cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1820054
title: Microscopic conduction study on phenylacetylene capped silicon nanoparticles in thermoelectric applications

description: In order to reduce global greenhouse gas emissions, and to meet the UK's commitment of a reduction of 80% by 2050, it is necessary to make major advances in efficient, clean and secure energy conversion and use. Thermoelectric materials are able to convert a temperature gradient from wasted or unutilized heat sources into electrical power. Therefore, thermoelectric materials have become an area of great interest. Phenylacetylene functionalized Silicon nanoparticles (SiNPs) are showing potential to provide highly efficient thermoelectric materials. Knowledge of the microscopic conduction rates and mechanisms of these materials would be of much use in our attempts to improve these materials by design. Muon spectroscopy appears to be an elegant method of measuring these microscopic properties. This experiment is to study our thermoelectric SiNPs with Muon spectroscopy.
DOI: 10.5286/isis.e.rb1820137
title: Generation of 3D-networks by mixing inexpensive HC-polymers, amphiphiles, and cross-linkers as a practical CO2-thickener

description: For the last two decades, many polymers have been tested to increase CO2 viscosity for enhanced oil recovery using CO2 (CO2-EOR). Unfortunately, conventional HC-polymers were inactive for viscosity enhancements due to their poor solubility in supercritical CO2 (scCO2). Recent SANS studies (RB1610015 and RB1720361) found FC-HC amphiphiles to form HC-core/FC-shell aggregates, which could also solubilize custom-made CO2-philic HC-polymers in scCO2. The aggregates were elongated with adding the HC-polymers, or also introducing hydrogen bonding groups. To develop inexpensive HC-polymer-based CO2-thickners for CO2-EOR, this proposed SANS experiment will examine formation of 3D-structured polymer networks in scCO2 by mixing cheap and conventional HC-polymers, amphiphiles, and cross-linkers. It will provide important information and enable the development of inexpensive CO2-thickeners.
DOI: 10.5286/isis.e.rb1820342
title: Investigation of lattice dynamics in promising solid sodium electrolytes

description: All solid-state sodium ion batteries are potential low-cost alternatives to lithium ion batteries, especially for static and large-scale energy storage systems. The shift from liquid to solid electrolytes also promises major gains in battery safety. The critical challenge for all solid-state batteries is the lack of high conductivity electrolytes. In order to improve existing materials and develop new ones, we require not only a detailed knowledge of the structural properties of these materials, but also of the conduction mechanisms at the atomic scale. The proposed experiment aims to investigate the lattice dynamics in two promising solid-state electrolyte systems (layered Na2M2TeO6 (M = Zn, Mg) with 2D diffusion; and glass ceramic 3D Na ion conductors based on Na3PS4) to elucidate the influence of different doping strategies onto bonding and dynamics in these compounds.
DOI: 10.5286/isis.e.rb1820423
title: Investigation of La2NiO3F2 and defluorinted phases with Ruddlesden-Popper type structure

description: Ruddlesden-Popper type oxyfluorides are promising materials for the use as electrode materials in fluoride ion batteries. With the insertion and removal of fluoride ions, magnetic properties can change drastically, turning such compounds from antiferromagnets to ferromagnets. In this proposal we will investigate the crystallographic and magnetic structures of La2NiO3F2 and its defluorinated phases La2NiO3F2-xHy. By this we aim to understand how the anion ordering in such compounds can affect the magnetic properties, which will facilitate a deeper understanding of the ferromagnetic properties observed for the defluorionated compounds La2NiO3F2-xHy.
DOI: 10.5286/isis.e.rb1820449
title: The electronic structures of the ground-state open-shell singlet di-radical materials

description: The di-radical (DR) that has an open-shell ground-state singlet, and an excited-state triplet, with a rather small energy gap between, has shown its outstanding performance in achieving room temperature spintronic devices, due to the fact that the triplet which is critical to the device performance can be thermally activated. In order to understand the molecular spin, microscopic study on the electronic structures of the DR molecule materials can provide significant insight. Since muons can probe the excited electronic structure of the close-shell molecule, we plan to use the same method with DR molecules to obtain microscopic insight that conventional magnetic resonance techniques may not give. Prior to study on the excited state of the DR, we propose here to obtain a standard ground state study with muon spectroscopy first, to promote efficiency and reliability of the investigation.
DOI: 10.5286/isis.e.rb1820543
title: Magnetic excitations of the square lattice ferrimagnet CrCl2(pyz)2

description: We propose a short LET experiment to complete our study of the spin wave excitation in ferrimagnetic and conducting CrCl2(pyz)2. Our existing data, obtained through the XPress access program, is of low statistical quality, and does not allow us to distinguish magnetic scattering beyond Q=0.5 Å-1. The primary aim of the proposed experiment is to be able to conclude whether this surprising observation is purely a matter of the counting statistics in the XPress data, or if strong spin wave damping - akin to the coupling of itinerant magnons to Stoner excitations in metals - is at play. We note that the proposed experiment is only feasible on LET since it requires low-angle detectors in addition to high flux at low incident energies.
DOI: 10.5286/isis.e.rb1820556
title: Tuneable Creation of Reservoir Structures at the Air/Water Interface

description: Recently we have exploited non-equilibrium effects in the preparation of super-efficient polyelectrolyte/surfactant films at the air/water interface spread from the dissociation of liquid crystalline aggregates as they come into contact with pure water. The ability to form extended reservoir structures in these films upon repeated spreading or surface area compression is dependent on the charge/structure of the aggregates used in their preparation. Such tuneable formation of reservoirs in a fluid film has not be demonstrated before, but the structures of the films remain a mystery. Here we propose a short set of measurements using the INTER reflectometer for the first time to gain valuable insight into missing structural aspects of the reservoirs. The focus is the versatile system PEI/SDS as a function of the charge of the aggregates used and the charge density of the polyelectrolyte.
DOI: 10.5286/isis.e.rb1870018
title: Continuing to Study the Nature of the Magnetic Transition in 1:2 TCNQ Salts

description: We have conducted a decent amount of work on a 1:1 and 1:2 TCNQ salts where we seek to identify whether the magnetic transition shows a universality. So far measurements on a 1:1 salt have shown the system behaves like a 3D material, despite being dominated by a 1D type structure. Our current work on a 1:2 salt has shown something completely different, where although also being 1D, the muon spin relaxation data suggest a 2D type behaviour. We are looking to extend this to MEM(TCNQ)2, another 1:2 salt, to see whether we get the same answer on studying the magnetic transition.
DOI: 10.5286/isis.e.rb1870027
title: Probing magnetic ordering using muon spin rotation in a kagomé material: Li9Cr3P8O29

description: Geometrically frustrated magnetic systems provide a plethora of opportunities to stabilize exotic ground state manifolds and have been at the forefront of current experimental and theoretical research because of their ability to display unconventional magnetism and excitations. We are investigating the Kagome material Li9Cr3P8O29 using bulk properties, which reveals  interesting magnetic properties. The heat capacity exhibits a peak near 2.3 K indicating long range magnetic ground state. Here we aim to address the nature of ground state properties of the  disorder free magnetically ordered 2D (Cr3+ S=3/2) Kagome material Li9Cr3P8O29  by utilizing muon spin rotation and relaxation as a probe. We therefore proposed to carry out musr measurements on the ARGUS  spectrometer.
DOI: 10.5286/isis.e.rb1520219
title: Neutron scattering measurements of internal stress in the GdBCO second generation HTS tapes

description: Second generation high temperature superconducting (2G HTS) tapes are one of the most rapidly developing branches of superconducting materials. The GdBaCuO tapes are more promising for applications because its low strain sensitivity of critical current. Internal stresses in materials have a considerable effect on their physical properties. The mechanical properties of materials can be different at cryogenic temperatures. Knowing mechanical properties of the tape at temperatures below 70K is crucial for most applications. We are proposing neutron scattering measurements of internal stress in 2G HTS tape under load at cryogenic temperatures on ENGIN-X using recently developed Cryo Stress Rig II. Internal stress can be measured in combination with simultaneous critical current measurements. In this proposal we tried to take into account all comments and changes suggested by the Panel.
DOI: 10.5286/isis.e.rb1610266
title: Adsorption of Monoclonal Antibodies at the Solid/liquid Interface

description: We propose to use neutron reflection to study the interfacial adsorption of 2 novel bispecific therapeutic antibodies at the silicon oxide/water interface. To enpower each of these antibodies with 2 functional targets, the antibodies have been bioengineered with additional domains and as a result, their structural stability may alter. Current ellipsometric studies have revealed different dynamic adsorption and greater adsorbed amounts at equilibration. The aim of the neutron study is to reveal structural details against concentration, pH and ionic strength and how these factors affect their extent of desorption.
DOI: 10.5286/isis.e.rb1610294
title: Investigation of the structure and formation of  alphasynuclein-lipid  co-aggregates

description: Alpha-synuclein is tan intrinsically disordered protein whose aggregates are an hallmark of Parkinson's Disease (PD). Alpha-syn is known to associate with lipid membranes and their interaction and aggregation is believed to be important for the PD pathology. Indeed, the process of amyloid formation has been associated with cell injury through mechanisms that are not understood.The overall goal of this project is a detailed understanding of the amyloid aggregation in the presence of lipid membranes, and molecular level characterization of amyloid-lipid co-aggregates. The use of isotope labels will enable us to detect structural information of the protein-lipids interactions. Focus will be on the amyloid protein alpha-syn together with model lipid membranes with different compositions in order to understand the role of the lipid composition and underlying the driving forces.
DOI: 10.5286/isis.e.rb1610297
title: In situ quantification of the micro mechanisms during tensile deformation for an outstanding high entropy alloy via neutron diffraction

description: Recently, high entropy alloy (HEA) concept has been studied as a means of achieving excellent properties of metallic alloys. We have developed an HEA alloy through powder metallurgy, which possesses both high strength and large ductility (as large as 70% at room temperature). However, currently the knowledge at the microstructural scale concerning the underpinning mechanisms during deformation are limited, especially with respect to the interaction between local strain hardening and grain defects (e.g. dislocation substructures and twins). In order to determine these, we proposed to use neutron diffraction to quantify the evolution of the lattice strain in situ during tensile deformation. The results in concert with ex situ electron microscopic characterizations currently undergoing, will provide a pathway for designing HEAs with both enhanced strength and superior ductility.
DOI: 10.5286/isis.e.rb1610374
title: Local magnetic order in spin-gapped Cu2PO4OH

description: The mineral Libethenite, Cu2PO4OH, is an ideal system in which to study low dimensional quantum magnetism. The spin-gapped nature of this material has been the subject of theoretical and experimental studies. Further experimental work is needed to understand this system and allow more reliable theoretical understanding of these low-dimensional spin-gap materials, with potential applications in quantum computing, to be developed. Our recent inelastic neutron scattering experiments (RB1510449) have given some insight into the magnetic behaviour of Cu2PO4OH and theoretical work on related systems has provided in a model that could be used to describe the magnetic behaviour of Cu2PO4OH. We propose muSR experiments to investigate the possibility of long range magnetic order at very low temperatures and to study the nature of local magnetic order.
DOI: 10.5286/isis.e.rb1610400
title: Quantum Coherence in Nano-Cofined Water

description: Earlier work on Vesuvio  has shown that the ground state of nano confined water is qualitatively different from that of bulk water, with protons delocalized over distances of .2-.3Å. It has been conjectured that this is due to  correlated motion of protons in the nano-confined state. An experiment on Vesuvio on single walled nanotubes (SWNT) with D2O, for which the correlations should be suppressed, is consistent with this conjecture. However, the companion experiment on double walled carbon nanotubes (DWNT) failed because of difficulty with the sample. There is a large difference in the temperature dependence of the momentum distributions between SWNT and DWNT, and the SWNT result was marginal because of contamination by H2O. We therefore propose to complete the experiment by measuring the momentum distribution of D2O in DWNT.
DOI: 10.5286/isis.e.rb1610419
title: Chain anisotropy in nanofibre production

description: Fibres with submicron diameters are commonly formed by two techniques, electrospinning , and centrifugal force spinning; in both cases polymer solutions are subjected to forces, which result in highly elongated "nano"fibres.  In this proposal we seek time to study the relationship between the forces applied, the fibre diameter and the conformation of the polymer backbone.  If the backbone is ordered by the applied force,  this may be translated to macroscopic properties such as mechanical strength. Force spinning orients polymer chains less as a result of the plasticising effect of solvent on the polystyrene fibres, but results for electrospinning are masked by pores. In this study we wish to develop a model for the polymer chain orientation using polymethyl methacrylate as an alternative system to eliminate these complicating factors and reveal means of improving polymer orientation.
DOI: 10.5286/isis.e.rb1610421
title: Li-ion diffusion studies of Li-containing garnets prepared by microwave-assisted low temperature routes

description: The implementation of safe high voltage Li-ion batteries, capable of powering demanding technologies such as electric vehicles, is precluded by the current use of organic polymer electrolytes which have been implicated as the cause of fires in operating battery cells.  A safer alternative to these are solid state garnet electrolytes, which display impressive ionic conductivites and can, in fact, act as heat sinks.  However, the Li-ion diffusion properties in this particular class of materials are very poorly understood due to grain boundary effects in bulk measurements and existing problems with reliable synthetic routes.  We have successfully prepared two phase pure Li-stuffed garnets which display great promise as solid electrolytes and we now request the beamtime at the EMU beamline necessary to determine the Li-ion diffusion characteristics of these materials using muon spectroscopy.
DOI: 10.5286/isis.e.rb1610469
title: Anisotropic Li+ diffusion in the cathode material LiFePO4

description: LiFePO4 is cathode material for Li ion batteries. One of the key functional properties is the Li-ion diffusion. Theoretical calculations showed that Li diffusion along the [010] channels is the favored path, and this was later visualized using neutron diffraction. Mu+SR is the only technique which succeeded to measure the ionic diffusion on the atomic scale (and not through a macroscopic sample) in the relevant temperature range. This was done on powder samples. Now we would like to address the anisotropy using single crystals. To fully decompose the components 3 orthogonal directions has to be measured. Alternatively, anisotropy can be shown already using 2 orientations. The limited sample amount results in longer counting times, therefore we apply for 8 days at EMU to measure direction dependent Li diffusion in LiFePO4 single crystals in the temperature range of 100-500 K.
DOI: 10.5286/isis.e.rb1620229
title: Heusler Alloy Thin Films for Spin Seebeck Devices

description: The spin Seebeck effect (SSE) is a relatively new phenomenon that could be harnessed for waste heat recovery. Its advantages lie with a new device architecture (compared to conventional thermoelectric generators) that would not only reduce the cost of fabrication but also enable separation of the key drivers of device efficiency: electric and thermal conductivity of certain active components. We are exploring Co2MnSi as a potential material for SSE based devices, where in previous PNR we observed indications of a magnetic dead layer (within the bulk of the film) that could have a dramatic effect on the functionality of any potential device. We propose to explore this feature further whilst also characterising basic device components. This will enable determination of isotropically structured spin generating material, in the hope of creating a 100% spin polarised half metal.
DOI: 10.5286/isis.e.rb1670539
title: Study of frustrated antifferomagnet states by mSR
DOI: 10.5286/isis.e.rb1710003
title: In Situ Study of Damage and Fracture of Nuclear Graphite at Elevated Temperature

description: The materials of interest include some nuclear graphite used in the core of current operating UK reactors and also some new designs for next generation of reactors worldwide. In both cases, these graphite components are located in the core of a reactor as a structure component, to moderate the fast neutrons and provide channel for the control rods during shutting down procedure. They cannot be replaced therefore limiting the lifetime of nuclear power plants. Our study using neutron diffraction is to obtain the lattice deformation of these graphite when working at high temperature, for example, 650C for the current UK reactors. The lattice deformation will then be correlated to the bulk deformation and fracture to gain understanding on the evaluation of the integrity of the component.
DOI: 10.5286/isis.e.rb1710073
title: Diffuse scattering from doped zinc oxide

description: Zinc oxide is an important wide band gap semiconductor material used in a diverse range of industrial applications, many of which require both n-type and p-type components. It can easily be doped n-type, but it is difficult to dope p-type. We have measured the structural diffuse scattering and inelastic scattering from as-grown nominally stoichiometric, oxidised and reduced zinc oxide using neutron Laue diffraction on SXD. We now propose to study the defect structures and lattice dynamics of n-type and p-type doped single crystals of zinc oxide. Given our sensitivity to diffuse structural scattering, we expect to shed light on the effect of defect structures on the electrical transport properties. We shall also determine how doping affects the phonon dispersion and thermal transport properties.
DOI: 10.5286/isis.e.rb1710195
title: Understanding the structural change of caseinate under mild heat and shear

description: Producing meat analogue instead of real meat is an effective way to reduce carbon emission and improve animal welfare. Calcium caseinate is a prominent candidate for making a meat analogue. It was shown that spray dried calcium caseinate (SCaCas) combined with transglutaminase could form fibrous structure under mild heat and shear while roller dried calcium caseinate (RCaCas) cannot. Calcium caseinate is rheomorphic and contains four protein fractions. These four protein fractions can associate into micelle-like structure. Studying how shear and temperature affects the association behaviour of dilute caseinate solution can improve our understanding on the differences between RCaCas and SCaCas, so as to understand why SCaCas forms fibre and RCaCas don't. SANS combined with real-time shearing process is expected to be the right tool for this problem.
DOI: 10.5286/isis.e.rb1710254
title: Probing spin-fluctuations in the ordered phase of (Nd1-xCax)2Ir2O7 by means of µSR study

description: Nd2Ir2O7 stands out as a fascinating system among pyrochlore iridates because of its potential for realizing a new topological semimetal state which its emergence strongly depend on the magnetic ordering. The all-in/all-out type ordering has been discussed to realize in Nd2Ir2O7 where a reduction in the Nd magnetic moment was argued due to a strong Nd-fluctuations. In the case of hole-doped Nd2Ir2O7, our preliminary ZF-µSR observed a suppression in the onset of static ordering and an enhancement of internal field at low temperature by increasing holes-concentration. However, at a certain holes-concentration, no static ordering and no decoupling behavior were observed even by applying a maximum magnetic field up to 4900 G. In order to investigate spin dynamics in this system, we would like to propose LF-µSR under a higher magnetic field and over a wide time-window.
DOI: 10.5286/isis.e.rb1710367
title: Depth profiling in PbMg1/3Nb2/3O3 and PFe1/2Nb1/2O3 using muons:

description: The proposal requests time to nondestructively analyse the composition of two relaxor ferroelectrics as a function of depth.  Both PMN and PFN are disordered lead based ferroelectrics that show a skin effect where the ~100 microns on the surface have different structural properties than the bulk.  The proposal aims to either establish or rule out the possibility of chemical inhomogeneity.
DOI: 10.5286/isis.e.rb1710506
title: Feasibility studies of neutron protein crystallography at ISIS using perdeuterated rubredoxin

description: We propose to use instruments SXD and WISH to carry out a detailed feasibility study of neutron protein crystallography at ISIS. Since one of the major impediments to protein crystallography with neutrons is hydrogen incoherent scattering, we will focus on small protein systems that are perdeuterated. The overall aim of the the study will be to identify the optimal beam conditioning (wavelength spread and brilliance) and timeslicing for small proteins and to develop an understanding of the demands necessary for larger protein systems where time-of-flight instruments could provide significant advantages.