cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2000148
title: Ferroelectricity vs Antiferroelectricity in n = 2 Ruddlesden–Popper Phases

description: Ferroelectric materials – those with a spontaneous, switchable electric polarization – find application in a wide range of electronic devices. We are investigating a new class of ferroelectric materials, the hybrid improper ferroelectrics, which gain their electric polarization through subtle structural distortions. We have observed that while LiSrTa2O7 adopts an improper ferroelectric structure down to the lowest temperatures measured (5 K), the closely related phase Li2SrNb2O7 switches from an improper ferroelectric to proper ferroelectric structure at low temperature. To better understand the competition between the proper and improper ferroelectric states and how the composition of materials favours one or the other, we have prepared a series of related materials and wish to collect high-resolution neutron powder diffraction data to determine their structures.
DOI: 10.5286/isis.e.rb2000148-1
title: Ferroelectricity vs Antiferroelectricity in n = 2 Ruddlesden–Popper Phases

description: Ferroelectric materials – those with a spontaneous, switchable electric polarization – find application in a wide range of electronic devices. We are investigating a new class of ferroelectric materials, the hybrid improper ferroelectrics, which gain their electric polarization through subtle structural distortions. We have observed that while LiSrTa2O7 adopts an improper ferroelectric structure down to the lowest temperatures measured (5 K), the closely related phase Li2SrNb2O7 switches from an improper ferroelectric to proper ferroelectric structure at low temperature. To better understand the competition between the proper and improper ferroelectric states and how the composition of materials favours one or the other, we have prepared a series of related materials and wish to collect high-resolution neutron powder diffraction data to determine their structures.
DOI: 10.5286/isis.e.rb2010212
title: Uncovering the magnetic structures of geometrically frustrated layered iron oxofluorophosphates

description: KFe(PO3F)2 and (NH4)2Fe(PO3F)2Cl are two new representatives of the layered iron oxofluorophosphate family AFe(PO3F)2 (A = K, NH4, (NH4)2Cl). Their crystal structures comprise different cationic buffers between Fe(PO3F)2 layers in which Fe atoms form equilateral triangular sublattices. Magnetization measurements indicate antiferromagnetic interactions and supressed magnetic order. The latter arises from the combination of low dimensionality and the geometrically frustrated Fe sublattice. Despite significantly different interlayer distances, both compounds order at comparable temperatures around 3 K suggesting possible unconventional exchange interactions. Since complex incommensurate magnetic structures are expected as their ground states, neutron powder diffraction using the high-resolution cold neutron diffractometer WISH will help to uncover their magnetic structures.
DOI: 10.5286/isis.e.rb2010422
title: The Net Task Group 8 dissimilar metal weld international round robin

description: Dissimilar metal welds (DMW’s) can contain severe and complex residual stress fields that adversely affect their integrity in service. The NeT Task Group 8 project is examining a weld residual stress benchmark specimen consisting of a shallow nickel Alloy 52 weld filling a slot in a 18MND5 low alloy steel plate - a candidate for in-service repairs to nuclear reactor components. The development of material microstructure and residual stresses are being both measured and predicted in an international round robin involving members of the NeT network from around the world. We will measure the residual stresses in the as-welded state, contribute the measured stresses to the TG8 round-robin, and use the resulting database to validate multi-scale models of the development of microstructure and residual stress.
DOI: 10.5286/isis.e.rb2010422-1
title: The Net Task Group 8 dissimilar metal weld international round robin

description: Dissimilar metal welds (DMW’s) can contain severe and complex residual stress fields that adversely affect their integrity in service. The NeT Task Group 8 project is examining a weld residual stress benchmark specimen consisting of a shallow nickel Alloy 52 weld filling a slot in a 18MND5 low alloy steel plate - a candidate for in-service repairs to nuclear reactor components. The development of material microstructure and residual stresses are being both measured and predicted in an international round robin involving members of the NeT network from around the world. We will measure the residual stresses in the as-welded state, contribute the measured stresses to the TG8 round-robin, and use the resulting database to validate multi-scale models of the development of microstructure and residual stress.
DOI: 10.5286/isis.e.rb2010440
title: Short range spin ice type correlations of DyAgGe by diffuse neutron scattering

description: Spin ices are exotic phases of matter characterized by frustrated spins obeying local “ice rules” that minimize the number of spatially isolated magnetic monopoles, in analogy with the electric dipoles in water ice. In two dimensions, one can similarly define ice rules for in-plane Ising-like spins arranged on a kagome lattice, leading to a variety of unique orders and excitations. Based on neutron results, HoAgGe is the first compound to realize the kagome spin ice state. We grow DyAgGe single crystal and investigate its magnetic property. Different from Ho spins in the ab plane, Dy spins are lying between c axis and ab plane below 15K. We have determined the magnetic structures of DyAgGe at 13.5K, with ab plane component of ordered moments forming anticlockwise hexagons, similar as HoAgGe case. We plan to do diffuse scattering to detect short range spin ice type correlations at 20K.
DOI: 10.5286/isis.e.rb2010440-1
title: Short range spin ice type correlations of DyAgGe by diffuse neutron scattering

description: Spin ices are exotic phases of matter characterized by frustrated spins obeying local “ice rules” that minimize the number of spatially isolated magnetic monopoles, in analogy with the electric dipoles in water ice. In two dimensions, one can similarly define ice rules for in-plane Ising-like spins arranged on a kagome lattice, leading to a variety of unique orders and excitations. Based on neutron results, HoAgGe is the first compound to realize the kagome spin ice state. We grow DyAgGe single crystal and investigate its magnetic property. Different from Ho spins in the ab plane, Dy spins are lying between c axis and ab plane below 15K. We have determined the magnetic structures of DyAgGe at 13.5K, with ab plane component of ordered moments forming anticlockwise hexagons, similar as HoAgGe case. We plan to do diffuse scattering to detect short range spin ice type correlations at 20K.
DOI: 10.5286/isis.e.rb1920701
title: Dynamics and fragility of the binary alloy Ni75Si25

description: There exists mounting evidence that lliquid metals and alloys are showing a crossover in the dynamics from a fluid-like liquid to a more viscous liquid upon cooling deep inside the liquid state, indicating the beginning of solidification. We already performed a pioneering experiment on a NiSi alloy with a levitation setup in the liquid and undercooled state. Now we want to improve the quality of data to obtain a more precise anwer to the question at which temperature the supposed crossover takes place in NiSi.
DOI: 10.5286/isis.e.rb1920701-1
title: Dynamics and fragility of the binary alloy Ni75Si25

description: There exists mounting evidence that lliquid metals and alloys are showing a crossover in the dynamics from a fluid-like liquid to a more viscous liquid upon cooling deep inside the liquid state, indicating the beginning of solidification. We already performed a pioneering experiment on a NiSi alloy with a levitation setup in the liquid and undercooled state. Now we want to improve the quality of data to obtain a more precise anwer to the question at which temperature the supposed crossover takes place in NiSi.
DOI: 10.5286/isis.e.rb2020007
title: Reliability of Modern Microelectronics in Space and Terrestrial Radiation Environments

description: The objective of this proposal is to perform a series of Single Event Upsets (SEU) characterisations within space weather environments for modern microelectronics i.e. Commercial Off The Shelf SRAM Memories with feature sizes &lt;90 nm which are analogous to devices found in a wide range of systems. Four different boards have been designed and built for positioning within a radiation source beam. A chosen pattern will be written to the SRAMs and then following irradiation the pattern can be compared to determine the number of SEUs which were experienced. These can be compared with results from other radiation sources and the project outcomes should be able to inform the reliability of the chosen technologies to perform critical functions on large scale systems e.g. mobile phone systems or high value assets e.g. avionics, satellites etc.
DOI: 10.6084/m9.figshare.12967148
title: FitnessTracking_DataAuthorizationDocuments

description: COLLECTION ITEM:Data Authorization Documents<br>COLLECTION TITLE:2020_PiccininiEtAl_FitnessTracking_Video<br>ARTICLE (when using this file, please, cite the following article):Filippo Piccinini, Giovanni Martinelli, Antonella Carbonaro, "Accuracy of mobile applications versus wearable devices in long-term step measurements". 2020.<br>DESCRIPTION OF THE FILES IN THE COLLECTION:Authorization documents to process personal data<br>ITEM TYPE (selected from those available):PDF manually signed.<br>MAIN CONTACT FOR THESE FILES:Dr. Filippo Piccinini, PhD, IRST IRCCS Meldola Italy. Email: filippo.piccinini85@gmail.com<br>MAIN AFFILIATIONS FOR THIS PROJECT:1) Istituto Scientifico Romagnolo per lo Studio e la Cura dei Tumori (IRST) IRCCS, Meldola (FC), Italy.2) University of Bologna, Italy.<br>PROJECT DESCRIPTION:The Project focuses on challenges and opportunities today available to improve people’s well-being using IoT self-tracked Health Data. Recent statistics have shown that around 50% of people in developed countries make use of wearable devices to monitor fitness or physical activity (PA). Practically, people can constantly monitor their health status in an unobtrusive way at no cost and the great amount of patient-generated health data today available gives new opportunities to measure life parameters in real time and create a revolution in communication for professionals and patients. All the modern smartphones and fitness trackers are equipped with accelerometers that record accelerations in one or more planes. These data elements are processed into more meaningful variables, such as step counts; time spent in sedentary, light, moderate, or vigorous PA; and flights of stairs climbed. Besides discussing the current limits of the fitness tracking technologies, we supported the usage of wearable devices for mHealth and in general oncology-related analysis about cancer prevention, cancer treatment, and survivorship.<br>PROJECT CATEGORY (selected from those available):Computer Vision<br>PROJECT KEYWORDS (selected from those available):oncology; fitness training; wearable sensors; physical activities; statistical inference.<br>LICENCE (selected from those available):GPL 3.0+
DOI: 10.5286/isis.e.rb2020007-1
title: Reliability of Modern Microelectronics in Space and Terrestrial Radiation Environments

description: The objective of this proposal is to perform a series of Single Event Upsets (SEU) characterisations within space weather environments for modern microelectronics i.e. Commercial Off The Shelf SRAM Memories with feature sizes &lt;90 nm which are analogous to devices found in a wide range of systems. Four different boards have been designed and built for positioning within a radiation source beam. A chosen pattern will be written to the SRAMs and then following irradiation the pattern can be compared to determine the number of SEUs which were experienced. These can be compared with results from other radiation sources and the project outcomes should be able to inform the reliability of the chosen technologies to perform critical functions on large scale systems e.g. mobile phone systems or high value assets e.g. avionics, satellites etc.
DOI: 10.5286/isis.e.rb2010491
title: Tuning magnetic exchange interactions in 'molecular orbital' material Sr7Mn4O15 by high pressure

description: The structure of Sr7Mn4O15 consists of face-sharing MnO6 octahedral dimers, which are potential candidates for formation of “orbital molecules”. The dimers form in strings in the ac-plane which in turn form layers in the a direction, leading to a strong anisotropy in exchange interaction. We have shown this phase to be extremely flexible to substitution by Ca2+ or Ba2+, leading to structural distortions and changes in the magnetic susceptibility. Counterintuitively, substitution by both smaller and larger cations on the Sr sites appear to reduce the ordering temperature of the phase. We aim to use PEARL to investigate the effect of high isotropic pressures on the various exchange pathways within the structure. Several pathways comprise Mn-O-Mn linkages, so neutron diffraction is an appropriate method for identifying positional distortions which may affect the exchange mechanism.
DOI: 10.5286/isis.e.rb2010491-1
title: Tuning magnetic exchange interactions in 'molecular orbital' material Sr7Mn4O15 by high pressure

description: The structure of Sr7Mn4O15 consists of face-sharing MnO6 octahedral dimers, which are potential candidates for formation of “orbital molecules”. The dimers form in strings in the ac-plane which in turn form layers in the a direction, leading to a strong anisotropy in exchange interaction. We have shown this phase to be extremely flexible to substitution by Ca2+ or Ba2+, leading to structural distortions and changes in the magnetic susceptibility. Counterintuitively, substitution by both smaller and larger cations on the Sr sites appear to reduce the ordering temperature of the phase. We aim to use PEARL to investigate the effect of high isotropic pressures on the various exchange pathways within the structure. Several pathways comprise Mn-O-Mn linkages, so neutron diffraction is an appropriate method for identifying positional distortions which may affect the exchange mechanism.
DOI: 10.5286/isis.e.rb2010312
title: The mobility of ions in molten nitrates

description: This proposal is a continuation of a study of molten salts which have a large number of applications, including applications in fuel cells and, in the case of nitrates, as transfer fluids in solar energy capture. Combined diffraction and simulation studies have been used to make specific predictions about the diffusion of sodium in these molten salt liquids and we have used the QENS technique in a previous experiment to establish the diffusion of sodium, taking full advantage of the completely coherent contribution from the carbonate anions and the fully coherent contribution from sodium. In this proposed experiment we will study both sodium and potassium nitrate liquids combining QENS data with our robust diffraction and simulation approach to derive diffusion constants and to evaluate the fragility of these technically important liquids.
DOI: 10.5286/isis.e.rb2010312-1
title: The mobility of ions in molten nitrates

description: This proposal is a continuation of a study of molten salts which have a large number of applications, including applications in fuel cells and, in the case of nitrates, as transfer fluids in solar energy capture. Combined diffraction and simulation studies have been used to make specific predictions about the diffusion of sodium in these molten salt liquids and we have used the QENS technique in a previous experiment to establish the diffusion of sodium, taking full advantage of the completely coherent contribution from the carbonate anions and the fully coherent contribution from sodium. In this proposed experiment we will study both sodium and potassium nitrate liquids combining QENS data with our robust diffraction and simulation approach to derive diffusion constants and to evaluate the fragility of these technically important liquids.
DOI: 10.5286/isis.e.rb2010609
title: The Brillouin Zone Dependent Magnon Cross-section in the Spinel Mn3O4:

description: We propose to use MAPS to measure the full magnetic dispersion in the spinel Mn3O4. This will done in parallel to measurements aimed at understanding the low-energy acoustic phonons. This material undergoes a Jahn Teller distortion at high temperatures and we are planning to search for anomalies in the transverse acoustic phonons. This work has been hampered by a lack of understanding the magnetic response and this proposal is aimed at addressing this. We request 6 days on MAPS.
DOI: 10.5286/isis.e.rb2010609-1
title: The Brillouin Zone Dependent Magnon Cross-section in the Spinel Mn3O4:

description: We propose to use MAPS to measure the full magnetic dispersion in the spinel Mn3O4. This will done in parallel to measurements aimed at understanding the low-energy acoustic phonons. This material undergoes a Jahn Teller distortion at high temperatures and we are planning to search for anomalies in the transverse acoustic phonons. This work has been hampered by a lack of understanding the magnetic response and this proposal is aimed at addressing this. We request 6 days on MAPS.
DOI: 10.5257/iea/co2/2020
title: CO2 Emissions from Fuel Combustion (2020 Edition)

description: In recognition of the fundamental importance of understanding energy-related environmental issues, the IEA CO2 Emissions from Fuel Combustion provides a full analysis of emissions stemming from energy use. This annual publication has become an essential tool for analysts and policy makers in many international fora. The data in this dataset are designed to assist in understanding the evolution of the emissions of CO2 for countries and regions by sector and by fuel. Emissions were calculated using IEA energy databases and the default methods and emission factors from the 2006 IPCC Guidelines for National Greenhouse Gas Inventories.
DOI: 10.5286/isis.e.rb2010020
title: Short-term stress relaxation on cyclic lattice-strains evolution of a new martensitic steel at elevated temperature via in-situ ND

description: A new 9Cr martensitic steel MARBN for next generation power plant is shown to have a superior mechanical performance comparing with existing other 9Cr steels in high temperature applications. The additional short-term dwell period of power plant operations is extremely detrimental to experience creep-fatigue, which has already been regarded as the key failure mechanism of the high temperature components. The proposed experiment aims to gain an in-depth physical understanding on the micro-mechanics strains evolution induced by the short-term stress relaxation on lattice-strains development through Neutron Diffraction, providing more insights of such material in high temperature applications. The proposed in-situ ND measurements will be interpreted using a crystal plasticity finite element model to accounting for direct interaction between a single crystal and its neighbouring crystals.
DOI: 10.5286/isis.e.rb2010020-1
title: Short-term stress relaxation on cyclic lattice-strains evolution of a new martensitic steel at elevated temperature via in-situ ND

description: A new 9Cr martensitic steel MARBN for next generation power plant is shown to have a superior mechanical performance comparing with existing other 9Cr steels in high temperature applications. The additional short-term dwell period of power plant operations is extremely detrimental to experience creep-fatigue, which has already been regarded as the key failure mechanism of the high temperature components. The proposed experiment aims to gain an in-depth physical understanding on the micro-mechanics strains evolution induced by the short-term stress relaxation on lattice-strains development through Neutron Diffraction, providing more insights of such material in high temperature applications. The proposed in-situ ND measurements will be interpreted using a crystal plasticity finite element model to accounting for direct interaction between a single crystal and its neighbouring crystals.
DOI: 10.5286/isis.e.rb2010653-2
title: Solvent Structuring in Ternary Deep Eutectic Solvents

description: Deep eutectic solvents (DES) are formed by the complexation of salts and hydrogen bond donors. They are tuneable and environmentally benign, which makes them favourable as alternative solvents. Our group has used the choline chloride:urea DES in metal oxide synthesis, and we wish to expand this method to using surfactant templating. Although ChCl:urea does not solubilise CTAB surfactants, we have shown that the ternary choline chloride:urea:glycerol DES does support their self-assembly. As such, it is of interest to us for use in templated synthesis and an understanding of the molecular interactions within the system is crucial when designing an appropriate system. Here we wish to study the structure of the choline chloride:urea:glycerol DES at varying urea:glycerol ratios, to probe the molecular interactions and to understand the effect which water addition has upon the DES structure.
DOI: 10.5286/isis.e.rb2010755
title: Photoionisation spectroscopy of negatively charged muonium in GaAs

description: Here we propose a photoexcited muon spin spectroscopy experiment to ionise a negatively charged muonium in GaAs. The muonium state behaves as an acceptor level in GaAs, which is estimated to be 0.9 eV below the conduction band minimum. Its resonant photoionisation is measurable in the MuSR spectrum, as demonstrated by a pilot experiment in ARGUS. The resonant energy allows us to measure the defect level, which is otherwise available only from the Arrhenius activation energy. The measurement is therefore extremely accurate and athermal, and a temperature dependent measurement tells us the shift of the defect level relative to the band edges. This study helps understanding the behaviour of a hydrogen atom in GaAs, which has a wide range of uses in semiconductor industries.
DOI: 10.5286/isis.e.rb2010755-1
title: Photoionisation spectroscopy of negatively charged muonium in GaAs

description: Here we propose a photoexcited muon spin spectroscopy experiment to ionise a negatively charged muonium in GaAs. The muonium state behaves as an acceptor level in GaAs, which is estimated to be 0.9 eV below the conduction band minimum. Its resonant photoionisation is measurable in the MuSR spectrum, as demonstrated by a pilot experiment in ARGUS. The resonant energy allows us to measure the defect level, which is otherwise available only from the Arrhenius activation energy. The measurement is therefore extremely accurate and athermal, and a temperature dependent measurement tells us the shift of the defect level relative to the band edges. This study helps understanding the behaviour of a hydrogen atom in GaAs, which has a wide range of uses in semiconductor industries.
DOI: 10.5286/isis.e.rb2010042
title: Hydrophobic DES and water: intermolecular interactions for tailored solvents

description: In the recent years, the search for green solvents has intensified and Deep Eutectic Solvents (DESs)* have emerged as an alternative to conventional molecular solvents and ionic liquids. The effect of water on the physicochemical properties and on the structural features of DESs is attracting increasing attention, due to practical implications. The high viscosity of DESs may hinder their practical applications for different industrial processes, but the water content can considerably reduce it. The addition of even small amounts of water was found to decrease significantly the viscosity of DESs and this could make some applications, such as food processing, extraction processes, enzyme reactions, pharmaceuticals and cosmetics, much more efficient.This project aims at the understanding of the behaviour of DES with increasing water content.