When using this dataset, please cite:

[1] Li, MY.; Liu, TX.; Duan, LM.; et al. Confluence simulations based on dynamic channel parameters in the grasslands lacking historical measurements. Journal of Hydrology, 2023, Volume 627, 130425. https://doi.org/10.1016/j.jhydrol.2023.130425

[2] Li, MY.; Liu, TX.; Duan, LM.; et al. A novel evapotranspiration downscaling approach based on dynamic sensitive parameters and deep learning in the grassland lacking historical measurements. Ecological Indicators, 2025, Volume 178, 113839. https://doi.org/10.1016/j.ecolind.2025.113839

-----------------------------------------------------------------------------------------

What's new:

Version 1.01:

Here, we added the datasets for Eva module, and renamed the datasets for RP & FLC module. If you have downloaded the datasets in Version 1.0, you don't have to download the RP&FLC_module_datasets.zip for another time.
DOI: 10.5281/zenodo.5787588
title: Datasets for Ecohydrological Model for Grassland Lacking Historical Measurements

description: We proposed the distributed dynamic process model (DDPM) and here are the example datasets of our model.

Datasets I : Eva_module_datasets.zip: Here are the datasets for running the DDPM Eva module.

Datasets II: RP&FLC_module_datasets.zip: Here are the datasets for running the DDPM RP & FLC module.

 

Also, you can find our model at https://github/myli1993/DDPM_ver1.0.

You can watch my report on MODSIM 2021 at https://www.bilibili.com/video/BV1vR4y1s7vc.

-----------------------------------------------------------------------------------------

When using this dataset, please cite:

[1] Li, MY.; Liu, TX.; Duan, LM.; et al. Confluence simulations based on dynamic channel parameters in the grasslands lacking historical measurements. Journal of Hydrology, 2023, Volume 627, 130425. https://doi.org/10.1016/j.jhydrol.2023.130425

[2] Li, MY.; Liu, TX.; Duan, LM.; et al. A novel evapotranspiration downscaling approach based on dynamic sensitive parameters and deep learning in the grassland lacking historical measurements. Ecological Indicators, 2025, Volume 178, 113839. https://doi.org/10.1016/j.ecolind.2025.113839

-----------------------------------------------------------------------------------------

What's new:

Version 1.01:

Here, we added the datasets for Eva module, and renamed the datasets for RP & FLC module. If you have downloaded the datasets in Version 1.0, you don't have to download the RP&FLC_module_datasets.zip for another time.
DOI: 10.5286/isis.e.rb2420075
title: Understanding ritual practices in Neolithic Saudi Arabia on horn sheaths from Mustatils using Vibrational Spectroscopy

description: Archaeological research in Saudi Arabia is going through a period of intense development that is constantly leading to important discoveries. Mustatils are massive stone structures serving ritual purpose that were built in hundreds in Northwest Arabia 7500 years ago by nomadic pastoral populations. An exceptional category of finds is represented by horn sheaths, made of the outer keratin shell of the horn. Due to its organic protein composition, the sheath is usually not preserved in archaeology and lacks research. To shed light on the horn treatment, desiccation through deliberate heating, colouring and degradation, we propose an Inelastic Neutron Scattering experiment on fragments and pieces from a selection of horn sheaths. The aim is to obtain, through vibrational spectroscopy, the amount of water in the sample, therefore their level of desiccation, and the possibility of the sheaths having been deliberately heated, therefore presenting new peaks due to temperature-induced reactions. INS spectra will be compared to heated and unheated keratin samples, as a comparison for both hydration-water levels and the presence of temperature-induced vibrational modes. In general, vibrational spectroscopy will provide a means to assess the presence of other chemicals on the surface of the samples, therefore allowing a deeper understanding of Mustatils practices.
DOI: 10.5286/isis.e.rb2420075-1
title: Understanding ritual practices in Neolithic Saudi Arabia on horn sheaths from Mustatils using Vibrational Spectroscopy

description: Archaeological research in Saudi Arabia is going through a period of intense development that is constantly leading to important discoveries. Mustatils are massive stone structures serving ritual purpose that were built in hundreds in Northwest Arabia 7500 years ago by nomadic pastoral populations. An exceptional category of finds is represented by horn sheaths, made of the outer keratin shell of the horn. Due to its organic protein composition, the sheath is usually not preserved in archaeology and lacks research. To shed light on the horn treatment, desiccation through deliberate heating, colouring and degradation, we propose an Inelastic Neutron Scattering experiment on fragments and pieces from a selection of horn sheaths. The aim is to obtain, through vibrational spectroscopy, the amount of water in the sample, therefore their level of desiccation, and the possibility of the sheaths having been deliberately heated, therefore presenting new peaks due to temperature-induced reactions. INS spectra will be compared to heated and unheated keratin samples, as a comparison for both hydration-water levels and the presence of temperature-induced vibrational modes. In general, vibrational spectroscopy will provide a means to assess the presence of other chemicals on the surface of the samples, therefore allowing a deeper understanding of Mustatils practices.
DOI: 10.5286/isis.e.rb2455019
title: In-Situ Measurement of High Pressure Gaseous Hydrogen Ingression in Metal
DOI: 10.3535/kv8-8yj-m8w
title: Philesia Comm. ex Juss.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/t0t-bqg-z68
title: Poaceae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410374-2
title: CO2 fluidising Deep Eutectic Solvents

description: Deep eutectic solvents (DES) are mixtures of two or more small molecules where strong intermolecular interactions lead to the formation of liquids at room temperatures. These solvents have wide applications from biomass extraction to syntheses, potentially replacing toxic and volatile organic solvents with liquids that can be made from more environmentally friendly components. The big drawback of DES is their high viscosities, which leads many researchers to add species such as water to fluidise them. However water is not compatible with all processes, so we have started a research program to explore fluidisation with CO2 instead. CO2 has no dipole moment so we expect quite different interactions with highly polar DES systems, to that of water. Here we propose to study the structure of a DES commonly used in biomass extractions choline chloride:oxalic acid: ethylene glycol, in the absence of CO2 and then at several different pressures of CO2 to determine how CO2 is incorporated into this liquid, and thus the mechanism for the observed viscosity reductions, and to link to biomass extraction efficiency in the fluidised DES.
DOI: 10.5286/isis.e.rb2420082
title: Complex transition-metal oxyfluorides prepared via topochemical manipulation

description: Topochemical fluorination of A3B2O7, n = 2 Ruddlesden-Popper oxides yields phases of composition A3B2OxFy (5≤x≤7, 2≤y≤4, x+y = 9). The synthesis of these phases has been shown to occur via both the intercalation of F- in the rocksalt layers of the host phases and partial substitution of ‘framework’ oxide ions. Subsequent reduction of these oxyfluorides using LiH yields phases with anionic contents varying from O5F4 to O4F2, none of which can be prepared directly via conventional ceramic synthesis. We propose to collect neutron powder diffraction data from a series of LaSr3CoRuOxFy and La3Ni2OxFy phases to determine the crystal and magnetic structures.
DOI: 10.5286/isis.e.rb2420082-1
title: Complex transition-metal oxyfluorides prepared via topochemical manipulation

description: Topochemical fluorination of A3B2O7, n = 2 Ruddlesden-Popper oxides yields phases of composition A3B2OxFy (5≤x≤7, 2≤y≤4, x+y = 9). The synthesis of these phases has been shown to occur via both the intercalation of F- in the rocksalt layers of the host phases and partial substitution of ‘framework’ oxide ions. Subsequent reduction of these oxyfluorides using LiH yields phases with anionic contents varying from O5F4 to O4F2, none of which can be prepared directly via conventional ceramic synthesis. We propose to collect neutron powder diffraction data from a series of LaSr3CoRuOxFy and La3Ni2OxFy phases to determine the crystal and magnetic structures.
DOI: 10.34816/ifao.archives.232875
title: SAQQARA_nb_1994_03354

description: Référence : nb_1994_03354<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/11c-20k-tqj
title: Luma apiculata (DC.) Burret

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