cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1520477
title: Silicon nanoparticles in thermoelectric material applications

description: In order to meet the UK's commitment to reduce 80% of greenhouse gas emissions by 2050, it is necessary make major advances in efficient, clean and secure energy conversion and use. Thermoelectric materials are of interest because they are able to take advantage of wasted or unutilized heat sources, such as in furnaces, car exhausts, and solar cells. These materials are able to convert a temperature gradient into electrical power, and vice versa without mechanical intervention. We have produced ligated silicon nanoparticles that show great potential as thermoelectric materials. Our measurements up to date are bulk measurements of properties of interest such as electrical conduction.  In order to improve these materials by design, it is essential to know the microscopic conduction rates and mechanisms.  Muons as local probes provide the best way of measuring these important properties.
DOI: 10.5286/isis.e.rb1820185
title: Temperature-induced structural changes of Organic Friction Modifier films at the iron oxide/oil interface

description: Engine oils provide lubrication to moving components in engines, improving vehicle lifespans whilst reducing emissions and fuel consumption by minimising friction. A common class of friction-reducing additives are Organic Friction Modifiers (OFMs) and these molecules are known to associate with metal surfaces. However, the exact mechanism by which OFMs operate has yet to be precisely defined. To understand how these additives function, a novel tribometer rig has been developed which enables neutron reflectivity experiments to be carried out at elevated temperatures and pressures, whilst the surface is sheared. In this set of experiments, we will measure the conformation of glycerol monooleate molecules on iron oxide surfaces at a range of different temperatures whilst under shear.
DOI: 10.5286/isis.e.rb1820186
title: Inelastic Neutron Scattering Study of Phonon Spectra of Thermoelectric Material FeNb1-xTxSb (T = Zr, Ta and Hf)

description: FeNbSb-related compounds are a group of promising  thermoelectric materials. Suppressing the lattice thermal conductivity through different phonon scattering mechanisms could enhance the thermoelectric performance. Previous studies based on the physical transport measurements, it is found that electron-phonon coupling and point defects may play important roles in the suppression of thermal conductivity in FeNb1-xTxSb (T = Zr, Ta and Hf) compounds. In this proposal, we would like to using the inelastic neutron scattering technique to measure the phonon density of states (DOS) in these samples. The comparison of phonon DOSs between these sample, combined with the DFT calculation, could shed light on the phonon scattering mechanisms in these samples.
DOI: 10.5286/isis.e.rb1820195
title: Adsorption of key functionality at the calcite/water interface

description: Calcium carbonate is one of the most abundant minerals at the Earths surface and plays a large role in the chemistry of aquatic environments, as well as being the main constituent of carbonate oil reservoirs which account for over half of the worlds remaining oil reserves. Key to understanding the oil release mechanisms is adsorption of organics at the calcite surface.In this proposal, we will study the adsorption behaviour onto the calcite (10-14) cleavage surface; sodium dodecyl sulfonate (SDS), and 4-octylbenzoic acid as representatives of key functionalities important in oil recovery.
DOI: 10.5286/isis.e.rb1820425
title: Magnetic dispersion and anisotropy in HoFeO3 with spin reorientations

description: HoFeO3 have two magnetic ions, Ho3+ and Fe3+, and three types of magnetic interactions between these two ions. These three interactions play different roles at different temperature ranges. The Fe3+-Fe3+ interaction induce the canted antiferromagnetic arrangement of Fe3+ at room temperature. The Ho3+-Fe3+ interaction cause a phase transition at about 50K. The effective moment of the canted Fe3+ transfer from one axis to another axis. We want to measure the spin wave below and above the transition temperature to study the interaction between the spin of Ho3+ and Fe3+ and the anisotropy in this material.
DOI: 10.5286/isis.e.rb1868012
title: Search for antiferromagnetic coupling in ferromagnetic oxide LSMO-LCMO multilayers

description: La0.7Ca0.3MnO3 (LCMO) and La0.7Sr0.3MnO3 (LSMO) are two oxide ferromagnetic materials. They will be grown on  single crystal  SrTiO3 substrate. This allows a highly textured growth. Such heterostructures show interesting magnetic behaviour at their interfaces.  From macroscopic magnetization measurements we observe that there is a possible anti-ferromagnetic (AFM)  coupling between these two oxide ferromagnets below their Curie temperature (~ 150 K). There is a signature of the possible AFM coupling in magnetization data.  This will be probed using depth-sensitive polarized neutron reflectometry on POLREF instrument at ISIS.
DOI: 10.5286/isis.e.rb1868018
title: Investigations on magnetic structure and spin density wave ordering in two dimensional [Ca2CoO3][CoO2]1.62

description: Amongst the various layered compounds [Ca2CoO3][CoO2]1.62 (CCO) is very intriguing because of its complex crystal and magnetic structure which is yet hidden. The crystal structure of CCO can be described as alternatively stacked two monoclinic layers, rock-salt type Ca2CoO3 layers and CdI2 type CoO2 layers. These two subsystems adopt same lattice constant a, c and and BETA; but different b. Based on dc susceptibility and µSR experiments on the CCO it was reported that spin density wave sets in at ~ 100 K (propagates in the ab plane with moment oscillating along the c axis) which ends at ~ 30 K  and at ~19K ferrimagnetism appears. To the best of our knowledge there is no report on magnetic structure of this compound using neutron diffraction experiment. And it is needful and inevitable to explore the magnetic structure of this compound, which is possible with neutron powder diffraction.
DOI: 10.5286/isis.e.rb1900112
title: Chipir commercial access: Cisco Systems, Inc. in Feb 8-10

description: Chipir commercial access: Cisco Systems, Inc.
DOI: 10.25345/c56s56
title: MassIVE MSV000083655 - FL478 shotgun proteomic salt tolerant responses
title: Shoot and root database of FL478 under salinity stress.
DOI: 10.5286/isis.e.rb1520102
title: Crystal field effects of Pr in antiferromagnetic PrFe2Al8

description: The intermetallic compound PrFe2Al8 consists of network of Al which forms quasi cage-like structure where the Pr and the Fe form chains of atoms along the c-axis. In this structure, Pr3+ ion is situated at the 4g Wyckoff position of the Pbam space group which allows it to have 9 singlet levels (J = 4) and consequently, crystal field effects. A Schottky-like anomaly centered at 100 K was deduced from the analysis of specific heat of PrFe2Al8. The magnetic entropy estimated at 4 K, where PrFe2Al8 presents a sharp magnetic transition owing to Pr-ordering, is equal to R ln(2) suggesting a Pr doublet. We propose to perform time-of-flight inelastic neutron scattering experiments on powder samples of PrFe2Al8 at the instrument MARI in order to estimate the crystal field levels of J = 4 Pr3+ ion in PrFe2Al8.
DOI: 10.5286/isis.e.rb1520134
title: Charged nanogels and their ability to penetrate model lipid membranes

description: Drug delivery through the skin is an important route for administration of therapeutic agents. However, the outermost layer of the skin, the stratum corneum provides a formidable barrier to dermal absorption and penetration of drugs or therapeutic agents. In this proposal we aim to investigate the interaction of charged cross-linked polymeric nanogels with a ceramide lipid multilayers and mixed lipid multilayers of ceramide lipid/cholesterol/fatty acid, designed to mimic the lipid organization of the human skin.
DOI: 10.5286/isis.e.rb1520135
title: Magnetic excitations from two-dimensional interpenetrating Cu framework in Ba2Cu3O4Cl2

description: The Heisenberg antiferromagnet is a well-known model used to describe the magnetic properties of layered and metal-organic Mott insulators which have been explored both experimentally and theoretically. Recent interest has focused on the static and dynamic studies of CFTD - an almost ideal realisation of a 2D Heisenberg antiferromagnet (AFM) on a square lattice. The excitation spectrum of this system was understood in terms of unbinding of spin-waves into spinon pairs at Q = (pi, 0) position. In this proposal we aim to investigate the inelastic spectrum of a closely related Ba2342 spin-1/2 square-lattice framework which consists of coupled AFM spin systems as a testing ground of the new theoretical model. NB This proposal is closely related to one for MAPS: 1520132.
DOI: 10.5286/isis.e.rb1520183
title: Neutron reflection study of spin coat grapheme oxide films

description: We have recently been able to form a thin graphene oxide (GO) film with uniform thickness around 30±2Å from aqueous GO suspensions by spin coating (onto small wafers for ellipsometry and large silicon blocks for neutron reflection). The films have high stability under liquid flush (pure water, THF and 5% Decon) and can thus be used for further physical studies under liquid/solid condition. The aim of this proposal is to make the first NR measurements of the structure and composition of the GO films and validate the fittings from spectroscopic ellipsometry.
DOI: 10.5286/isis.e.rb1520278
title: Magnetic excitation spectrum of the Helimagnetic Spinel compound ZnCr2Se4

description: ZnCr2Se4 is a magnetically frustrated spinel compound with an incommensurate ground state. At low temperatures it displays a spin spiral structure propagating along the (100) direction, and the formation of this state is accompanied by a structural transition, indicating a spin-lattice coupling. Measurements in magnetic field show that this spin-spiral ground state gives way to a separate phase at higher field, which is not well understood and thought to be a spin-nematic state. We propose to map out the magnetic excitation spectrum of this compound in applied magnetic field using the MERLIN spectrometer, and by doing so quantitatively determine the strength of the magnetic interactions, and develop a realistic magnetic Hamiltonian for this material.
DOI: 10.5286/isis.e.rb1520286
title: Spin waves in lightly doped LiGa1-xInxCr4O8

description: Magnetic frustration - the inability to mutually satisfy all magnetic interactions in a system - is the source of many interesting phenomena, including spin liquids and ices. In the spinel oxide materials LiGa1-xInxCr4O8, frustration arises from the corner sharing lattice of size-alternating Cr3+ tetrahedra. This proposal focuses on the composition LiGa0.95In0.05Cr4O8 (x = 0.05), which has been suggested to lie on the other side of a tricritical point from its parent composition (x = 0). Whereas x = 0 reveals considerable magneto-structural complexity at low T, x = 0.05 shows only a single second order magnetic transition. The magnetic structure, however, remains unknown. We aim to determine this structure by neutron diffraction on Wish, and the excitation spectrum by neutron spectroscopy on MARI. We also hope that in doing so, we may shed light on the more complex parent composition.
DOI: 10.5286/isis.e.rb1520329
title: magnetic excitation in square lattice 2D heisenberg antiferromagnet Sr3Fe2O6.5

description: Oxygen doping in Sr3Fe2O7-x is of special interest because it allows us to continuously tunethe magnetic interactions and dimensionality in a strongly correlated system. strongly correlatedsystem. The observed change in the ordered magnetic structure, from the helicalincommensurate (for x=0.0) to the commensurate (with k = (0, 0, 1) for x = 0.5), with oxygen doping confirms a change in the nature of the exchange interactions. In addition, the crystal structure for Sr3Fe2O6.5 changes from orthogonal to tetragonal upon heating to 335 K and the compound does?t order magnetically, if it is quenched to 2 K (from 335 K), which we believe is due to the fact that system is now 2D Heisenberg AFM  (the bridging oxygen connecting the two Fe layers is disordered). We plan to measure the magnetic excitation in this magnetically disordered sate using the MERLIN TOF spectrometer.
DOI: 10.5286/isis.e.rb1520347
title: CO2 adsorption selectivity in microporous MOF's based on Cu2 paddle-wheels

description: Metal-organic framework (MOF) materials are a kind of inorganic-organic hybrid materials with a open modular molecular architecture. Such a modularity opens a plethora of possibilities for promising applications. In particular, they can operate as sieves at a molecular level. In the present proposal we address a MOF which trap Carbon Dioxide molecules but not Methane molecules with an efficiency increasing with pressure. With the help of neutron scattering, we will study the microscopic structural changes in the material while the selective molecular trapping evolves with pressure. By studying the process at different temperatures, we will gain an invaluable information about the microscopic mechanisms responsible of the observed effect.
DOI: 10.5286/isis.e.rb1520355
title: Magnetic interactions in honeycomb iridates Na2IrO3

description: We propose to study the magnetic excitation spectrum of Na2IrO3 with inelastic neutron scattering. Na2IrO3 is a promising candidate to realize Kitaev interaction. By mapping out the whole magnetic dispersion of Na2IrO3, we can quantitatively extract the Kitaev coupling in this system and have a better understanding of the novel physics in iridates. The high flux of MERLIN spectrometer and its new repetition rate multiplication chopper make it an ideal choice of our proposed measurement.
DOI: 10.5286/isis.e.rb1820366
title: High-pressure powder neutron diffraction study in Pd2MnIn

description: Intermetallic ternary full Heuslers have potential spintronic applications, due to a possible link between the mechanisms for magnetism and half-metallicity in these systems. However, the extent of the interaction between the two is still debated. Pd2MnIn is a rare weak antiferromagnet in this family of compounds. Experiments into electrical and thermal transports under pressure have revealed dramatic changes in the electronic properties of Pd2MnIn at 40kbar. A transformation into a ferromagnetic state has been proposed. 5 days in total are requested at the Pearl beamline to carry out high-pressure and low-temperature powder neutron diffraction. The desired pressure and temperature ranges for the experiments are 0  100kbar and 100  290K, which will provide insights into the connection between the possible changes in magnetism and the electronic anomalies in this material.
DOI: 10.5286/isis.e.rb1870035
title: Nano-Sized Effect on Magnetic Properties of La2CuO4

description: Nano-sized effect of ferromagnetic and antiferromagnetic materials has much attention in the recent years due to their unique properties. In the last beam time, we got 3 days to starting this research and we successfully measured our two samples. The suppression of TN was observed by reducing particle size but the saturated internal field is same with that of bulk-LCO, indicating magnetic structure of Cu spins which appear in nano-LCO is same with that observed in bulk-LCO. We have confirmed that the suppression of TN is not caused by oxygen deficiencies which introduce carriers into the system. Those results have never been observed in the past. Therefore, we want to continue our investigation on magnetic properties of nano-LCO with some difference particle sizes. Besides that,we want to observe Sr 5% doped (La1.95Sr0.05)CuO4 because hole doping is main key issue of the high-Tc cuprate.
DOI: 10.5286/isis.e.rb1910340
title: Thermodynamics of Non-Uniform Compression in H-Bonded Molecular Solids

description: Equations of state (EoSs) show how the thermodynamic variables of temperature, pressure and volume are inter-related.  The ideal gas law, PV = nRT, is an example of an EoS which is used as a simple but effective model to explain the properties of gases.  EoSs can also be applied to solids, where they can be used to show how energy changes when the solid experiences changes in its environment.  Previous work has shown that these data are a sensitive check of the accuracy of computational simulations. In this beamtime we will derive the EoSs of two H-bonded solids, the amino acid alanine and the analgesic paracetamol, which both show unusual trends in their unit cell dimensions on compression which imply that subtle structural modifications occur which alter the way the solid accommodates the increasing pressure.
DOI: 10.5286/isis.e.rb1910348
title: The quest for fully hydrogen-ordered ice XIV

description: Water ice displays a remarkably complex phase diagram containing pairs of hydrogen-ordered / disordered phases. Ice XII is a hydrogen-disordered phase and ice XIV is its hydrogen-ordered counterpart, which was discovered by our group. A recent article has claimed that ice XIV can be fully hydrogen-ordered. However, this claim turned out to be the result of an integration error. In fact, only 60% ordering has been achieved so far. Our group has recently investigated the metastability regions of ices XII/XIV towards high pressures. Consistent with our earlier finding that the ice XII to ice XIV transition goes along with a volume decrease, we have found that increasing the pressure facilitates the ordering of ice XIV. We now plan to form ice XIV at the highest possible pressures using the Paris Edinburgh cell with the ultimate goal of preparing the fully ordered ice XIV after all.
DOI: 10.5286/isis.e.rb1910461
title: The role of step-size on the pressure phase diagram of BiFeO3

description: bismuth ferrite (BFO) remains the most studied multiferroic as a result of room temperature electric and magnetic ordering. However, real world applications are limited due to high leakage currents, high capacitances and a complex magnetic order; undesirable properties for device applications. One way to improve these properties is to apply chemical pressure by adding dopant atoms. Understanding the BFO phase diagram as a function of pressure gives us a potential route to predict what properties or structures may be realised at certain levels of applied chemical pressure. We have been investigating the behaviour of BFO with applied pressure at room temperature and have observed a complex series of phase transitions. At low applied pressure we see anomolous behaviour which may arise due to small pressure steps. We wish to check this by collecting data with a larger pressure step.
DOI: 10.5286/isis.e.rb1910496
title: Layered Honeycomb Frameworks for Potassium-ion Battery Applications

description: Lithium (Li) ion batteries is the most common battery technology but lately also potassium (K) batteries are being considered. One reason is that the Li-reserves are limited and if with increasing use of electric vehicles, we might have to reconsider the Li-ion technology. From a material point of view, K is heavier than Li, hence, K-ion batteries are assumed to be bulkier and more suitable for stationary applications e.g. energy storage from solar panels and wind turbines. However, K has also many advantages over Li. K is e.g. one of the most abundant elements in nature, which makes them &gt;10 times cheaper than Li. Further, K-batteries are further though to be better from a safety and environment/health point of view. In this research project we will study a series of new series of recently discovered K-ion battery materials that initially have shown very promising performance.
DOI: 10.5286/isis.e.rb1910626
title: Discovery of slow magnetic fluctuations in the nematic phase of FeSe1-xSx

description: In most unconventional superconductors, the importance of antiferromagnetic fluctuations is widely acknowledged. In addition, cuprate and iron-pnictide superconductors often exhibit unidirectional (nematic) electronic correlations, whose fluctuations may also play a key role for electron pairing. In these materials, however, such nematic correlations are intertwined with antiferromagnetic or charge orders, preventing the identification of the essential role of nematic fluctuations. FeSe1-xSx is an ideal candidate system to search for such magnetic fluctuations which, unlike other iron-based families, do not exhibit competing or coexisting orders. Here we propose to perform a combination of zero-field and longitudinal-field µSR measurements on single crystals of FeSe1-xSx (x = 0, 0.14, 0.17, 0.2) and investigate magnetic instabilities which arise in the nematic states of these materials.
DOI: 10.5286/isis.e.rb1400010
title: Copy of: In-situ Characterization of Residual Stress Evolution of Components formed by Direct Metal Laser Sintering

description: This proposal aims (1) to characterize the residual stress in Titanium alloys prepared by direct metal laser sintering, an additive layer manufacturing process; (2) to correlate the interaction between materials properties, i.e. residual thermal stress, phase transformation stress and the process parameters of the additive manufacturing process variables,  e.g. sample geometry and heat treatment parameters.Please note: This proposal was revised according to the discussions with ENGIN-X beamline scientist Dr Joe Kelleher and the feedback received from our unsuccessful application for Round 2014-1 call. We hope it can be considered for beamline time through the rapid access route.
DOI: 10.5286/isis.e.rb1510273
title: Understanding the superconductivity in a designer high entropy alloy

description: Understanding superconductivity has been a goal of condensed matter scientists since its discovery. However, there has been a continual discovery of new materials that challenge our understanding, requiring further examination of their properties and the underlying mechanisms. Recently, superconductivity was found in a high-entropy alloy, namely: Ta34Nb33Hf8Zr14Ti11. Whilst the number of high entropy alloys (HEAs) is almost unlimited, this is the first example which shows superconductivity.
DOI: 10.5286/isis.e.rb1510499
title: Low field µSR studies of radiation chemistry and free radical reactions by non-thermal microwave effects in liquids

description: Microwave (MW) assisted chemical reactions are of interest as a green, energy efficient alternative to conventional thermal heating for chemical processes. MW irradiation interacts with the chemical reactants in two broad ways. The first is through thermal heating, whereby MW energy is absorbed and converted to thermal energy. The second is through non-thermal microwave effects (NTME), whereby the observed changes in chemical reactions cannot be rationalized by the thermal heating. Our proposal seeks to study these NTME effects.
DOI: 10.5286/isis.e.rb1510569
title: Microwave µSR studies of solids: electron-hole separation by non-thermal microwave effects and hyperfine interactions

description: In this proposal we are planning to study free radicals (molecules with unpaired electrons) and interactions of charged species in solids under microwave irradiation. The study has two potential applications: 1) a new method to characterize the free radicals in solids very accurately. Such studies will be important to develop new material for a wide variety of high tech industries.  2) use of microwave field to enhance the properties of nanomaterial for waste treatment.