cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/hhbwyvcxvs.1
title: Data for: Data-Driven Ambulance Deployment: Closing the Optimality Gap for Online Dispatch

description: These reports provide details for the plots and results in the paper. They contain processed research data that is based on a few sources. 1. OpenStreetMap data licensed under the Open Data Commons Open Database License (ODbL) by the OpenStreetMap Foundation (OSMF). &gt; You are free to copy, distribute, transmit and adapt our data, as long as you credit OpenStreetMap and its contributors. If you alter or build upon our data, you may distribute the result only under the same licence. The full legal code at https://opendatacommons.org/licenses/odbl/1.0/ explains your rights and responsibilities. See details of the copyright and license here: https://www.openstreetmap.org/copyright. 2. ERDA data obtained with a Freedom of Information Act (FOIA) request to the Fire and Emergency Medical Services Department (FEMS) of the District of Columbia, processed by CodeForDC. The code for processing the data is made available under the BSD 3-clause license in https://github.com/codefordc/ERDA, with links to the original and processed data. 3. A map of neighborhood boundaries in the District of Columbia. The Washington Post derived the neighborhood boundaries by reviewing original subdivision data, by reviewing neighborhood maps published in The Post's Where We Live real estate section and by consulting community sources. The 217 neighborhoods shown are intended for standardized data analysis purposes. Work based on data acquired from Washington Post's Homicides in the District interactive map. Data was scraped/cleaned up by @justgrimes from Code for DC, and retrieved from http://www.opendatadc.org/dataset/neighborhood-boundaries-217-neighborhoods-washpost-justgrimes on 11:40AM, 18 September 2015 EDT.
DOI: 10.5286/isis.e.rb2010903-1
title: Effects of methylation on electron transport in double strand DNA

description: Systematic studies on the behaviour of electrons in the normal and damaged DNA using microscopic tools such as μSR techniques are required. We aim to clarify electron transfer in dsDNA by µSR and its relations to different types of damages in DNA. We have been awarded 4 days of beam time form Newton Fund scheme to performed µSR measurement by using HIFI. In this proposal, LF-μSR studies are planned to be carried out on synthetic dsDNAmolecules which are unmethylated dsDNA 5’–ATATATATATAT –3’ (normal), and methylated dsDNA 5’–GCGCGCGCGCGC–3’.
DOI: 10.5286/isis.e.rb2010303
title: (Towards) structural resolution of inter-layer H2O in electroactive transition-metal hydroxides

description: We seek to utilise neutron scattering to elucidate the structure of water in Ni(OH)2 phases in order to understand its role and determine whether electrolyte salt choice can lead to improving material stability. Ni(OH)2 is a layered material that has been studied for a variety of electrochemical applications, including nickel-based batteries, supercapacitors, electrochromic devices and electrocatalysts. Most notably this material is used in the battery of the Toyota Prius. Due to observed phase changes during electrochemical cycling, the more stable beta-NiOOH/beta-Ni(OH)2 transition, with lower charge capacity, is utilised in battery applications instead of the more desirable gamma-Ni(OH)2/alpha-Ni(OH)2 couple. From experiments undertaken in the past few years evidence strongly suggests that water within the crystal structure plays an important role in the stability of Ni(OH)2 phases.
DOI: 10.5286/isis.e.rb2010303-1
title: (Towards) structural resolution of inter-layer H2O in electroactive transition-metal hydroxides

description: We seek to utilise neutron scattering to elucidate the structure of water in Ni(OH)2 phases in order to understand its role and determine whether electrolyte salt choice can lead to improving material stability. Ni(OH)2 is a layered material that has been studied for a variety of electrochemical applications, including nickel-based batteries, supercapacitors, electrochromic devices and electrocatalysts. Most notably this material is used in the battery of the Toyota Prius. Due to observed phase changes during electrochemical cycling, the more stable beta-NiOOH/beta-Ni(OH)2 transition, with lower charge capacity, is utilised in battery applications instead of the more desirable gamma-Ni(OH)2/alpha-Ni(OH)2 couple. From experiments undertaken in the past few years evidence strongly suggests that water within the crystal structure plays an important role in the stability of Ni(OH)2 phases.
DOI: 10.5286/isis.e.rb1920473
title: Operando study of SEI formation on thin-film carbon electrodes

description: During the first cycle of an alkali battery, a passivation layers forms on the electrode surface called the solid electrolyte interphase (SEI), which can grow upon further cycling. This is believed to be related to the significant first-cycle capacity loss observed in disordered carbon electrodes in alkali ion batteries. We wish to investigate compare the SEI formation and growth against lithium, sodium, and potassium metals, providing a real-time verification of various ex situ studies. Understanding the nature of SEI growth is extremely important in the search for better batteries.
DOI: 10.5286/isis.e.rb1920473-1
title: Operando study of SEI formation on thin-film carbon electrodes

description: During the first cycle of an alkali battery, a passivation layers forms on the electrode surface called the solid electrolyte interphase (SEI), which can grow upon further cycling. This is believed to be related to the significant first-cycle capacity loss observed in disordered carbon electrodes in alkali ion batteries. We wish to investigate compare the SEI formation and growth against lithium, sodium, and potassium metals, providing a real-time verification of various ex situ studies. Understanding the nature of SEI growth is extremely important in the search for better batteries.
DOI: 10.5286/isis.e.rb2010146
title: Field evolution of the magnetism in a rare earth Kitaev material

description: Kitaev materials are expected to hold quantum spin liquid (QSL) phase and have attracted a lot of research interests. In this proposal, we plan to reveal the field effect on the magnetism in a newly synthesized rare earth Kitaev material YbCl3, which crystallizes in the same structure as the widely studied compound RuCl3. By measuring the magnetic signals and its field evolution, we will search for the exotic continuum excitations indicating the quantum spin liquid state. The success of this experiment will expand our knowledge on the Kitaev model and the QSL phase.
DOI: 10.5286/isis.e.rb2010146-1
title: Field evolution of the magnetism in a rare earth Kitaev material

description: Kitaev materials are expected to hold quantum spin liquid (QSL) phase and have attracted a lot of research interests. In this proposal, we plan to reveal the field effect on the magnetism in a newly synthesized rare earth Kitaev material YbCl3, which crystallizes in the same structure as the widely studied compound RuCl3. By measuring the magnetic signals and its field evolution, we will search for the exotic continuum excitations indicating the quantum spin liquid state. The success of this experiment will expand our knowledge on the Kitaev model and the QSL phase.
DOI: 10.17632/knv7mm3jfy.1
title: Data for: Magnetic Resonance Imaging Findings in Asymptomatic Elbows

description: Data and images
DOI: 10.5286/isis.e.rb2010488
title: Time-Resolved Studies of Hydrothermal Crystallisation of Titania Using Neutron Diffraction

description: We will test and use a new in situ chemical reaction cell to enable study of the solution crystallisation of functional inorganic materials using powder neutron diffraction. This will make use of recent significant improvements in neutron instrumentation to allow more rapid data acquisition than previously possible so that evolution of atomic-scale structure can be observed in real time. This will allow the formation mechanisms of solid-state materials to be better understood, which is a vital part of the push towards rational design of functional materials. The cell will be versatile enough to be used on multiple ISIS instruments to measure, for example, total scattering, inelastic scattering and, potentially, neutron imaging. Our first experiments will consider the crystallisation of the important photocatalyst, titanium dioxide, where control of its polymorphism is important.
DOI: 10.5286/isis.e.rb2010488-1
title: Time-Resolved Studies of Hydrothermal Crystallisation of Titania Using Neutron Diffraction

description: We will test and use a new in situ chemical reaction cell to enable study of the solution crystallisation of functional inorganic materials using powder neutron diffraction. This will make use of recent significant improvements in neutron instrumentation to allow more rapid data acquisition than previously possible so that evolution of atomic-scale structure can be observed in real time. This will allow the formation mechanisms of solid-state materials to be better understood, which is a vital part of the push towards rational design of functional materials. The cell will be versatile enough to be used on multiple ISIS instruments to measure, for example, total scattering, inelastic scattering and, potentially, neutron imaging. Our first experiments will consider the crystallisation of the important photocatalyst, titanium dioxide, where control of its polymorphism is important.
DOI: 10.5286/isis.e.rb2010164
title: An Investigation of the Low Energy Spin Dynamics of the S=1 Quasi-1D Antiferromagnet Na2RuO4

description: Low dimensional magnets represent a rich, diverse, and unique arena for the exploration and characterisation of exotic and novel physics. One low dimensional magnet based on Ru6+ that has remained relatively unexplored is Na2RuO4. The presence of antiferromagnetic spin chains of S=1 Heisenberg moments suggests that Na2RuO4 may be a physical realisation of the much-celebrated Haldane model within chains of extended 4d orbitals. While preliminary data suggests that Na2RuO4 should exhibit a Haldane gap, phenomenological modelling of experimental data however suggests that its low energy physics is not fully captured by the Haldane model. To address the discrepancy between theory and experiment, we propose to measure a 10 g sample of polycrystalline Na2RuO4 on MARI for 7 days to resolve the correct model for understanding the spin-spin interactions in this material.
DOI: 10.5286/isis.e.rb2010164-1
title: An Investigation of the Low Energy Spin Dynamics of the S=1 Quasi-1D Antiferromagnet Na2RuO4

description: Low dimensional magnets represent a rich, diverse, and unique arena for the exploration and characterisation of exotic and novel physics. One low dimensional magnet based on Ru6+ that has remained relatively unexplored is Na2RuO4. The presence of antiferromagnetic spin chains of S=1 Heisenberg moments suggests that Na2RuO4 may be a physical realisation of the much-celebrated Haldane model within chains of extended 4d orbitals. While preliminary data suggests that Na2RuO4 should exhibit a Haldane gap, phenomenological modelling of experimental data however suggests that its low energy physics is not fully captured by the Haldane model. To address the discrepancy between theory and experiment, we propose to measure a 10 g sample of polycrystalline Na2RuO4 on MARI for 7 days to resolve the correct model for understanding the spin-spin interactions in this material.
DOI: 10.5286/isis.e.rb2010138
title: Negative muon spin rotation and relaxation on spinel Li[Ni1/2Mn3/2]O4

description: This is the second mu-SR proposal intended to clarify the diffusing species in Li battery materials. We have proposed a combined mu+SR and mu-SR experiments to overcome the ambiguity caused by possible mu+ diffusion in solids at high temperatures. In fact, the mu-SR measurements on an olivine-type LiMnPO4 in 2019 (RB1970006) confirmed the reliability of the diffusion coefficient of Li+ estimated by mu+SR. This also indicates that the implanted mu+ is stable in the LiMnPO4 lattice below 300 K and is able to detect Li+ diffusion. Here, we want to continue the investigation on a spinel-type compound, Li[Ni1/2Mn3/2]O4, which is a promising candidate for a cathode material in an all solid-state battery. Since our previous mu+SR work on Li[Ni1/2Mn3/2]O4 (RB1410224) showed a diffusive behavior above 300 K, we plan to measure the mu-SR spectrum at temperatures between 100 and 500 K.
DOI: 10.5286/isis.e.rb2010138-1
title: Negative muon spin rotation and relaxation on spinel Li[Ni1/2Mn3/2]O4

description: This is the second mu-SR proposal intended to clarify the diffusing species in Li battery materials. We have proposed a combined mu+SR and mu-SR experiments to overcome the ambiguity caused by possible mu+ diffusion in solids at high temperatures. In fact, the mu-SR measurements on an olivine-type LiMnPO4 in 2019 (RB1970006) confirmed the reliability of the diffusion coefficient of Li+ estimated by mu+SR. This also indicates that the implanted mu+ is stable in the LiMnPO4 lattice below 300 K and is able to detect Li+ diffusion. Here, we want to continue the investigation on a spinel-type compound, Li[Ni1/2Mn3/2]O4, which is a promising candidate for a cathode material in an all solid-state battery. Since our previous mu+SR work on Li[Ni1/2Mn3/2]O4 (RB1410224) showed a diffusive behavior above 300 K, we plan to measure the mu-SR spectrum at temperatures between 100 and 500 K.
DOI: 10.5286/isis.e.rb1920747
title: Towards a stable measurement system for the investigation of Muonium Reactivity with Metal Nanoparticles in mesoporous silica hosts

description: We have recently sought to develop measurements of paramagnetic (free-radical) final states formed on Au nanoparticles in mesoporous silica by muonium reactivity with surface-adsorbed molecules. Under these conditions, these nanoparticles are thought to facilitate specific reaction steps in the silica host that involve H-atom transfer reactions important to studies in heterogeneous catalysis. However there are very few direct measurements of these kinds of H-atom transfer reactions, which has motivated their study by the isotopic Mu atom. Unfortunately, our initial investigation was compromised by a number of problems with the cell and capillary gas feed. This proposal seeks to demonstrate that new equipment currently under development adequately resolves these problems, enabling reliable and repeatable measurements to be carried out on these systems.
DOI: 10.17632/xptscch2n2.1
title: Data for: Risk Preferences and Poverty Traps in the Uptake of Credit and Insurance amongst Small-Scale Farmers in South Africa

description: The dataset contains experimental data obtained from risk experiments with small scale farmers in the Matzikamma District in the Western Cape, South Africa. In the experiment measures for Risk Aversion, Probability Weighting and Loss Aversion are obtained. The dataset further contains background socio-economic variables obtained via a survey conducted on the day of the experiments.
DOI: 10.5286/isis.e.rb1920747-1
title: Towards a stable measurement system for the investigation of Muonium Reactivity with Metal Nanoparticles in mesoporous silica hosts

description: We have recently sought to develop measurements of paramagnetic (free-radical) final states formed on Au nanoparticles in mesoporous silica by muonium reactivity with surface-adsorbed molecules. Under these conditions, these nanoparticles are thought to facilitate specific reaction steps in the silica host that involve H-atom transfer reactions important to studies in heterogeneous catalysis. However there are very few direct measurements of these kinds of H-atom transfer reactions, which has motivated their study by the isotopic Mu atom. Unfortunately, our initial investigation was compromised by a number of problems with the cell and capillary gas feed. This proposal seeks to demonstrate that new equipment currently under development adequately resolves these problems, enabling reliable and repeatable measurements to be carried out on these systems.
DOI: 10.5286/isis.e.rb2010803-11
title: Proton migration in chromic materials as seen by in-situ simultaneous Neutron Diffraction and Raman Spectroscopy

description: As part of a facility project aimed at developing a new sample environment allowing simultaneous in-situ neutron diffraction and Raman spectroscopy, we propose to study the proton migration in N-(5-chlorosalicylidene)-4-hydroxyaniline and in N-(3,5-di-tert-butylsalicylidene)-3-nitroaniline. Both compounds are chromotropic and such behavior is associated with the transfer of a hydrogen atom from the oxygen atom of a phenolic group to a nitrogen atom to produce an enamine. The proton migration occurs either by thermal (thermochromic) or light stimuli (photochromic) and the possibility of studying the structural features and the Raman response at the same time will probe the mechanisms of action in fine details whilst building fundamental knowledge to be used for further calculations on these systems.
DOI: 10.5286/isis.e.rb2010583
title: Hierarchical Structure of Multicomponent Gels

description: Supramolecular gels form via the self-assembly of low molecular weight gelators (LMWGs) into complex, hierarchical structures. Here we propose a SESANS study of our multicomponent gels prepared using two different gelators. Our group has used rheology, NMR and SEM to characterise these gels but we have been unable to measure relevant sizes. The SESANS experiment aims to further our understanding of multicomponent gels through characterisation of primary fibre structures and network formation. We target systems that vary in their degree of transparencies in a systematic way (as a function of composition). By fully characterising the gel structure in the range of several hundreds of nm to micrometers we gain information relevant to the mechanical properties of the gels.
DOI: 10.5286/isis.e.rb2010583-1
title: Hierarchical Structure of Multicomponent Gels

description: Supramolecular gels form via the self-assembly of low molecular weight gelators (LMWGs) into complex, hierarchical structures. Here we propose a SESANS study of our multicomponent gels prepared using two different gelators. Our group has used rheology, NMR and SEM to characterise these gels but we have been unable to measure relevant sizes. The SESANS experiment aims to further our understanding of multicomponent gels through characterisation of primary fibre structures and network formation. We target systems that vary in their degree of transparencies in a systematic way (as a function of composition). By fully characterising the gel structure in the range of several hundreds of nm to micrometers we gain information relevant to the mechanical properties of the gels.
DOI: 10.5286/isis.e.rb2010113
title: Investigating disordered guest SO2 molecules within an amine-decorated MOF with large-pore apertures

description: Porous functional metal-organic framework (MOF) materials show great potential for gas adsorption and separation. We seek to develop new materials for removal of toxic gases (esp. SO2, a major air pollutant) and request 4 days on NIMROD to study the distribution of SO2 in a highly porous stable, amine-functionalised MOF material (MFM-174) as a function of gas loading. This proposal will allow us to perform correlation studies that will enable the determination of the mechanism of SO2 adsorption, in particular for the distribution of SO2 within the large pores at various pressures of SO2. Comparisons between MFM-174 and the non-amine analogue MFM-170 (Nat. Mater. 2019, DOI: 10.1038/s41563-019-0495-0) will explain the role of NH2 groups in enhancing selective SO2 adsorption. These studies will give important insights for the development of new materials for SO2 sequestration.
DOI: 10.5286/isis.e.rb2010113-1
title: Investigating disordered guest SO2 molecules within an amine-decorated MOF with large-pore apertures

description: Porous functional metal-organic framework (MOF) materials show great potential for gas adsorption and separation. We seek to develop new materials for removal of toxic gases (esp. SO2, a major air pollutant) and request 4 days on NIMROD to study the distribution of SO2 in a highly porous stable, amine-functionalised MOF material (MFM-174) as a function of gas loading. This proposal will allow us to perform correlation studies that will enable the determination of the mechanism of SO2 adsorption, in particular for the distribution of SO2 within the large pores at various pressures of SO2. Comparisons between MFM-174 and the non-amine analogue MFM-170 (Nat. Mater. 2019, DOI: 10.1038/s41563-019-0495-0) will explain the role of NH2 groups in enhancing selective SO2 adsorption. These studies will give important insights for the development of new materials for SO2 sequestration.
DOI: 10.5286/isis.e.rb2010224
title: The P-V-T Equation of State of Ni3Si

description: Geophysical measurements, cosmo-chemical abundances, observations of meteorites, and data from spacecraft indicate that the metallic cores of the terrestrial planets (and e.g. the Jovian moon Ganymede), must be composed of iron alloyed with nickel and with a lighter element such as silicon. Surprisingly, the physical properties of relevant materials, such as Fe3Si and Ni3Si, are not yet well known at the pressures (P) and temperatures (T) of the cores of the Moon, Mercury, Mars and Ganymede. This proposal addresses this dearth of knowledge by studying the behaviour of Ni3Si at simultaneous high pressure and temperature using the PEARL diffractometer. We shall determine both how the volume responds to P and T (the "equation of state") and the extent to which Ni and Si atoms become disordered at high T. Ni3Si is also of industrial importance as a corrosion-resistant, high-strength alloy.
DOI: 10.5286/isis.e.rb2010224-1
title: The P-V-T Equation of State of Ni3Si

description: Geophysical measurements, cosmo-chemical abundances, observations of meteorites, and data from spacecraft indicate that the metallic cores of the terrestrial planets (and e.g. the Jovian moon Ganymede), must be composed of iron alloyed with nickel and with a lighter element such as silicon. Surprisingly, the physical properties of relevant materials, such as Fe3Si and Ni3Si, are not yet well known at the pressures (P) and temperatures (T) of the cores of the Moon, Mercury, Mars and Ganymede. This proposal addresses this dearth of knowledge by studying the behaviour of Ni3Si at simultaneous high pressure and temperature using the PEARL diffractometer. We shall determine both how the volume responds to P and T (the "equation of state") and the extent to which Ni and Si atoms become disordered at high T. Ni3Si is also of industrial importance as a corrosion-resistant, high-strength alloy.
DOI: 10.5286/isis.e.rb2010089
title: A Quasi Elastic Neutron Scattering study of alkylidyne intermediates on model Raney Cobalt Fischer-Tropsch Catalysts

description: The production of fuels from hydrogen and carbon monoxide, using the Fischer-Tropsch process, allows us to move away from an oil based economy. The chemical reactions in this process happen on a cobalt surface and involve the breaking of carbon monoxide bonds, followed by the connection of carbon-hydrogen "building blocks" to make longer chain fuel molecules. The nature, concentration and mobility of these building block intermediates in the Fischer-Tropsch process plays an important role in its efficiency. Our objective is to use Quasi elastic neutron scattering to measure the motion of hydrogen in these surface building blocks. The distinctly different motions of hydrogen will allow us to identify the chemical nature of possible building block species under a range of reaction conditions. Understanding these species allows us to improve the efficiency of the Fischer-Tropsch process.