cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1800013
title: Investigation of lithium diffusion in N-doped Li3+xVO4-xNx ceramics using µSR

description: We wish to complete muon spectroscopic experiments on materials from a ceramic system of interest for possible solid electrolyte applications in lithium-ion battery devices: N-doped Li3+xVO4-xNx. Muon spectroscopy will provide us with a means of determining the key parameters of Li diffusion (Li-ion diffusion rates and activation energies) in our paramagnetic ion-containing materials. Similar data cannot be obtained using any other technique. We request 2 days of beamtime on the EMU beamline as a continuation project to complete promising work that could not be satisfactorily completed during a previous visit.
DOI: 10.5286/isis.e.rb1800033
title: Cross-calibration of the ChipIR facility for SEE studies and evaluation for potential high-energy accelerator applications

description: The neutron radiation field at the ChipIR facility will be evaluated through calibrated SRAM based detectors, with the objective of obtaining information related to the high-energy (&gt;10 MeV) and thermal energy neutron fluxes, as well as the hardness of the spectrum. In addition, the use of the beam for possible board level qualification in the high-energy accelerator context will be assessed.
DOI: 10.5286/isis.e.rb1800061
title: Chipir commercial access: CISCO evaluation tests

description: Chipir commercial access: CISCO evaluation tests
DOI: 10.5286/isis.e.rb1810095
title: Studying dynamics of water on graphene by quasi-elastic neutron scattering

description: Graphene-based materials have unique structural and physiochemical properties, and have been exhibited as efficient working substances to filter salts in saline water. Understanding the microscopic nature of how water molecules move on the graphene surface is of both of scientific and practical importance, and unfortunately this knowledge is largely lacking. Neutron scattering is the appropriate tool to study the dynamics of surface water, and has been used extensively to study the effect of confinement in porous silica and carbon nanotubes,as well as hydration water on protein surfaces. Here, we propose to use neutron spectroscopy to study how water moves on the surface of graphene.
DOI: 10.5286/isis.e.rb1810202
title: QENS studies of the ammines of magnesium chloride

description: The ammoniates of simple salts, such as MgX2 (X=Cl, Br, I), known as ammines, have attracted much interest recently as they offer potential as both hydrogen and ammonia storage materials, amongst other applications. The magnesium halide ammines can accommodate up to 6 equivalents of ammonia (ca. 50 wt%) as [Mg(NH3)n]Cl2 (0 ≤ n ≤ 6) However, there is, as yet, no understanding of the mechanism of ammonia binding and transport through the solid and only qualitative understanding of how and why ammonia binds to the metal centers. Quasi-elastic neutron scattering (QENS) is frequently used to study diffusion of species in solids and allows experimental diffusion coefficients to be extracted via modelling the transport mechanisms. Here we wish to use the OSIRIS QENS to investigate the mobility of ammonia in MgCl2 ammines.
DOI: 10.5286/isis.e.rb1810551
title: Dynamics in Flexible Organic Ferroelectrics Using High-throughput QENS

description: Flexible functional materials are important candidates of current research, because of their potential applications in plastic electronics. Organic ferroelectrics are one of such materials having applications in data and storage devices. Since flexibility and ferroelectricity are rare combinations, these materials are promising candidates  of designing new ferroelectrics. Dynamics of hydrogen has important contributions in the performance of this class of materials. To build on our previous investigations, in this proposal I propose to investigate dynamics of a range of trisubstituted halogenated imidazoles, which are reported to have ferroelectricity.  Using high throughput techniques, the correlation of proton dynamics and ferroelectricity will be determined  to search for finger print motions of ferroelectricity and to generate useful knowledge of ferroelectricity in organic materials
DOI: 10.5286/isis.e.rb1810709
title: Possible presence of charge density wave in V3Si superconductor

description: The superconductivity is a very important quantum phenomenon occurring in many materials. However the microscopic origin of it is still not completely understood and is one of the most significant challenges in condensed matter physics. Recently the coexistence of superconductivity and charge- and/or spin-density waves attracted a renewed interest since it is believed to be fundamental to our understanding behind the mechanism of superconductivity.Here we plan to perform a detailed muSR study on a single crystal of type-II V3Si superconductor in order to investigate the possible presence of a charge density wave ordering phenomenon occurring in the normal state well above the superconducting transition. This study is complementary to nuclear magnetic resonance results that we have recently obtained, which are compatible with the presence of a charge density wave below 200 K.
DOI: 10.5286/isis.e.rb1720007
title: Investigating the Structure of Lithium Doped Metal-Organic Framework Glasses

description: Zeolitic imidazolate frameworks (ZIFs), a sub-family of MOFs, have recently been observed to melt, with the liquid surprisingly retaining the chemical composition of the crystalline phase. ZIF-62 [Zn(Im)1.75(bIm)0.25] (Im = imidazolate C3H3N2- and bIm = benzimidazolate C7H5N2-) has been observed to melt at 410ºC. Heating with LiBr (melting point ca. 550ºC) to 552ºC and rapid cooling yields a glass with identical chemical composition to the crystalline material, albeit doped with Li+ and Br- ions. The product is of current interest for lithium conduction, and we wish to investigate the coordination environment of the dopants added in the melt phase using total scattering measurements. Nuclear magnetic resonance spectroscopy experiments carried out confirm the presence of two Li environments, one of which is mobile. A complimentary proposal for PDF work at Diamond has also been submitted.
DOI: 10.5286/isis.e.rb1720270
title: PNR determination of magnetic interface states in ultrathin FePt/FeRh films

description: We propose to use polarized neutron reflectivity (PNR) to investigate the structural and magnetic properties of thin (&lt; 10nm) exchange coupled FePt/FeRh films. FePt/FeRh is an artificial multifunctional material that responses to both heat and magnetic fields due to the antiferromagnetic to ferromagnetic phase transition that occurs in FeRh at around 100°C. Exchange coupled FePt/FeRh films are of particular interest as data storage media for heat assisted magnetic recording (HAMR) as they offer the potential to reduce the heat load need for recording which is a key industry challenge. Our objective in this experiment is to investigate the interplay and exchange coupling between the FeRh and FePt layers vs temperature and hence undercover the rich physics that occurs at the interface between these two materials which is key to developing future applications.
DOI: 10.5286/isis.e.rb1720349
title: Understanding the interfacial behaviour of bile salts to better engineer lipid emulsions: small-angle neutron scattering measurements

description: The current project aims to 1) elucidate how bile salts (BS) structure influences their interfacial behaviour and role during lipolysis; 2) to study the potential ability of specific food emulsifiers to inhibit BS adsorption, and thus lipase adsorption, at the lipid/water interface. Small-angle neutron scattering beam time is requested here to investigate BS self-assembly in the bulk and to characterise the structure of emulsion droplet interfaces stabilised by food emulsifiers, after interaction with BS and lipase/co-lipase. Two structurally different BS showing contrasting interfacial behaviours have been selected in this work. Three methylcelluloses are chosen as emulsifiers due to their demonstrated cholesterol-lowering capacity. BS adsorption at droplets interfaces will be studied and equilibrium structures after interaction with lipase measured, as a function of BS type and amount.
DOI: 10.5286/isis.e.rb1810286
title: Polymer brush profiles using off-specular reflection from the walls of trenches

description: Nature frequently uses charged, weak-polyelectrolyte brushes at interfaces to control surface function and properties; surface wetting, lubrication, to limit deposition of macromolecules (polysaccharides, proteins) onto natural surfaces, or to aid in surface wetting in the cartilage in joints or the surfaces of lung tissue. Charge controls adsorption of molecules, enables attachment of specific molecules and for living cell surfaces greatly influences binding on these surfaces. Synthetic polymer brushes are important as interfaces that bridge materials and biological environments such as stimuli responsive surfaces, drug delivery, surfaces for cell growth and for bio-separation. This proposal will use the unique features of neutrons to see the shape of the brush molecules by looking at right angles to the surface and pushing the information off the directly scattered beam,
DOI: 10.5286/isis.e.rb1810361
title: In Situ Measurement of the Spin Seebeck Effect

description: The spin Seebeck effect is a newly discovered phenomenon that if harnessed, could result in a significant improvement of the efficiency of thermoelectric energy generators. Spin polarised neutron reflectivity will provide us with complementary measurements that enable determination of the spin polarisation of the film as well as surface sensitive magnetic ordering and disorder at the interface. This is especially important as the influence of the interface (i.e. the magnetic proximity effect) is still not well understood. We propose using PNR in conjunction with an adapted sample environment in order to investigate the magnetic structure (as a function of depth), whilst measuring the generated spin Seebeck voltage for samples with varying degrees of spin polarisation.
DOI: 10.5286/isis.e.rb1810754
title: Alkali metal anions in solution  Ion pairing and aggregation as a survival strategy

description: Alkali metals are soluble in organic media when a macrocyclic complexing agent is used in order to drive the dissolution process by formation of complexed metal cations and alkali metal anions, a highly reducing and unusual species. Our previous spectroscopic investigations however suggest that the species exists as a paired form and in the form of higher aggregates in solution. If this is indeed the case, it would have large consequences for understanding, further development and application of alkali metal solutions. The instrument NIMROD provides the unique opportunity to investigate ion pairing and aggregation due to its high resolution in the range of low scattering angle Q.
DOI: 10.5286/isis.e.rb1810809
title: Muon spin relaxation study of a triangular-lattice NaYbO2: a quantum spin liquid candidate

description: Quantum spin liquid (QSL) is a novel state of matter where the spins are highly entangled with one another but fluctuate strongly down to zero temperature.  It may be associated with exotic forms of superconductivity and related to the application of quantum computing. Here, we propose a new promising QSL candidate NaYbO2. It features a perfect triangular lattice composed of Yb3+ (S=1/2) ions. The perfect triangular lattice and ternary chemical composition of NaYbO2 make it unique as compared to other proposed QSL candidates, in which site disorder, magnetic defects and spatial anisotropy are often present. We intend to identify the ground state of NaYbO2 using muonSR.
DOI: 10.5286/isis.e.rb1869002
title: Studying the helimagnetic order and precursor phenomena in MnSi under pressure

description: The archetype chiral system MnSi belongs to the family of non-centrosymmetric cubic helimagnets where a helimagnetic ordering exists below the critical temperature of 29 K. This helimagnetic ordering is preceeded by a precursor region where SANS shows isotropic diffuse scattering. Under field, Skyrmion lattices, which are an exotic magnetic ordering is stabilized in a region just below the critical temperature. Neutron diffraction studies have shown that the helical order is suppressed for pressures exceeding a critical pressure of 14 kbar. For higher pressures, a non-fermi liquid phase is observed in which the scattering is diffuse and maximum at the [110] crystallographic directions. We propose to study MnSi with SANS under pressure to monitor the evolution of both the helimagnetic order and the precursor phenomena. in addition, we wish to study the phase diagram under magnetic fields.
DOI: 10.5286/isis.e.rb1870020
title: Magnetic Properties of Nano-Size La2CuO4

description: The grain size dependence of magnetic properties of the mother material of the high-Tc cuprate, La2CuO4 (LCO), is proposed to study by muSR. Although LCO shows an antiferromagnetic (AF) ordered state below about 270 K, the AF state could change or disappear when the grain size of LCO becomes to be in the nano-scale order, like a couple of ten nano-meters. Controlling the grain size of LCO , we plan to clarify whether the AF state really disappears or not in the nano-scale LCO.
DOI: 10.5286/isis.e.rb1670545
title: A Static Magnetic Order in Nano-size Au clusters probed by mSR
DOI: 10.5286/isis.e.rb1720152
title: Nuclear and magnetic structure determination of Pb4MnReO13 and Pb2MnReO6

description: Lead based oxides are wildly used in material science in order to obtain non-centrosymmetric structures that eventually lead to polar or piezoelectric distortion, which coupled with magnetic cation, may induce multiferroicity. In this proposal we suggest a detailed crystallographic study of the magnetic and crystal structures of two compounds in the Pb-Mn-Re-O system: the piezoelectric and 1D magnet Pb4MnRe2O13 and the double perovskite system Pb2MnReO6 that shows a commensurate nuclear modulation at room temperature and ferrimagnetism below 100 K. The proposed experiment will provides high quality diffraction data that will allow the refinement of the complex crystallographic structure of these two compounds as well as the low temperature magnetic ordering. The obtained results will be used to relate the physical properties with the nuclear and magnetic structures.
DOI: 10.5286/isis.e.rb1720305
title: Magnetic order in two pyrochlore iridates

description: Iridium oxides are of interest because many novel magnetic phases have been predicted in crystals, depending on the geometry of the crystal lattice. Our proposal concerns two such iridium oxides, both having a crystal structure known as the pyrochlore structure, in which the Ir ions form networks of connected tetrahedra. Our aim is to use neutron diffraction to determine the magnetic structures that occurs in these materials below 140 K. One possible type of order has the iridium magnetic moments pointing either all in or all out of the tetrahedral, and if this is present then it is possible that iridates in this family could exhibit a novel topological phase called a Weyl semi-metal.
DOI: 10.5286/isis.e.rb1720314
title: An assessment of the short-range order in the Ti-Al alloy system with variation in Al concentration and aging

description: Owing to their low density and high strength, titanium alloys are extensively used in the aerospace industry. As the amount of aluminium in the alloy is increased, it is known to undergo a change in the structure, from a completely random state to an ordered state. This transition is known to radically affect the physical properties of the material, in particular its strength. Prior to the formation of this ordered state there is a noticeable change in the properties that has been explained by the formation of locally ordered regions, although overall the material is still considered to be disordered. Through this experiment we hope to characterise the nature of this locally ordered material, essential for understanding the structure-property relationships of these industrially important alloys.
DOI: 10.5286/isis.e.rb1720490
title: In-situ neutron powder diffraction studies of non-stoichiometry in Na battery cathode materials

description: We request 3 days on POLARIS to study the detailed crystal structure of a sodium battery cathode material that is currently under consideration for use in commercial sodium batteries. This material will be studied in conjunction with two related prototypical layered sodium metal oxides. Na-ion batteries are becoming of increasing importance because they offer a more sustainable, cost-effective and safer energy storage solution than Li-ion batteries. Previously considered to be substantially inferior in performance to Li-ion batteries, Na-ion batteries have now reached higher energy densities than commercial lithium iron phosphate batteries at operating temperatures between -20C and +60C. This proposal will provide definitive information about the stoichiometry, and, in particular, the oxygen deficiency in this promising sodium cathode system.
DOI: 10.5286/isis.e.rb1810003
title: Phase transitions in melamine at high pressure

description: Melamine is a common organic molecule based on a six-sided ring; this unit typically connects with itself or other organic species to form layered crystal structures, which then exhibit strongly anisotropic properties. For example, the materials may be very strong in the plane of the layers but extremely weak perpendicular to the layers. To date, high-pressure studies of melamine designed to probe this anisotropy have produced contradictory results. Many of them see evidence of a change in crystal structure - a phase transition - at comparatively low pressures of 1 GPa, others see no changes at all. Unfortunately, the data used to arrive at these conclusions are often quite poor.My objective is to collect high-quality data from melamine up to 6-7 GPa in order to identify any high-pressure polymorphs and to better characterise the elastic anisotropy.
DOI: 10.5286/isis.e.rb1810309
title: A determination of CO2 molecule sites for CO2 adsorbed K2x/3Cu(Fe(CN)6)2/3 with x = 0 and 1 at various temperatures and CO2 gas pressures.

description: Prussian blue analogues (PBAs) have attracted broad attention for various applications because they are relatively cheap, environmentally friendly and can easily be scaled-up. One such application is as CO2 gas adsorbers. They have been found to have CO2 capacities of ca. 3.0 mmol/g, which is in close range with other well established CO2 adsorbents. We have studied in detail the PBA copper hexacyanoferrate (CuHCF) with and without inserted K.  The aim of this study is to investigate: (i) at what sites are CO2 molecules adsorbed in CuHCF?, (ii) is the site preference dependent on the loading of CO2, i.e., the amount of CO2 adsorbed, (iii) how does the site preference depend on temperature, (IV) is the site preference dependent on the presence of K, (V) is it possible to determine diffusion paths for CO2 using Reverse Monte Carlo (RMC) modelling, (VI) at what sites are N2 molecules locate
DOI: 10.5286/isis.e.rb1810524
title: New BiCh2-based layered superconductor La1-xCexOBiSSe: A puzzling system in connection with the unconventional superconductivity

description: Layered superconductors have been attracted substantial attention since the discovery of the cuprate and Fe-based high-Tc superconductors due to the diversity in their crystal structures and the fascinating superconducting states. We have synthesized a new BiCh2-based superconductor system, La1-xCexOBiSSe. Zero resistivity and clear diamagnetic susceptibility were obtained for x = 0.2-0.6, implying the emergence of bulk superconductivity. Dome-shaped superconductivity phase diagram with the Tc of 3.1 K for x = 0.3-0.5 was established. We propose here to investigate the emergence of bulk superconductivity via mixed valence of Ce ions in layered bismuth-chalcogenide systems using ZF and TF MUSR measurements on the MUSR spectrometer.  The results in this work are expected to enhance the understanding of the mechanisms of superconductivity in the BiCh2-based superconductor family.
DOI: 10.5286/isis.e.rb1810775
title: Spectroscopy of muon centres in n-type silicon carbide

description: We propose a series of measurements to complete the previous direct spectroscopic measurements of the Muonium defect energy levels in Silicon Carbide (SiC; RB110134). We will measure an n-type sample where the negative muonium (Mu-) species is expected, and ionise it with a tuneable laser to measure the acceptor level relative to the conduction band. The temperature dependence of the level may be followed directly.
DOI: 10.5286/isis.e.rb1810787
title: Magnetic phase diagram of single crystal multiferroic NaFeGe2O6

description: Multiferroics of spin origin, for which magnetic long-range order and electric polarization occur simultaneously, have attracted considerable interest. The strong coupling between magnetism and ferroelectricity, a greatly desirable asset for potential applications in spintronics, is often found in a material with complex spin structure. Knowledge of the magnetic structure is required to predict and exploit novel multiferroic materials via symmetry analysis based on some underlying mechanisms of multiferroicity put forward in theoretical works. Neutron diffraction is a wonderful technique to uncover these complex magnetic structures. We intend to reveal the magnetic structure of single crystal NaFeGe2O6 under magnetic field.
DOI: 10.5286/isis.e.rb1720384
title: Steroidal drug containing dodecyl sulphate monolayers: effect of counterion

description: An number of potential drugs, including steroidal drugs are extremely water insoluble, limiting their commercialisation as medicines. Solubilisation of drug in surfactant micelles is a means of increasing the apparent aqueous solubility of a drug and ensuring exploitation as a medicine. Micelles formed by the anionic surfactant, sodium dodecyl sulphate, have been shown to be an excellent solubiliser of steroidal drug. Changing the counterion has been shown to influence solubilisation in a micelle with lithium increasing solubilisation and ammonium decreasing solubilisation.  We aim to determine the effect of the counterion ion on the stiochiommetry and the nature of incorporation of steroidal drug into monolayers formed by different dodecyl sulphate surfactants, namely those containing either Li or NH4 counterion, using neutron reflectivity in combination with contrast variation.
DOI: 10.5286/isis.e.rb1720395
title: In-situ Hydrogenation of Calcium Nitride

description: Nitrides of alkali and alkaline earth metals are an interesting set of materials specifically for their potential in reversible hydrogen storage. However, many fundamental challenges remain. This proposal looks to explore the interaction of intermediate phases during the hydrogenation (exposure to H2 gas) of a pellet of Ca3N2. A previous experiment at RAL (RB 1410181) showed that when a pellet of CaH2 was nitrided (exposed to N2 gas) the conductivity increased drastically. We are interested if a similar result will occur from the inverse reaction. The intermediate phases between calcium nitride and calcium nitride hydride (Ca2NH) play a significant role in reducing the materials resistance to ion conduction and also to the reversible storage of hydrogen. We will use Polaris to investigate these intermediate phases by step exposure of the pellet to hydrogen gas followed by long diffractio
DOI: 10.5286/isis.e.rb1800102
title: Investigating an Anomaly in Quasielastic Neutron Scattering Measurements

description: An unexpected result with another neutron scattering technique has lead us to think that a substance we thought was in a pore throughout the experiment has moved into the pore during the course of the experiment. We wish to check with Nimrod the effect on the elastic scattering of loading the pore. This will help to interpret our previous result and has implications for future measurements.