cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1720301
title: Rhamnolipid / non-ionic surfactant interactions with pH and temperature

description: Rhamnolipids (RhLs) are biosurfactants that are highly surface active. Recent work by Liley elucidated interesting behaviour between C12E8, a common non-ionic surfactant, and RhLs: the RhLs suppress temperature effects on the non-ionic between 10 and 30˚C. This suggests a larger change in the free energy of mixing between the two species. The proposed experiment aims to understand the interplay of co-adsorption between RhLs and non-ionic surfactants over a range of pH values and temperatures. Neutron Reflectivity, coupled with isotopic substitution, allows adsorption of the individual components within the binary systems to be determined experimentally. These results will be compared to theoretical predictions based on the pseudophase model. The neutron data will allow an accurate calculation of the free energy of mixing for the system and help understand RhL behaviour.
DOI: 10.5286/isis.e.rb1720358
title: Unravelling the solution structures and stability of industrially-important antibodies with and without glycans

description: The glycosylation of glycoproteins is a major determinant of their stability, and glycans also affect their aggregatibility (precipitation). An understanding of this is essential for improving manufacturing processes. Our extensive background in glycosylation and scattering (see below) indicates that we are ideally positioned to investigate antibody glycan structures in detail. We will compare both glycosylated and deglycosylated IgG antibodies using a combination of neutron and X-ray scattering, ultracentrifugation and modelling. The two overall aims of this project are to (i) identify how the solution properties of glycans affect antibody manufacture and (ii) develop a pipeline of new methods for the rapid atomistic modelling of antibody conformations based on neutron and X-ray scattering fits in order to evaluate the manufacturability of variously glycosylated antibodies.
DOI: 10.5286/isis.e.rb1720515
title: NR characterization of aquaporin-containing silica-reinforced supported PC bilayers for energy-efficientand selective water filtration

description: Despite the abundancy of sea water there are 663 million people that lack access to safe drinking water. This is due to excessive energy consumption and hence cost coupled to desalination of sea water into drinking water. We use biomimicry to develop an energy-efficient desalination filter which is based on aquaporins, water-channeling proteins that transport water across the cell membrane. We have stabilized aquaporins in lipid bilayers supported on mesoporous silica and are now aiming for improving the system in terms of robustness. We are doing so by introducing silica in the bilayer surrounding the aquaporins. We aim to study the composition of silicified aquaporin-containing supported PC bilayers using NR to find if silicification alters the conformation of aquaporins, which possess both transmembrane domains and extracellular domains.
DOI: 10.5286/isis.e.rb1800020
title: Structure of deuterated fullerides

description: Hydrogen stands out as a promising alternative to fossil fuels, being able to yield clean energy when combined with oxygen, with an efficiency that is about three times higher than Diesel. Alkali cluster intercalated fullerides have recently shown promising performances as hydrogen storage materials, being able to reversible absorb hydrogen with the formation of hydrogenated fullerene. During the hydrogenation process, the lattice undergoes an anomalous expansion, due to the chemical absorption of hydrogen atoms on the C60 external surface. At the end of the process, although a high overall symmetry is mantained for the cell (bcc or fcc), the C60 molecular geometry is far from the initial icosahedral symmetry and still unknown. With this proposal, we seek to investigate the hydrogenated fullerene molecule as well as testing the new RMCProfile (v7) software.
DOI: 10.5286/isis.e.rb1810121
title: Ordering phenomena in the new cerium compound Ce2Rh2Ga

description: Cerium and ytterbium are two members of the lanthanide (rare earth) series of elements that haverevealed in their intermetallic compounds new physics and many interesting properties. The newcerium compound Ce2Rh2Ga has been found to form in one of two polymorphs, depending on thetemperature of formation. Here we wish to investigate peculiar ordering phenomena in the hightemperaturevariant, which forms in an orthorhombic crystal structure. Our exploratory physicalproperty studies discovered two unusual features: one is a sharp and very prominent anomaly atTH=127 K, and the second is a more subtle feature at low temperatures, called TL=1.5 K. Ourelectron transport studies show the likelihood of a metal-to-insulator transition accompanied by acrystal structure transformation at TH, whereas the origin of the lower transition is more obscurebut probably of magnetic origin.
DOI: 10.5286/isis.e.rb1820059
title: Magnetic structure of Sr2CoO2Cu2Se2

description: We will use single crystal neutron diffraction to determine the magnetic structure of the Co2+ moments in the layered oxide chalcogenide Sr2CoO2Cu2Se2. This will enable us to resolve ambiguities in the modelling of the magnetic scattering from powder diffraction data, and will enable us to explain why the system differs from the sulfide analogue.
DOI: 10.5286/isis.e.rb1820252
title: A QENS Study of Benzyl Phenyl Ether, a Lignin Model Compound, on a Hydrodeoxygenation Catalyst

description: Bio-oil is an alternative and renewable energy from biomass, however, its high content of oxygenates result in low heating values and chemical/thermal instability. One effective upgrading process is hydrotreatment using hydrodeoxygenation catalysts. We have synthesised a novel pillared clay catalyst, i.e.NiMoS/PILC and results showed that our catalysts were superior to commercial NiMoS/Al2O3. A crucial step in the reaction sequence is migration of adsorbed species to the active site. QENS is a well-established technique for measuring diffusion of adsorbates in microporous systems. However, it has been much less used for adsorbed species on supported catalysts. In our previous exploratory measurement, we demonstrated the measurement of guaiacol adsorbed on our catalysts. In this continuation we wish to compare the behaviour of benzyl phenyl ether adsorbed on a PILC and and a NiMoS/PILC.
DOI: 10.5286/isis.e.rb1820355
title: Determination of lithium ion diffusivity in the lithium-ion cell cathode material lithium iron phosphate (LFP)

description: With the decreasing cost of energy generation by renewable sources, energy storage is becoming increasingly critical to energy security across the globe. Lithium iron phosphate (LFP) is an attractive electrode material for use in rechargeable batteries due to its low density, low cost, safety, chemical and thermal stability, and appropriate electrochemical properties under ambient conditions. However, LFP suffers from low electrical conductivity and low lithium ion diffusion rates. A better understanding of the material is crucial to the development of improved cathode materials and increased battery efficiencies. This experiments aims to improve our understanding of lithium ion diffusion within LFP and will form a solid foundation for future research into the next generation of industrially relevant battery technologies.
DOI: 10.5286/isis.e.rb1820595
title: Comparison of traditional and newly developed consolidants to moisture fluctuations in easel painting canvases using neutron radiography

description: The degradation of an easel painting typically results in canvas loss in strength and elasticity so that it does not effectively support the paint structure. Lining of the painting was done almost as a routine procedure until awareness was raised in 1974 regarding the risks associated with the procedure of application and the stability and invasiveness of the glues used. The aim of our work is to investigate the efficacy of novel nanocellulose-based consolidants for modern easel paintings as a possible alternative to lining and to the use of common adhesives. This work is supported by the EU NANORESTART grant (http://www.nanorestart.eu/). To date, the assessment of new materials lacks a deeper understanding of their response to moisture sorption and desorption and how the moisture is distributed within the painting.This study aims at visualizing and quantifying this for treated canvas.
DOI: 10.5286/isis.e.rb1820631
title: 2D Residual Strain Mapping of Laser-shock Peened Aluminium using Bragg Edge Neutron Transmission

description: Laser-shock peening (LSP) has emerged as surface treatment process to improve fatigue performance of aerospace structures. We wish to use Bragg edge neutron transmission to produce through-thickness average 2D strain maps of LSP samples. The aims of the experiment are: (1) Investigate the effect of different peening parameters, layering and patterning on the residual strains generated at the surface of the sample; (2) Demonstrate the capabilities of Bragg edge neutron transmission technique in direct comparison between the two only TOF imaging instruments: IMAT@ISIS and RADEN@J-Parc; (3) Develop the software tools for Bragg edge strain mapping. This experiment will showcase the capabilities of the new IMAT instrument for strain mapping of engineering samples.
DOI: 10.5286/isis.e.rb1870005
title: Possibility of anomalous magnetic order under zero field in S=1/2 competing spin chain Cs2Cu2Mo3O12

description: S=1/2 quasi-one-dimensional competing spin chain Cs2Cu2Mo3O12 has two dominant exchange interactions of the nearest-neighboring ferromagnetic J1 and the second nearest-neighboring antiferromagnetic J2.  Due to the frustration effect, an exotic ground state is expected.  So far, existence of the long range magnetic order at TN =1.85 K was reported by the specific heat at zero-field, NMR peak broadening, and an abrupt increase in lambda of ZF-muSR.  Although these results assure an evidence of long range magnetic order, the static hyperfine field in the ordered state obtained by NMR becomes extremely small at low fields below 2 T, suggesting that the zero-field ordered state may be an unconventional one, such as the partial order.  We would like to propose LF-muSR measurements in order to investigate the spin state, particularly its dynamical fluctuation at temperatures below TN.
DOI: 10.5286/isis.e.rb1870007
title: muSR Investigation to probe spin fluctuations in (Y1.95-xCu0.05Cax)2Ir2O7

description: It is ideal to choose a non-magnetic element (Y227) in R2Ir2O7 series to investigate Ir. We have found the low-lying spin fluctuations in Nd2Ir2O7 from LF-muSR reflecting the 4f-5d exchange interaction between Nd and Ir. We got the four-days beam time to carry out ZF-muSR on (Y0.95-xCu0.05Cax)2Ir2O7 to determine the magnetic phase diagram but this is not good enough to investigate detail changes in the spin dynamics by changing samples, temperatures, and magnetic fields. We would like to propose additional beam times on 4 key samples with x=0, 0.10 (insulating with some doping), 0.15 (~QCP) and 0.20 (metallic). We expect to observe low-lying spin fluctuations even within 4kG range at low temperatures following our result on Nd2Ir2O7 to study mainly the spin-dynamics related to Ph.D. thesis of one of our members and we are planning to publish the data together with transportation results
DOI: 10.5286/isis.e.rb1870029
title: Exploration for Spin Liquid State in Spinel Titanates

description: We explore for the spin liquid state. Recently, the theoretical studies suggest that not only the frustrated lattice but also a structural fluctuation and disorder are important for the spin liquid state. The spinel titanate MgTi2O4 undergoes the structural transition from the cubic to tetragonal phase. The Ti ions are dimerized and form the spin singlet pairs. In the Mg-substituted Mg1+xTi2-xO4, though the tetragonal phase collapses, the Ti structural fluctuation remains and can induce the spin liquid state. In our previous study (EN 1770008), no muon-spin precession was observed at the lowest temperatures in Mg1.25Ti1.75O4 (x=0.25), suggesting no sign of a long-range magnetic order. In this proposal, in order to clarify the mechanism of this spin liquid state, we would like to suggest to measure the three samples in different x at 0.3K~300K and request six days beamtime.
DOI: 10.5286/isis.e.rb1870032
title: Spin dynamics of the new frustrated compound Cu5(PO4)3(OH)4

description: Cu5(PO4)3(OH)4 (mineral name; pseudomalachite) is a layered compound. A spin network  formed by Cu2+ ions (S=1/2) has very unique structure composed of triangles and pentagons.The spin lattice including pentagons  as its unit is very rare and new frustration effect can be observed. We already measured magnetic susceptibility, specific heat and high field magnetization of pseudmalachite using natural mineral samples. A magnetic order is found to occur at about 4 K, but calculated magnetic entropy associated with the magnetic order  is far less than the expected value. This result suggests that large amounts of spin fluctuations  still remain below the ordered temperature. The purpose of this proposal is to study the magnetic properties of pseudomalachite by measuring muon spin relaxation, which provides significantly sensitive probe for the magnetic ordering and spin dynnamics.
DOI: 10.5286/isis.e.rb1900116
title: ChipIR:  Characterization of soft errors for the 7-nm FinFET technology node for thermal neutron exposures

description: In addition to fast-neutron- and alpha particles, use of B10 in the fabrication process has resulted in high sensitivity to thermal neutrons for ICs fabricated at advanced technology nodes..  For the planar technologies, IC manufacturers had eliminated the use of B10 from the fabrication process.  But with the introduction of FinFET technologies, IC manufacturers have reintroduced B10 in the fabrication process. Experiments at several facilities by different researchers have shown increased vulnerability to thermal neutrons for FinFET technologies. For FinFET technology, that contribution has increased to about 20%.  In this project, we propose to measure the sensitivity of flip-flop cells fabricated at the 7-nm FinFET technology node to thermal neutrons.
DOI: 10.5286/isis.e.rb1900122
title: Thermal neutrons sensitivity of memories and computing devices

description: Modern devices include Boron-10 in the Silicon doping. The interaction between B-10 and thermal neutrons is likely to generate alpha particles, which lead to transient faults. The goal of this proposal is to continue our evaluation of the resilience of modern memories (DDR3, DDR4) and computing devices. We will study the neutron sensitivity of modern System on Chips embedding ARM core (with the BIG-little technology), FPGA programmable logic, Graphics Processing Units, and multi-core processors. During our experiments we will run object-detection frameworks for automotive applications implementing the hardening solutions we have developed based on previous experiments results.
DOI: 10.5286/isis.e.rb1910208
title: Multi-axial strain measurement under creep-fatigue interaction for novel power plant steel

description: Power plant components are subjected to high temperature and cyclic loadings causing them to operate near or beyond the yield limit of the material, hence residual stresses will be produced that are going to be critical to their life. As a result, accurate residual stress characterisation is often crucial for the design and analysis of high-reliability mechanical components.  The aim of this study is to investigate the evolution of residual stress in two power plant materials using neutron diffraction. The results of this study are going to be used to develop and validate a mathematical material model.
DOI: 10.5286/isis.e.rb1910363
title: POST WELD HEAT TREATMENT RESIDUAL STRESS RELIEF IN INCONEL ALLOY 740H ANALYSED BY NEUTRON DIFFRACTION AND EIGENSTRAIN MODELLING

description: The eigenstrain reconstruction method can provide residual stress calibration for processing and simulated service conditions for which experimental data is available. The eigenstrain Contour Method (eCM) previously allowed the reconstruction of residual stresses in large components and was partially validated against experimental CMM data, but further cross-techniqu validation is crucially needed. The eigenstrain source distributions from the previous study will be used to fine tune the creep model to predict the residual stress relief during the PWHT of Alloy 740H weldments. Our model can already predict the 3D distribution of the longitudinal, short- and long-transverse residual stress components from as-welded to PWHT conditions, but validation using neutron diffraction strain scanning (NDSS) is a key step needed to confirm its validity.
DOI: 10.5286/isis.e.rb1520228
title: Laser-induced electron transfer in Trp-Tyr

description: We wish to perform longitudinal field measurements on the dipeptide Trp-Tyr under laserexcitation, to probe the electron transfer process within the molecule. We have already performeda proof of principle experiment using a flashlamp on Argus. A previous attempt with laser excitation was not successful due to radiation damage to the sample. We are developing a continuous flow sample handling system to overcome this problem. The ability to measure ET processes in peptides with spatial resolution could lead to major breakthroughs in fields spanning from biomedical sciences to energy production.
DOI: 10.5286/isis.e.rb1520285
title: Biomolecular Cryoprotection in Deep Eutectic Solvents

description: Protecting biomolecules, such as proteins and enzymes, from the effects of cooling and freezing is important for the storage and handling of pharmaceuticals. Deep eutectic solvents provide a possible alternative biocompatible solvent that will prevent degradation of these delicate molecules. We propose to study the temperature dependent structure of proteins in a variety of deep eutectic solvents. These structural studies will be combined with calorimetric data and SAXS data to understand the mechanism of biomolecular cryoprotection.
DOI: 10.5286/isis.e.rb1520429
title: Investigations of some potentially multiferroic/magnetoelectric rare earth tantalates

description: Multiferroics - where ferroelectric and magnetic orders co-exist - continue to be of technological and scientific importance, and of particular interest are the improper multiferroics, where  polar order arises as a direct consequence of magnetic ordering. This area is driven by the continuous discovery of new materials, with potentially new coupling mechanisms. Towards this end, we are currently investigating rare earth tantalates of the form, A4Ta2O9 (where A=Mn or Co). This is driven by some prior theoretical calculations, where Mn4Ta2O9 has been predicted to be a ferroelectric, based on purely structural considerations. Both these systems are shown to exhibit long range magnetic order, and we propose an elastic and inelastic neutron investigation of these systems, in an attempt to discern the nature of spin order, and magnetic excitations in this hitherto unexplored class of systems
DOI: 10.5286/isis.e.rb1610299
title: Single molecular TIPS-pentacene isolated in a solid-state matrix

description: We have recently been awarded beamtime on the Cronus spectrometer, via the Riken proposal system, to investigate the possibility of performing solid-state laser excitation experiments on organic semiconductors. Due to an inconvenient background, the measurements are not possible on this spectrometer. We proposed to freeze (quench) a solution of TIPS-pentacene, and investigate the size and shape of ALC observed, to identify if it is possible to perform laser experiments on this matrix. This has the advantage of switching off the photochemical dimerisation, as the molecules are isolated from one-another and cannot diffuse. This enables the study of excitonic physics directly. It also considerably reduces the technical burdens on these sorts of experiments, as flowing liquid experiments are challenging.
DOI: 10.5286/isis.e.rb1610358
title: Continuation of Effects of IR Illumination on Mu Dynamics and Mu0 Formation in TiO2

description: We propose additional Muon Spectroscopy of Excite States (MuSES) measurements on TiO$_{2}$ to investigate Mu dynamics and low temperature Mu$^{0}$-like states in TiO$_{2}$ under near-IR illumination to explore the resulting excitonic states and behaviour. This work will shed light on the role and effects that the hydrogen impurity plays in the significant enhancement of H mobility under IR illumination as well as changes to the shallow donor state detected below 10K. These proposed measurements are a direct follow up to RB 1520339 that demonstrated the feasibility of these MuSES measurements by showing the largest laser induced effect measured (except for Si) since commissioning the instrument. The proposed measurements aim to explore two predicted O-Mu vibrational modes and test MuSES's ability to function as an experimentally accessible analogue to the H impurity in an excited state.
DOI: 10.5286/isis.e.rb1610373
title: Interaction of Xe with Membranes Using µSR

description: The mechanism of action of inhalation anaesthetics such as N2O and the inert gases are unclear. Direct binding to receptor sites on membranes would rely on weak intermolecular interactions. A plausible alternative is an indirect effect though changes in the dynamics of the lipids forming the membranes in which the receptors are anchored.  Previous experiments have established that the chain dynamics in DOPC are altered subtly upon exposure to N2O. Xe is a more potent anaesthetic than N2O, indeed a safe breathing mixture will give general anaesthesia. Consequently this proposal seeks to determine whether a DOPC bilayers exposed to Xe shows a more pronounced effect on the dynamics of the lipids. Furthermore, methyl oleate will be used as a model to give the anisotropic hyperfine coupling constant required to simulate the previously collected ALC-mSR spectra.
DOI: 10.5286/isis.e.rb1610496
title: ALC spectroscopy of the molecule BEDT-TTF and some of its salts

description: The electron donor molecule BEDT-TTF (ET) provides a versatile building block for constructing molecular metals, superconductors, magnets and quantum spin liquids. A common structural arrangement involves radical dimer cations [(ET)2]+ in compounds of the form (ET)2X and these dimers are typically arranged in 2D triangular lattice layers. Each dimer provides a single spin 1/2 whose low temperature behaviour depends on the interactions with neighbouring dimers in the layer. It has now become clear that fluctuations of charge between the molecules making up the dimer play an important role in the physics of the quantum spin liquid phases of these systems. ALC spectroscopy can provide a local probe of these electronic fluctuations via the associated hyperfine coupling. Initial reference studies of neutral ET will be followed by magnetic, metallic and spin liquid examples of the (ET)2X salts
DOI: 10.5286/isis.e.rb1610519
title: Silicon nanoparticles in thermoelectric material applications - Solution state measurements

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.