cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2310359
title: Particle-Stabilized Emulsions: Relating contact angle to hydrophobicity using water freezing temperature and diffusion coefficient values.

description: Many foods are emulsions that have very large interfacial areas between oil and water, and subsequently prone to chemical deterioration caused by oxidation. Therefore, new technologies with optimal design of the oil-water interface are crucial to ensure optimal food processing, quality and safety. Pickering-stabilized micro-antibubbles can be produced by first making a particle-stabilized water-in-oil-in-water (W/O/W) emulsion and then remove the water and oil by freeze-drying the W/O/W emulsion. It is well known that the structure of water is perturbed heavily near surfaces which have the potential to affect water diffusion. There is a clear relationship between the variation of the diffusion coefficient Dt and surface wettability. By using quasielastic neutron scattering (QENS), we will obtain information about proton self-diffusion, while inelastic neutron scattering (INS) will be used to gather knowledge of collective density fluctuations. Combining these results will allow us to predict the wettability and give an insight on the water’s adhesion energy on Pickering-stabilized micro-antibubbles where the water contact angle cannot be measured.
DOI: 10.5286/isis.e.rb2310359-1
title: Particle-Stabilized Emulsions: Relating contact angle to hydrophobicity using water freezing temperature and diffusion coefficient values.

description: Many foods are emulsions that have very large interfacial areas between oil and water, and subsequently prone to chemical deterioration caused by oxidation. Therefore, new technologies with optimal design of the oil-water interface are crucial to ensure optimal food processing, quality and safety. Pickering-stabilized micro-antibubbles can be produced by first making a particle-stabilized water-in-oil-in-water (W/O/W) emulsion and then remove the water and oil by freeze-drying the W/O/W emulsion. It is well known that the structure of water is perturbed heavily near surfaces which have the potential to affect water diffusion. There is a clear relationship between the variation of the diffusion coefficient Dt and surface wettability. By using quasielastic neutron scattering (QENS), we will obtain information about proton self-diffusion, while inelastic neutron scattering (INS) will be used to gather knowledge of collective density fluctuations. Combining these results will allow us to predict the wettability and give an insight on the water’s adhesion energy on Pickering-stabilized micro-antibubbles where the water contact angle cannot be measured.
DOI: 10.5286/isis.e.rb2310615
title: Studying nonlinear viscoelastic properties of soft condensed matter with time-of-flight based RheoSANS measurements

description: Soft condensed matter is of great interest for fundamental science as well as with respect to applications in medical engineering, for example as lubrication or as responsive biomaterials, to name just a few. This is enabled by the tuneability of viscoelastic properties of polymeric materials. We are interested in the linear triblock copolymer Pluronic F127, which self-assembles into micelles at specific temperatures and mass concentration when diluted in water. Of particular interest is it to identify and characterize non-linearities in stress-strain relationship of the materials. We aim to investigate this domain by using the available rheometer at ISIS to apply Large Amplitude Oscillatory Shear (LAOS) to our sample. One cycle of shear application will be in the range of 1 Hz, which is an interesting time scale to investigate crystallization processes and subsequently non-linear effects like shear bands, which we propose to investigate with an experiment at SANS2D. Neutron data will be taken in event mode, which enables us to link every detected neutron to the stress-strain curve of the rheometer by a time-of-flight measurement. This method makes later analysis and potential rebinning of the data possible. Our proposal suggests to make measurements at different shear amplitudes and frequencies as well in radial and tangential orientation and for several points in the sample to obtain a spatial resolution. Overall, we ask for 4 days of beam time at SANS2D.
DOI: 10.34816/ifao.archives.232682
title: SAQQARA_pv_2004_00721

description: Référence : pv_2004_00721<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/4ep-17f-pjh
title: Tripleurospermum inodorum (L.) Sch.-Bip

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/54v-rq5-hsm
title: Orchis sambucina L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310307
title: INS STUDY OF 5-HYDROXYMETHYL FURFURAL (HMF) ON A BIOCHAR CATALYST - MAPS

description: The oxidation of 5-hydroxymethyl furfural (HMF) can lead to the production of poly(ethylene 2,5-furandicarboxylate) (PEF) – a polymer that could replace the petroleum based polyethylene terephthalate (PET). PEF can be synthesised by copolymerisation of 2,5-furan dicarboxylic acid (FDCA) with ethylene glycol. In Warwick an iron-containing MOF was used for HMF oxidation and found to catalyse the reaction under very mild conditions by use of an organic peroxide and radical mediator co-catalyst. Although the MOF catalyst is surprisingly robust and can be recycled, we have extended this work to more readily available catalysts and have found that biochar (BCR), produced from palm oil empty fruit bunch which naturally contains a small amount of Fe, provides similar catalytic efficiency to the MOF catalyst, giving good yield of FDCA, and recyclability. To this end, we wish to use INS to study the details of the interaction of HMF and the co-catalyst TEMPO with the MOF and BCR. The comparison will aid the mechanistic understanding of both materials and point towards opportunities for improvement e.g. incorporation of acid functionality in the MOF or increasing the Fe content of the BCR.
DOI: 10.5286/isis.e.rb2310307-1
title: INS STUDY OF 5-HYDROXYMETHYL FURFURAL (HMF) ON A BIOCHAR CATALYST - MAPS

description: The oxidation of 5-hydroxymethyl furfural (HMF) can lead to the production of poly(ethylene 2,5-furandicarboxylate) (PEF) – a polymer that could replace the petroleum based polyethylene terephthalate (PET). PEF can be synthesised by copolymerisation of 2,5-furan dicarboxylic acid (FDCA) with ethylene glycol. In Warwick an iron-containing MOF was used for HMF oxidation and found to catalyse the reaction under very mild conditions by use of an organic peroxide and radical mediator co-catalyst. Although the MOF catalyst is surprisingly robust and can be recycled, we have extended this work to more readily available catalysts and have found that biochar (BCR), produced from palm oil empty fruit bunch which naturally contains a small amount of Fe, provides similar catalytic efficiency to the MOF catalyst, giving good yield of FDCA, and recyclability. To this end, we wish to use INS to study the details of the interaction of HMF and the co-catalyst TEMPO with the MOF and BCR. The comparison will aid the mechanistic understanding of both materials and point towards opportunities for improvement e.g. incorporation of acid functionality in the MOF or increasing the Fe content of the BCR.
DOI: 10.5286/isis.e.rb2390183-1
title: Ordering in a Fe-Co alloy
DOI: 10.3535/fy8-k04-rew
title: Tripleurospermum inodorum (L.) Sch.-Bip

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/tm5-cgy-s9h
title: Dactylorhiza sambucina (L.) Soó

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310269-2
title: Structural Investigations of Low Thermal Conductivity Materials

description: We wish to exploit the ability of neutrons to locate light atoms in the presence of heavy atoms to investigate the structural properties of new defect pyrochlores with low thermal conductivity that are designed to act as thermal insulation in thermal batteries. Using ion exchange techniques, we have produced mixed ammonium-caesium materials [(NH4)1-xCsxTa1-yNbyWO6 0
DOI: 10.5286/isis.e.rb2410153
title: Experimental Validation of a Generic Contact Model through Compressive Deformation Induced by Contact Forces

description: In the realm of contact problem modelling, numerous solutions are available to address a wide range of scenarios. While contemporary commercial solvers have proven effective, they often require specific problem setups and model parameters, making them less adaptable to diverse situations. In response, we present a novel approach to contact modelling using the Finite Element Method within a legacy version of the FEniCS partial differential equation solver. This approach employs a generic framework to determine contact forces between pairs of objects, offering increased flexibility and ease of use. To assess the viability of this method, it is currently undergoing rigorous testing across various problem domains, withs a critical need for experimental validation. Our proposed experiment centres on the application of this modelling technique to analyse neutron diffraction data derived from a cylindrical bar undergoing compression due to contact forces at both ends. This research promises to provide valuable insights into the applicability and accuracy of our innovative contact modelling approach.
DOI: 10.5286/isis.e.rb2410153-1
title: Experimental Validation of a Generic Contact Model through Compressive Deformation Induced by Contact Forces

description: In the realm of contact problem modelling, numerous solutions are available to address a wide range of scenarios. While contemporary commercial solvers have proven effective, they often require specific problem setups and model parameters, making them less adaptable to diverse situations. In response, we present a novel approach to contact modelling using the Finite Element Method within a legacy version of the FEniCS partial differential equation solver. This approach employs a generic framework to determine contact forces between pairs of objects, offering increased flexibility and ease of use. To assess the viability of this method, it is currently undergoing rigorous testing across various problem domains, withs a critical need for experimental validation. Our proposed experiment centres on the application of this modelling technique to analyse neutron diffraction data derived from a cylindrical bar undergoing compression due to contact forces at both ends. This research promises to provide valuable insights into the applicability and accuracy of our innovative contact modelling approach.
DOI: 10.3535/ntp-4d7-ddb
title: Trichophorum cespitosum (L.) Hartm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310056
title: Structural characterization of ammonia borane and hydrazine bis(borane) encapsulated within zirconium Metal-Organic Frameworks containing heterocyclic linkers

description: The present proposal focuses on the structural determination of adducts between the lightweight inorganic hydrides ammonia borane (NH3BH3, AB, 19.6 wt.% H) and hydrazine bis(borane) (BH3NH2-NH2BH3, HBB, 16.7 wt.% H) and two zirconium(IV) Metal-Organic Frameworks (MOFs) containing bithiazole and bipyridyl-based organic linkers. AB and HBB are among the most studied materials for chemical hydrogen storage, and their nano-confinement into MOFs pores lowers their H2 release temperature through pyrolysis. The [AB@MOF] and [HBB@MOF] composites will be analyzed through neutron diffraction on deuterated samples (before and after thermal treatment) to unveil the plethora of dihydrogen bonding interactions between protonic and hydridic hydrogen atoms present in the crystal lattice, casting light on the H2 release mechanism. The structural analysis of [AB@MOF] and [HBB@MOF] (before and after pyrolysis) through neutron diffraction data is unprecedented, to our knowledge.
DOI: 10.5286/isis.e.rb2310056-1
title: Structural characterization of ammonia borane and hydrazine bis(borane) encapsulated within zirconium Metal-Organic Frameworks containing heterocyclic linkers

description: The present proposal focuses on the structural determination of adducts between the lightweight inorganic hydrides ammonia borane (NH3BH3, AB, 19.6 wt.% H) and hydrazine bis(borane) (BH3NH2-NH2BH3, HBB, 16.7 wt.% H) and two zirconium(IV) Metal-Organic Frameworks (MOFs) containing bithiazole and bipyridyl-based organic linkers. AB and HBB are among the most studied materials for chemical hydrogen storage, and their nano-confinement into MOFs pores lowers their H2 release temperature through pyrolysis. The [AB@MOF] and [HBB@MOF] composites will be analyzed through neutron diffraction on deuterated samples (before and after thermal treatment) to unveil the plethora of dihydrogen bonding interactions between protonic and hydridic hydrogen atoms present in the crystal lattice, casting light on the H2 release mechanism. The structural analysis of [AB@MOF] and [HBB@MOF] (before and after pyrolysis) through neutron diffraction data is unprecedented, to our knowledge.
DOI: 10.5286/isis.e.rb2320342-1
title: Hydrostatic pressure effects on the magnetic excitation spectra of a quasi-two-dimensional S=1 antiferromagnet BaNi2V2O8

description: In this experiment we propose to study the hydrostatic pressure effects on the magnetic excitation spectra of the S=1 honeycomb antiferromagnet (AFM) BaNi2V2O8 which was shown to be a rare ideal physical realization of a quasi-2D AFM over a wide temperature range. BaNi2V2O8 is particular interesting because it reveals signatures for Berezinskii-Kosterlitz-Thousless (BKT) critical behavior within planar 2D XY regime just above Neel-ordering temperature TN. However, the estimated BKT transition temperature T_BKT in BaNi2V2O8 is lower than the TN, thus the quasi-ordered state of vortex/anti-vortex pairs is hidden by long-range magnetic order so that signatures for the decomposed vortex/anti-vortex pairs can be only experimentally observed just above TN. Therefore, searching for the experimental tool which can affect the Hamiltonian and the planar XY anisotropy to make BKT behavior more experimentally accessible is an interesting scientific task and pressure is a promising candidate.
DOI: 10.21233/n3d79k
title: Esker (CA:Nunavut) pollen surface sample dataset

description: Raw data for the Esker (CA:Nunavut) 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/nmn-1vs-hvh
title: Carex elongata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/r8s-9fr-95y
title: Schoenus nigricans L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2320342
title: Hydrostatic pressure effects on the magnetic excitation spectra of a quasi-two-dimensional S=1 antiferromagnet BaNi2V2O8

description: In this experiment we propose to study the hydrostatic pressure effects on the magnetic excitation spectra of the S=1 honeycomb antiferromagnet (AFM) BaNi2V2O8 which was shown to be a rare ideal physical realization of a quasi-2D AFM over a wide temperature range. BaNi2V2O8 is particular interesting because it reveals signatures for Berezinskii-Kosterlitz-Thousless (BKT) critical behavior within planar 2D XY regime just above Neel-ordering temperature TN. However, the estimated BKT transition temperature T_BKT in BaNi2V2O8 is lower than the TN, thus the quasi-ordered state of vortex/anti-vortex pairs is hidden by long-range magnetic order so that signatures for the decomposed vortex/anti-vortex pairs can be only experimentally observed just above TN. Therefore, searching for the experimental tool which can affect the Hamiltonian and the planar XY anisotropy to make BKT behavior more experimentally accessible is an interesting scientific task and pressure is a promising candidate.
DOI: 10.5286/isis.e.rb2490009
title: Crystal field excitations in a quantum spin liquid candidate Ba3Yb(11BO3)3 and KBaEr(11BO3)2
DOI: 10.5286/isis.e.rb2490009-1
title: Crystal field excitations in a quantum spin liquid candidate Ba3Yb(11BO3)3 and KBaEr(11BO3)2
DOI: 10.3535/ngb-tye-8m0
title: Umbilicus rupestris (Salisb.) Dandy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/nr8-7lt-by6
title: Eleocharis quinqueflora (Hartmann) O.Schwarz

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220528
title: Probing the superconducting pairing state in single crystals of noncentrosymmetric La7Ni3 using μSR
DOI: 10.5286/isis.e.rb2220528-1
title: Probing the superconducting pairing state in single crystals of noncentrosymmetric La7Ni3 using μSR
DOI: 10.20383/103.0777
title: Local field potential in the medial prefrontal cortex of 5xFAD mice during exposure to social and non-social odour stimuli

description: This dataset contains local field potential (LFP) data collected from the medial prefrontal cortex of transgenic 5xFAD females and males and wild-type controls (n = 7 females/group, 6 males/group) during exposure to social and non-social olfactory stimuli, as well as VOC level readings from the testing chamber during stimulus presentation. LFP data consists of 15s recordings from a single channel sampled at ~500Hz; zero time is given as the time at which VOC levels (recorded every 250msec) began to increase from baseline. Data also contains artifact-free periods (2s or longer, taken from the 15s period) that were used for final data analysis in the publication. All recordings were taken from the prelimbic or anterior cingulate cortices; recording locations (based on the Allen Mouse Brain Atlas) are provided for each subject.
DOI: 10.3535/rwd-byy-m0f
title: Tanacetum corymbosum subsp. corymbosum

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/v2a-j5r-1y6
title: Pulsatilla montana (Hoppe) Rchb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220496-3
title: Impact of pressure on a highly polymorphic compound, isonicotinamide
DOI: 10.5286/isis.e.rb2310364
title: Investigating Changes in Lattice Dynamics from Post-Synthesis Treatment Processes using Inelastic Neutron Scattering

description: Sulphide superionic materials are candidate electrolytes for all-solid-state batteries. Inelastic neutron scattering (INS) is sought to investigate changes to the phonon band structure in three Li6PS5Cl electrolytes prepared by different methods; a standard cold pressed electrolyte, a heat-treated electrolyte and a spark plasma sintered version. Changes to the vibrational landscape of solid electrolytes can drastically change the prefactors which govern ionic conductivity. The ionic conductivity of the heat treated and plasma sintered Li6PS5Cl samples are substantially greater than that of the commercial cold pressed material. All other terms in the prefactor for conduction have been measured before and after processing. INS will allow us to collect the final prefactor term, giving us an insight into the lattice dynamics and thus material performance.
DOI: 10.5286/isis.e.rb2310364-1
title: Investigating Changes in Lattice Dynamics from Post-Synthesis Treatment Processes using Inelastic Neutron Scattering

description: Sulphide superionic materials are candidate electrolytes for all-solid-state batteries. Inelastic neutron scattering (INS) is sought to investigate changes to the phonon band structure in three Li6PS5Cl electrolytes prepared by different methods; a standard cold pressed electrolyte, a heat-treated electrolyte and a spark plasma sintered version. Changes to the vibrational landscape of solid electrolytes can drastically change the prefactors which govern ionic conductivity. The ionic conductivity of the heat treated and plasma sintered Li6PS5Cl samples are substantially greater than that of the commercial cold pressed material. All other terms in the prefactor for conduction have been measured before and after processing. INS will allow us to collect the final prefactor term, giving us an insight into the lattice dynamics and thus material performance.
DOI: 10.3535/bhr-d25-j0c
title: Bromus lepidus Holmb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220496
title: Impact of pressure on a highly polymorphic compound, isonicotinamide

description: The solid state behaviour of isonicotinamide has been extensively characterised under ambient conditions. It possesses 6 polymorphs that have been access via changes to solvent, experimental conditions etc. This behaviour is, in part, due to the hydrogen bonding groups of the molecule, the amide and pyridine groups. These groups allow for different interaction of molecules leading to different behaviour. We have recently investigated one of these polymorphs (Form I) and shown that it possesses superelastic behaviour on application of pressure (~4 GPa) i.e. the shape of the crystal changes over the transition. Form I possesses different hydrogen bonding to the other forms hence in this proposal, we want to investigate the behaviour of three other polymorphs that share similar hydrogen bonding interactions (chain structure) but are different to Form I.
DOI: 10.5286/isis.e.rb2320191
title: Nighttime atmospheric oxidation for real organic films on atmospheric aerosol using real samples from the atmosphere

description: Oxidation of the organic films on atmospheric aerosol for climate change studies has previously concentrated on daytime oxidants (OH and O3). The behavior of real organic films extracted from the atmosphere at air-water interface of aerosol and cloud droplets with the night-time oxidant (NO3 radical) has not been studied. Our proposed experiment will characterise (film thickness) and study the reactivity of the film (kinetics) to atmospheric oxidation (NO3 radical) of surface-active films extracted from these samples. These precious samples are collected and need to be studied by a high flux Neutron reflectometer. If the oxidation kinetics demonstrate a film lifetime (with respect to oxidation by night-time NO3 radical) of less than 4 days the reaction must be included in atmospheric process modelling. The work supports a NERC grant between ISIS/RHUL and a new joint funded ISIS/RHUL PhD studentship.
DOI: 10.5286/isis.e.rb2320191-1
title: Nighttime atmospheric oxidation for real organic films on atmospheric aerosol using real samples from the atmosphere

description: Oxidation of the organic films on atmospheric aerosol for climate change studies has previously concentrated on daytime oxidants (OH and O3). The behavior of real organic films extracted from the atmosphere at air-water interface of aerosol and cloud droplets with the night-time oxidant (NO3 radical) has not been studied. Our proposed experiment will characterise (film thickness) and study the reactivity of the film (kinetics) to atmospheric oxidation (NO3 radical) of surface-active films extracted from these samples. These precious samples are collected and need to be studied by a high flux Neutron reflectometer. If the oxidation kinetics demonstrate a film lifetime (with respect to oxidation by night-time NO3 radical) of less than 4 days the reaction must be included in atmospheric process modelling. The work supports a NERC grant between ISIS/RHUL and a new joint funded ISIS/RHUL PhD studentship.