cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010481
title: Magnetic correlations in the locally not-quite-fluorite nor pyrochlore rare-earth zirconates RE2Zr2O7

description: The rare-earth pyrochlore oxides A2B2O7 have been extensively studied due to the observation of unconventional electronic and magnetic ground-states due to geometric frustration.The heavier-rare earth zirconates (RE2Zr2O7, with Z &gt; Gd) crystallise in a more-disordered defect-fluorite structure, when probed by diffraction methods. Recently, local and short-range-order probes have identified a smooth-continuous increase in disorder when moving through the zirconate series from pyrochlore to defect-fluorite members. We plan to use GEM to generate neutron-PDFs for detailed interrogation of the local structure evolution through the series, as well to measure magnetic-PDFs to investigate magnetic correlations in the spin-glass ground-states of the Er2Zr2O7 and Yb2Zr2O7. Previously, the magnetic properties of this end of the zirconate series has been significantly under-studied.
DOI: 10.5286/isis.e.rb2010481-1
title: Magnetic correlations in the locally not-quite-fluorite nor pyrochlore rare-earth zirconates RE2Zr2O7

description: The rare-earth pyrochlore oxides A2B2O7 have been extensively studied due to the observation of unconventional electronic and magnetic ground-states due to geometric frustration.The heavier-rare earth zirconates (RE2Zr2O7, with Z &gt; Gd) crystallise in a more-disordered defect-fluorite structure, when probed by diffraction methods. Recently, local and short-range-order probes have identified a smooth-continuous increase in disorder when moving through the zirconate series from pyrochlore to defect-fluorite members. We plan to use GEM to generate neutron-PDFs for detailed interrogation of the local structure evolution through the series, as well to measure magnetic-PDFs to investigate magnetic correlations in the spin-glass ground-states of the Er2Zr2O7 and Yb2Zr2O7. Previously, the magnetic properties of this end of the zirconate series has been significantly under-studied.
DOI: 10.5286/isis.e.rb2010149
title: Magnetic ground state of a highly two-dimensional spin-1/2 antiferromagnet

description: The physics of low-dimensional magnets is starkly different to that of more traditional isotropic materials. Novel phase transitions and exotic phenomena are expected in highly 1D and 2D magnets. The theory of such systems was the subject of the 2016 Nobel Prize in Physics. However, creating real low-dimensional materials in which these theories can be tested has proven to be difficult. Progress in this area has been made in recent years by looking at materials in which the magnetic ions are held apart by molecular bridges. We have recently characterised one of the most 2D spin-1/2 antiferromagnets yet discovered. We propose to determine the magnetic ground state of this system, a challenging prospect due to the low-spin density and small ordered moment expected in very 2D magnets. However, if this experiment is possible anywhere, it is at the WISH instrument at ISIS.
DOI: 10.5286/isis.e.rb2010149-1
title: Magnetic ground state of a highly two-dimensional spin-1/2 antiferromagnet

description: The physics of low-dimensional magnets is starkly different to that of more traditional isotropic materials. Novel phase transitions and exotic phenomena are expected in highly 1D and 2D magnets. The theory of such systems was the subject of the 2016 Nobel Prize in Physics. However, creating real low-dimensional materials in which these theories can be tested has proven to be difficult. Progress in this area has been made in recent years by looking at materials in which the magnetic ions are held apart by molecular bridges. We have recently characterised one of the most 2D spin-1/2 antiferromagnets yet discovered. We propose to determine the magnetic ground state of this system, a challenging prospect due to the low-spin density and small ordered moment expected in very 2D magnets. However, if this experiment is possible anywhere, it is at the WISH instrument at ISIS.
DOI: 10.5286/isis.e.rb2010099
title: Dendritic Misorientation and Characterisation using Time of Flight 3D Energy Resolved Imaging and Diffraction

description: The purpose of this proposal is to investigate a novel Neutron inspection technique used to determine the angle and intensity of dendrite misorientation within a Rolls-Royce CMSX-4 Ni-base Superalloy, High Pressure Trent 700 turbine blade by Time of Flight 3D energy resolved imaging and diffraction. Dendrite misorientation is intolerable because grain boundaries drastically reduce creep performance and cannot be removed by heat treatment processes. It is therefore important to be able to characterise the level of misorientation, within such a safety critical component. The new technique will offer insights into misorientation development in Single Crystal castings, improve the accuracy and reliability of defect prediction models and improve on current turbine blade NDT defect characterisation techniques.
DOI: 10.25416/edgehill.12957863.v1
title: Linking your uploads to existing Academic and Personal Spaces

description: This resource outlines how you can link and direct others to your existing academic, institutional and personal spaces to help to maximise your research profile. <br>For example by simply adding a page into each presentation you upload or indeed adding in details here in the presentation abstract. <br><b>Specifically it covers how to:</b><br> • Link your Figshare profile to your institutional spaces, personal website or blog • Link Figshare and signpost others to external spaces and social media • Link to your ORCID ID
DOI: 10.5286/isis.e.rb2010099-1
title: Dendritic Misorientation and Characterisation using Time of Flight 3D Energy Resolved Imaging and Diffraction

description: The purpose of this proposal is to investigate a novel Neutron inspection technique used to determine the angle and intensity of dendrite misorientation within a Rolls-Royce CMSX-4 Ni-base Superalloy, High Pressure Trent 700 turbine blade by Time of Flight 3D energy resolved imaging and diffraction. Dendrite misorientation is intolerable because grain boundaries drastically reduce creep performance and cannot be removed by heat treatment processes. It is therefore important to be able to characterise the level of misorientation, within such a safety critical component. The new technique will offer insights into misorientation development in Single Crystal castings, improve the accuracy and reliability of defect prediction models and improve on current turbine blade NDT defect characterisation techniques.
DOI: 10.5286/isis.e.rb2010239
title: Li-ion mobility in potential battery electrode materials

description: Lithium ion batteries are a key modern technology which have enabled a revolution in personal electronics and other portable systems. They are now being actively developed for automotive power systems and the Faraday Instutution in the UK is leading new research into all aspects of the challenging scale-up. The FutureCat initiative aims to develop new Li-ion cathode materials for testing in batteries. One new set of compounds are oxide chalcogenides with the high Li-ion mobilities needed for high power applications. In this experiment we plan to use muon spectroscopy to quantitatively determine the Li-ion mobilities in exemplar compounds in order to guide the choice of further synthetic targets.
DOI: 10.5286/isis.e.rb2010239-1
title: Li-ion mobility in potential battery electrode materials

description: Lithium ion batteries are a key modern technology which have enabled a revolution in personal electronics and other portable systems. They are now being actively developed for automotive power systems and the Faraday Instutution in the UK is leading new research into all aspects of the challenging scale-up. The FutureCat initiative aims to develop new Li-ion cathode materials for testing in batteries. One new set of compounds are oxide chalcogenides with the high Li-ion mobilities needed for high power applications. In this experiment we plan to use muon spectroscopy to quantitatively determine the Li-ion mobilities in exemplar compounds in order to guide the choice of further synthetic targets.
DOI: 10.5286/isis.e.rb2010659
title: Polymer and surfactant adsorption to silica surfaces from non-aqueous dispersions

description: Lubricants are complex formulated products that serve many disparate functions during use, and accordingly, several additives are present. Interactions between these additives can lead to unexpected and undesired behaviour when formulating next generation products. The present work focuses on the identification and characterisation of a model system to provide a mechanistic understanding of such competitive interactions between the additives, both in solution and at the interfaces present in the formulation. Lubricants reduce friction and prevent wear between surfaces in relative motion, perform heat removal, add corrosion protection, transfer of power, provide a liquid seal at moving contacts and suspend/remove wear particles. Lubricant oils are therefore highly complex formulated materials constituted of a base oil (70 to 90%) and additives (30 to 10%).
DOI: 10.5678/lcrs/dat.395
title: 2017_PRETIP_precipitation_retrieval_Tibetan_Plateau
title: 2017_PRETIP

description: This data set contains the precipitation retrieval covering the Tibetan Plateau for the time period 2017/05 - 2017/09. A description of the retrieval which consists of two steps (precipitation area delineation, precipitation rates retrieval) can be found in<br> Kolbe, C.; Thies, B.; Egli, S.; Lehnert, L.; Schulz, M. & Bendix, J. (2019): Precipitation Retrieval over the Tibetan Plateau from the Geostationary Orbit — Part 1 : Precipitation Area Delineation with Elektro-L2 and Insat-3D. Remote Sensing 11(19), 2302 and<br> Kolbe, C.; Thies, B.; Turini, N.; Liu, Z. & Bendix, J. (2020): Precipitation Retrieval over the Tibetan Plateau from the Geostationary Orbit—Part 2: Precipitation Rates with Elektro-L2 and Insat-3D. Remote Sensing 12(13), 2114.
description: Temporal gaps which derive from the lack of Elektro-L2 or Insat-3D satellite data are filled with NA.
DOI: 10.5286/isis.e.rb2010659-1
title: Polymer and surfactant adsorption to silica surfaces from non-aqueous dispersions

description: Lubricants are complex formulated products that serve many disparate functions during use, and accordingly, several additives are present. Interactions between these additives can lead to unexpected and undesired behaviour when formulating next generation products. The present work focuses on the identification and characterisation of a model system to provide a mechanistic understanding of such competitive interactions between the additives, both in solution and at the interfaces present in the formulation. Lubricants reduce friction and prevent wear between surfaces in relative motion, perform heat removal, add corrosion protection, transfer of power, provide a liquid seal at moving contacts and suspend/remove wear particles. Lubricant oils are therefore highly complex formulated materials constituted of a base oil (70 to 90%) and additives (30 to 10%).
DOI: 10.5286/isis.e.rb2010659-2
title: Polymer and surfactant adsorption to silica surfaces from non-aqueous dispersions

description: Lubricants are complex formulated products that serve many disparate functions during use, and accordingly, several additives are present. Interactions between these additives can lead to unexpected and undesired behaviour when formulating next generation products. The present work focuses on the identification and characterisation of a model system to provide a mechanistic understanding of such competitive interactions between the additives, both in solution and at the interfaces present in the formulation. Lubricants reduce friction and prevent wear between surfaces in relative motion, perform heat removal, add corrosion protection, transfer of power, provide a liquid seal at moving contacts and suspend/remove wear particles. Lubricant oils are therefore highly complex formulated materials constituted of a base oil (70 to 90%) and additives (30 to 10%).
DOI: 10.5286/isis.e.rb2010313
title: Phase separation and magnetic polarons in colossal magnetoresistance systems

description: A ubiquitous characteristic of colossal magnetoresistance (CMR) materials with competing interactions is a rich phase diagram, in which many phases exhibit intrinsic (i.e. electronic, and nonchemical) phase separation, often leading to transitions that are percolative in nature. Indeed, nanoscale electronic phase separation is thought to play a crucial role in the emergence of CMR, as well as in the suppression of critical dynamics in quantum phase transitions. Here we propose muSR measurements on two systems exhibiting a CMR effect: HgCr2Se4 and Eu5In2Sb6. Both materials show magnetic transitions coupled to electronic properties that vary over an extended temperature regime, which are likely to reflect phase separation, slow magnetic dynamics and the possibility of emergent magnetic polaron states.
DOI: 10.5286/isis.e.rb2010313-1
title: Phase separation and magnetic polarons in colossal magnetoresistance systems

description: A ubiquitous characteristic of colossal magnetoresistance (CMR) materials with competing interactions is a rich phase diagram, in which many phases exhibit intrinsic (i.e. electronic, and nonchemical) phase separation, often leading to transitions that are percolative in nature. Indeed, nanoscale electronic phase separation is thought to play a crucial role in the emergence of CMR, as well as in the suppression of critical dynamics in quantum phase transitions. Here we propose muSR measurements on two systems exhibiting a CMR effect: HgCr2Se4 and Eu5In2Sb6. Both materials show magnetic transitions coupled to electronic properties that vary over an extended temperature regime, which are likely to reflect phase separation, slow magnetic dynamics and the possibility of emergent magnetic polaron states.
DOI: 10.5286/isis.e.rb2010027
title: Mystery of Uranium Oxidation Configuration in Hexagonal U3O8

description: Uranium oxides are important materials in the nuclear fuel cycle. Triuranium octoxide (U3O8) is the most stable of these compounds, and it happens to display a peculiar effect: the uranium atoms are separated into two sites: two U(V) and one U(VI) oxidation state. But at elevated temperature the crystal structure has only one U site. How are 16 electrons distributed across the three identical uranium sites? The mystery may involve the subtle rearrangement of oxygen atoms, the influence of lattice vibrations, and a fast "electron-hopping" mechanism. Using high-resolution neutron diffraction, we hope to track subtle movements of oxygen atoms in U3O8, which we hope will provide some guidance about the interplay of these effects.
DOI: 10.5286/isis.e.rb2010027-1
title: Mystery of Uranium Oxidation Configuration in Hexagonal U3O8

description: Uranium oxides are important materials in the nuclear fuel cycle. Triuranium octoxide (U3O8) is the most stable of these compounds, and it happens to display a peculiar effect: the uranium atoms are separated into two sites: two U(V) and one U(VI) oxidation state. But at elevated temperature the crystal structure has only one U site. How are 16 electrons distributed across the three identical uranium sites? The mystery may involve the subtle rearrangement of oxygen atoms, the influence of lattice vibrations, and a fast "electron-hopping" mechanism. Using high-resolution neutron diffraction, we hope to track subtle movements of oxygen atoms in U3O8, which we hope will provide some guidance about the interplay of these effects.
DOI: 10.5286/isis.e.rb2010665
title: Excitations of the spin-1/2 antiferromagnetic XXZ chain SrCo2V2O8 in a transverse magnetic field

description: The one-dimensional spin-1/2 antiferromagnetic with Heisenberg-Ising (XXZ) anisotropy is a great model system to explore fundamental physics. In zero applied magnetic field it hosts spinon excitations which are confined into pairs by interchain coupling. In a longitudinal magnetic field the long-range magnetic order is destroyed and it enters a critical regime known as a Tomonaga-Luttinger Liquid. These features have been explored using the compounds BaCo2V2O8 and SrCo2V2O8. In these compounds a transverse magnetic field has unexpectedly also been found to suppress the antiferromagnetic order and induce a quantum critical regime, this occurs due to an induced staggered magnetic field which arises from the complex g-tensor of the magnetic Co2+ ions. Here we propose to explore the spectrum of SrCo2V2O8 for several transverse magnetic fields through this quantum phase transition.
DOI: 10.5286/isis.e.rb2010665-1
title: Excitations of the spin-1/2 antiferromagnetic XXZ chain SrCo2V2O8 in a transverse magnetic field

description: The one-dimensional spin-1/2 antiferromagnetic with Heisenberg-Ising (XXZ) anisotropy is a great model system to explore fundamental physics. In zero applied magnetic field it hosts spinon excitations which are confined into pairs by interchain coupling. In a longitudinal magnetic field the long-range magnetic order is destroyed and it enters a critical regime known as a Tomonaga-Luttinger Liquid. These features have been explored using the compounds BaCo2V2O8 and SrCo2V2O8. In these compounds a transverse magnetic field has unexpectedly also been found to suppress the antiferromagnetic order and induce a quantum critical regime, this occurs due to an induced staggered magnetic field which arises from the complex g-tensor of the magnetic Co2+ ions. Here we propose to explore the spectrum of SrCo2V2O8 for several transverse magnetic fields through this quantum phase transition.
DOI: 10.5286/isis.e.rb2010806
title: Vibrational Spectroscopy of Organic Multi-ferroics Using Inelastic Neutron Scattering Spectroscopy

description: Organic multiferroics are important functional materials because of their potential applications as a material to address global challenges. These materials have potential applications in energy storage and in data storage in computers. In these types of materials ferroelectricity can be tuned with applied magnetic fields. Since flexibility and multi-ferroicity rare combinations, organic multi-ferroics are candidates of intense research promising of designing new materials fit for the purpose. The dynamics of protons are considered as the key mechanisms of the functionality of these materials. In this proposal I propose to investigate temperature dependent INS spectroscopy of an organic multiferroic material, TTF-BA, to understand the effect of dynamics in multiferroicic properties. These experiments are complemented with QENS experiments and DFT based lattice dynamics simulations.
DOI: 10.5286/isis.e.rb2010806-1
title: Vibrational Spectroscopy of Organic Multi-ferroics Using Inelastic Neutron Scattering Spectroscopy

description: Organic multiferroics are important functional materials because of their potential applications as a material to address global challenges. These materials have potential applications in energy storage and in data storage in computers. In these types of materials ferroelectricity can be tuned with applied magnetic fields. Since flexibility and multi-ferroicity rare combinations, organic multi-ferroics are candidates of intense research promising of designing new materials fit for the purpose. The dynamics of protons are considered as the key mechanisms of the functionality of these materials. In this proposal I propose to investigate temperature dependent INS spectroscopy of an organic multiferroic material, TTF-BA, to understand the effect of dynamics in multiferroicic properties. These experiments are complemented with QENS experiments and DFT based lattice dynamics simulations.
DOI: 10.6084/m9.figshare.12965303.v1
title: R0221_20180421a_videos

description: Rat 0221, skilled reaching data collected in Leventhal laboratory by Alexandra Bova
DOI: 10.5286/isis.e.rb2010654
title: Topologies of hydrogen-bond networks: Amorphous Ammonia Dihydrate

description: Ammonia and water are the two most ubiquitous hydrogen-bonded substances, being widespread both on Earth and in extraterrestrial planetary environments such as the Titan, the satellite of Saturn. Understanding their behaviour is crucial both from a fundamental point of view, as the simplest H-bonded binary mixture as well as from a practical one, being the most readily available general-use solvents in chemical manufacturing. Despite their importance and the central place they occupy in physical, chemical and material science, the water-ammonia mixtures are still not fully understood. Part of the difficulty consists in them easily forming amorphous solids not crystalline ones when cooled, whose structures are yet unknown. In this proposal we would like to determine the structure of the ambient pressure amorphous phase and so elucidate the mechanism behind H-bonding in ammonia-water.
DOI: 10.5286/isis.e.rb2010654-1
title: Topologies of hydrogen-bond networks: Amorphous Ammonia Dihydrate

description: Ammonia and water are the two most ubiquitous hydrogen-bonded substances, being widespread both on Earth and in extraterrestrial planetary environments such as the Titan, the satellite of Saturn. Understanding their behaviour is crucial both from a fundamental point of view, as the simplest H-bonded binary mixture as well as from a practical one, being the most readily available general-use solvents in chemical manufacturing. Despite their importance and the central place they occupy in physical, chemical and material science, the water-ammonia mixtures are still not fully understood. Part of the difficulty consists in them easily forming amorphous solids not crystalline ones when cooled, whose structures are yet unknown. In this proposal we would like to determine the structure of the ambient pressure amorphous phase and so elucidate the mechanism behind H-bonding in ammonia-water.
DOI: 10.5286/isis.e.rb2010431
title: Reciprocal space imaging of acoustic and optical phonons in methylammonium lead iodide

description: Hybrid organic-inorganic metal halide perovskites (HOIPs) are a class of materials that have potential use as high-efficiency solar absorbers. These materials can be synthesized with a small organic cation on the A site; greatly affecting the lattice dynamics. Currently, there are no published dispersions of the optical phonons, which have been proposed to affect carrier thermalization due to formation of a "hot phonon bottleneck". Theoretical studies have proposed that the optical phonons lose their wavevector dependence to become diffusons. We propose to use the multi-rep rate option of the MERLIN instrument to map out the acoustic and optical phonons in methylammonium lead iodide with high energy resolution. This will help elucidate the character of the optical phonons and their effect on optoelectronic properties.
DOI: 10.5286/isis.e.rb2010431-1
title: Reciprocal space imaging of acoustic and optical phonons in methylammonium lead iodide

description: Hybrid organic-inorganic metal halide perovskites (HOIPs) are a class of materials that have potential use as high-efficiency solar absorbers. These materials can be synthesized with a small organic cation on the A site; greatly affecting the lattice dynamics. Currently, there are no published dispersions of the optical phonons, which have been proposed to affect carrier thermalization due to formation of a "hot phonon bottleneck". Theoretical studies have proposed that the optical phonons lose their wavevector dependence to become diffusons. We propose to use the multi-rep rate option of the MERLIN instrument to map out the acoustic and optical phonons in methylammonium lead iodide with high energy resolution. This will help elucidate the character of the optical phonons and their effect on optoelectronic properties.