cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1810315
title: Residual strain measurements after cold expansion prior and after thermo-mechanical loading

description: Previous measurements on ENGIN-X (RB1710155) performed on samples with different residual stress states after cold expansion gave good correlations between numerical and experimental results in the initial state after cold expansion up to 2mm from the surface. However, measurements closer to the surface could not be performed due to the gage volume set up and no clear trend concerning stress relaxation after thermo-mechanical treatments could be observed compared to the reference state. This experiment aims at feeling the gap of the previous experiment with diffraction measurements closer to the surface in the initial state (reduction of the gage volume) and with measurements on samples with appropriate thermo-mechanical treatments (calibrated using FE simulation) in order to finalise the characterisation of residual stresses after cold expansion and validate the numerical modelling
DOI: 10.5286/isis.e.rb1810354
title: Use of Negative Muons for elemental characterization of Nuragic votive ship

description: The idea behind the proposed experiment is to use muon negatives spectroscopy as a non-invasive and non-destructive probe for quantitative bulk analysis to be used in the archaeometric field for elemental characterization of artifacts and ancient objects. This project aims to perform the in-depth study with muons beam of metallic artifacts from the late Bronze-age found in different area of the Italy (Sardinia, Tuscany, Lazio and Campania regions. In particular the goal should be to achieve a series of measurements on homogeneous type objects from three different areas of the Italian peninsula all affected by contact with the Sardinian population. In particular it would be analyzed similar objects from different contexts.
DOI: 10.5286/isis.e.rb1810610
title: A High-Pressure Low-Temperature Crystallographic Study of the Pm3m - I4/mcm Ferroelastic Phase Transition in KMnF3

description: The perovskite-structured phases and their associated phase transitions remain an enduring topic of study within the solid state sciences due to their importance in both applied science (non-volatile ferroelectric random access memories being a major money spinner), and pure science (all elements except the noble gases are claimed to occur within a perovskite structure) as they exhibit a wide ranging spectrum of physical properties. In this proposal we aim to satisfy interests ranging from physics (applying thermodynamical models to crystallographic changes) to geophysics (studying analogue phases of the most common mineral in the Earth's lower mantle). We propose to study changes in the crystal structure of potassium manganese fluoride as a function of temperature and pressure to assist in geophysical modelling of the lower mantle.
DOI: 10.5286/isis.e.rb1810627
title: Interplay of apoptosis regulating Bcl-2 proteins with mitochondrial membranes upon oxidative stress: Impact of oxidized lipids.

description: Mitochondria are not only the powerhouse of the cell, but are also involved in cellular suicide via apoptosis (programmed cell death). The mitochondrial apoptotic pathway is a major regulator in mammalian cells death, where pro- and anti-survival Bcl-2 proteins meet at the mitochondrial outer membrane and tightly regulate the fate of a cell. Treatment-resistant tumour cells often possess mitochondria which are enriched in the pro-survival Bcl-2 membrane protein which blocks any apoptotic signals upon onset via oxidative stress. Our main aim is to generate by using neutron reflectometry fundamental knowledge about the membrane mediated function of the cell-death causing (anti-survival) Bax protein and its counterplayer, the pro-survival  Bcl-2 membrane protein to regulate and execute apoptosis; information also useful for novel cancer strategies.
DOI: 10.5286/isis.e.rb1810782
title: Chemical composition and depth profiling using negative muons of Medieval double-edged swords

description: The European Medieval double-edged sword develops in the 11th century from the Viking Age swords. Already in the 10th century, some of the finest examples of the Ulfberht type of Viking swords began to exhibit a more slender blade geometry and moving the centre of mass closer to the hilt.
DOI: 10.5286/isis.e.rb1820107
title: The Bronze Age from Iberian Peninsula and its metalwork

description: The study aims to provide information about manufacturing technologies and internal morphology of 10 leaded bronzes palstaves, containing a ball of pure lead in their bulk, coming from a wide collection held in the British Museum and dated between the Late Bronze Age and the earliest Iron Age (1000 B.C.  650 B.C.). The study will be performed at IMAT beamline through neutron radiography (NR) and tomography (NT) using both standard and energy dispersive setups. The proposed experiment is part of a large-range characterisation campaign on this collection of axes coming from different sites of the Iberian Peninsula. It aims to fully characterise 10 objects made of leaded/tin bronze through integrated neutron techniques (neutron imaging, diffraction, chemical/isotopic bulk analysis) at ISIS Spallation Neutron Source and X-ray based techniques (x-ray radiographies, XRF) at the British Museum
DOI: 10.5286/isis.e.rb1820167
title: The nature of muon relaxation in the phase diagram of Cu2OSeO3

description: Skyrmions are topologically protected, nano-sized objects existing in the spin textures of a range of magnetic materials. Using LF muSR we see an enhanced relaxation and strong peak in the relaxation rate in the skyrmion phase in systems such as Cu2OSeO3 and GaV4S8. We believe the observed peak includes contributions from critical slowing down near the phase transition, as well as enhanced dynamics within the skyrmion phase, reflecting the emergent excitations of the skyrmions. However, the precise behaviour remains unclear, owing to the very small size of the phase in field and temperature. Here we propose to make a detailed LF study of single-crystal Cu2OSeO3 to enable us to separate the contributions to the relaxation rate from the phase transition, and those due to the SL itself. We will then perform the first muon study of dynamics in the newly-reported tilted conical phase.
DOI: 10.5286/isis.e.rb1820181
title: Inelastic Neutron Scattering study on Co-doped CeCu2Ge2

description: The AFM ground state of CeCu2Ge2 can be continuously suppressed by Co doping and NFL type  behavior is seen around the critical concentration xc = 0.6. The electrical resistivity reflects the crystal field effect which does not change appreciably with increasing x. The low-temperature maxima around 6 K can be attributed to Kondo coherence, is monotonically decreasing with increasing x in sharp contrast to increase in Tmax in CeCu2 (Si1-xGex)2 and CeCu2Ge2 under pressure. C/T vs T data for Ce(Cu0.4Co0.6)2Ge2 follow power law behavior  in temperature range 0.3 K to 3.6 K.  So it would be interesting to investigate the exact nature of quantum critical fluctuation near xc along with CEF excitation in the doped system using inelastic neutron scattering technique. We therefore propose to carry out INS study on these compounds using the MARI/MERLIN specrtometer.
DOI: 10.5286/isis.e.rb1820409
title: Quantifying antibiotic resistance using bacterial model membranes

description: The Gram negative bacterial outer membrane protects the bacterium from toxins such as antibiotics and is partially responsible for the rapid rise in antibiotic resistance in these bacteria. Its outer surface is formed by a lipid, lipopolysaccharide (LPS) which is unique to Gram negative bacteria. We are developing models of these bacterial outer membranes and have successfully recreated their interaction with the antibiotic Polymyxin B which acts directly upon LPS . We can now observe the effects of natural LPS modifications which occur in resistant bacteria and here we wish to study the effect of reduction in LPS negative charge.  We will observe how it reduces antibiotic binding and also its cost to the viability of the bacterium, in terms of membrane stability. This will enable the design of better antibiotics effective against antibiotic resistant bacteria.
DOI: 10.5286/isis.e.rb1820422
title: Probing the bulk morphology of fullerene-free organic solar cell blends using SANS

description: The aim of this project is to develop an understanding of the relationships between the processing, nanoscale structure and device performance of bulk heterojunction, fullerene-free organic solar cells (OSCs). Optimised processing of OSCs has the potential to offer a low-cost, solution-processible, renewable energy source. We have fabricated fullerene-free OSCs based on a blend of ITIC, a small molecule non-fullerene acceptor and PBDB-T, a recently developed donor polymer, with efficiencies as high as 7.7%. We will build upon this work using SANS, to investigate the dependence of the properties of the phase separated nanoscale domains in non-fullerene photovoltaic blends, on processing factors such as thermal annealing, solvent annealing, casting solvent and blend ratio.
DOI: 10.5286/isis.e.rb1820498
title: Search for signature of Skyrmions in nanostructured Cu2OSeO3 using Small Angle Neutron Scattering

description: Chiral magnets with topologically protected states, such as Skyrmions in Cu2OSeO3, have been the center of attention of the scientific community due to their promising technological applications. Scaling down from bulk Cu2OSeO3 to nanoscale samples, especially in the range of Skyrmion size, it could be interesting to see if we can manipulate the size of the later, and by doing so, opens up new areas. Though both bulk and nanomaterials are isostructural from the x-ray analysis, our studies show that the magnetic properties are not the same, mainly the saturation magnetization is about 50% higher than that of the bulk sample, which could be a result of a different spin configuration itself. We will utilise the SANS technique to determine how the helical state changes with nanoparticle size in Cu2OSeO3 to have a better understanding of the formation of skyrmions between these two materials.
DOI: 10.5286/isis.e.rb1820506
title: Zinc coordination environment in zinc aluminosilicate (ZAS) glass

description: A combination of high real-space resolution neutron diffraction and 27Al and 29Si NMR will be used to measure the structure of glassy ZnO-Al2O3-SiO2.  The focus will be on cuts across the glass forming region of the ternary phase diagram in which the ZnO:Al2O3 ratio is varied at constant SiO2 content. The strategy is aimed at maximising change to the Zn-O coordination number which can vary from 4 to 6, i.e., Zn has the capability to transform its identity from a network former to a network modifier. The results will provide a complete picture for the inter-dependence of the local Zn, Si and Al coordination environments on composition for a model system in glass engineering.
DOI: 10.5286/isis.e.rb1820524
title: Impact of homo- and hetero-association of complex molecular nano-sized drug delivery systems

description: The present proposal concerns a PEGylated, hydrophobic drug containing polylysine dendrimer that demonstrates unexplained batch-to-batch variability in that  two batches of the AZD0466 drug-dendrimer conjugate exhibit slightly different particle sizes and in vivo behaviour, whereas drug loading and drug release is similar for both batches. SANS in combination with contrast variation will be used to determine how the molecular architecture of the dendrimer molecules alters in the presence of drug and by changing solvent (from water to methanol). The information obtained in the present study will be invaluable in understanding how these dendrimer nanoparticles can be successfully exploited as drug delivery vehicles.
DOI: 10.5286/isis.e.rb1870010
title: muSR studies on CuOHCl single crystals to discover the mechanism of new multiferroicity

description: Recently we have found multiferroic-like properties in an S=1/2 Cu2+ quantum-spin triangular-lattice compound CuOHCl.  It showed geometric frustration and antiferromagnetic transition at TN = 11 K, but with an anomaly followed below 5 K. An extensive study on this new compound has suggested a multiferroic transition at 5 K. Therefore, establishing such a new triangular-lattice multiferroic system is of great current interest. Therefore, we propose muSR experiments on single crystals. The single crystal muSR would enable us to  uncover the the mechanism of the newly found multiferroicity in an interesting material system.
DOI: 10.5286/isis.e.rb1900011
title: SEE effects in Avionics and advanced fault mitigation

description: This neutron radiation test aims to look at the state of the art electronics and single out what is best to use for future avionic systems. In focus here are complex electronic components and advanced Saab made error detection algorithms. The high demand on reliability and availability for aircraft electronics makes us want to investigate the failure modes that can emanate from atmospheric radiation and how to protect especially advanced processors and field programmable gate arrays (FPGAs). If this test is successful these components are very likely to be integrated in the next avionic systems in the present new production of aircrafts and in coming updates of older aircrafts.
DOI: 10.5286/isis.e.rb1900036
title: Induction for POLARIS; first in-beam test

description: An induction furnace has been developed for POLARIS. It has been tested at ISIS for 3 month during which it has passed all safety test required to be tested in beam. Currently the furnace can heat a sample to &gt;1000 degree celsius in less than 5 minutes while only delivering 650 W of power input. The Tompkinson flange for the setup has now been finished and we are ready to start testing the equipment.
DOI: 10.5286/isis.e.rb1620145
title: Neutron diffraction characterization of gallium ferrite thin films

description: Ga2-xFexO3 (GFO) is a ferrimagnetic magnetoelectric material presenting a Curie temperature above room temperature for x&gt;1.3. It is therefore an interesting candidate for the realization of magnetoelectric memories ME-RAMs. We have performed coupled SQUID magnetometry and XMCD measurements on GFO thin films and evidenced a coinciding minimum in the magnitudes of Hc and ML. A similar behaviour is described in the literature for the isostructural compound epsilon-Fe2O3, and explained by a lattice distortion accompanying a commensurate to incommensurate magnetic transition. This transition has however never been evidenced in bulk for GFO. We therefore wish to perform a coupled neutron diffraction and 57Fe Mössbauer spectroscopy study of the magnetic structure of 57Fe-enriched GFO thin films in order to determine whether GFO thin films present a lattice distortion driven magnetic transition.
DOI: 10.5286/isis.e.rb1710379
title: Magnetic Ionic Liquids: measuring the ions diffusion as a function of the applied field

description: New ionic liquids made of diamagnetic cations and anions consisting of d- and f- transition metal complexes are gaining increasing recognition because of their marked paramagnetic behaviour. Compounds of this kind change their properties upon the application of a magnetic field in the few Tesla range, and provide new opportunities in biotechnology such as the purification of DNA. To investigate the microscopic mechanisms underlying these observed effects, we propose to quantify the magnetic field dependence of dynamical properties of the magnetic ionic liquids [bmim][FeCl4] for field strengths up to 5T, in the temperature range 180-340K. Models for the computer simulation of MIL's are being developed within our group. Their validation by comparison with experimental data could boost the development of joint simulation and experimental studies, and the development of applications.
DOI: 10.5286/isis.e.rb1720106
title: The Monolayer Structure of Polyaromatic Hydrocarbons on Graphite

description: Self-assembled monolayers are employed in the fabrication of organic transistors and organic- electronic devices. Polycyclic aromatic hydrocarbons (PAHs), a class of organic precursors made by multiply fused aromatic rings, have been particularly promising for optoelectronics applications. The diffusional properties of organic precursors are central in the self-assembly process. We have previously elucidated information on the dynamics of fluoranthene (a common PAH) on graphite and now seek to make complementary measurements of adsorbate structure. This work forms part of an extended study where measurements of benzene and pyrene have allowed us to postulate a correlation between molecular size and diffusion rate. The presence of a five-carbon ring in fluoranthene allows us to see the effect on the surface structure and dynamics of breaking the match in adsorbate-substrate symmetry.
DOI: 10.5286/isis.e.rb1720109
title: Tuneable thermal expansion in framework materials: a case for neutron Compton scattering

description: The full strength of the VESUVIO+ beamline  on  the  Target  Station  1  (TS1)  will  be  exploited to globally tackle the local  phenomenon of the tuneable thermal expansion in two samples, (i) a negative thermal expansion (NTE) exhibiting (Sc,Fe)F3; and (ii) a positive thermal expansion (PTE) exhibiting Lix(Sc,Fe)F3; x ~0.4,  by concurrently measuring   neutron transmission, neutron powder diffraction, neutron Compton scattering, in a mass-selective mode (MANSE), enabling distinct separation of Li recoil peak and partial separation of Sc, Fe and F recoil peaks,  and neutron Gamma Dopplerimetry as applied to the Scandium neutron-Gamma resonance. Using the combination of information obtained concurrently from these four techniques, spanning the entire incident neutron spectrum accessible on TS1, will shed a light on the thermal expansion tuneability of framework framework materials
DOI: 10.5286/isis.e.rb1720204
title: Exploring cation dynamics in a hybrid Prussian blue analogue

description: Many hybrid Prussian blue analogues show exploitable electric behaviour, such as piezo-, pyro-, or ferroelectricity or dielectric switching. We have previously characterised one such material, (HIm)2K[Fe(CN)6], by QENS: this is an ideal technique to reveal the dynamics of the imidazolium cation rotating in the pores, since the only hydrogen in the material is in this cation. We now propose to measure the analogous material (HIm)2K[Co(CN)6] in the same way. Although the Fe and Co compounds are isostructural, their phase behaviour differs in subtle but significant ways. Understanding the link between the structural phase transitions and the cation dynamics revealed by our proposed experiment will help to crystal engineer materials with targeted dynamic behaviour, and hence desirable electric functionality.
DOI: 10.5286/isis.e.rb1720218
title: Understanding the effect of catalyst ageing on small molecule diffusion in NOx abatement catalysis

description: We aim to study using QENS the effect of catalyst ageing small molecule (water) mobility in CHA zeolite catalysts used in selective catalytic reduction (SCR) process for emission control technology. QENS measurements will take place at 273, 288, 303 K, and 10 K. The samples will be a fresh CHA catalyst, and a catalyst aged for 200 hours at 523 K in a humid stream, which hydrothermally damages the zeolite framework. The diffusivities obtained using QENS will be compared to macroscopic gravimetry measurements carried out at the Johnson Matthey technology centre (showing significant differences in diffusivity between fresh and aged catalysts) which measure mass transport over larger scales than the nanoscale probed by QENS. We aim to understand the relative importance of nanoscale mobility, and macroscopic mobility in the resulting deactivation of SCR catalysts after the ageing process.
DOI: 10.5286/isis.e.rb1720221
title: Probing the Mobility of Simple Phenolic Lignin Monomers for Model Development of Biomass Conversions in Zeolites

description: Due to the importance of developing efficient biomass conversion processes, the mobility of lignin constituents phenol and catechol in zeolite Beta will be studied using QENS. Lignin is one of the most abundant biomass constituents, and accurate simulation of its components in promising catalysts is highly desirable. Experimental mobility data such as diffusion coefficients, activation energies and jump diffusion residence times will form a significant empirical component of interatomic potential parameters being developed from DFT calculations. Changes in molecular structure like the presence of the extra OH group in catechol can significantly impact the interaction of the sorbate with the catalytic active sites. Fundamental studies into the effect of this interaction change on mobility will contribute greatly to the long term study and catalyst development for lignin depolymerisation.
DOI: 10.5286/isis.e.rb1720405
title: Search for New Spin Density Wave State in CeRhIn5 caused by Fermi Surface Reconstruction

description: CeRhIn5 shows the rich phase diagram with superconductivity, spin density wave and charge density wave. The appearance of the Fermi surface nesting inside the antiferromagnetic state is reported at around 30 T by the transport measurements. More recently, the charge density wave is reported in the same field range in the micro fabricated sample. It is claimed that the Fermi surface nesting is the indication of the localized-itinerant transition of Ce moment. If this is the case, a substantial change should present in the antiferromagnetic ordering and for the staggered moments. The purpose of this proposal is to examine the change of the spin density wave by using a neutron diffraction under the pulsed magnetic fields upto 40 T. Understanding of the interplay between the Fermi surface and the magnetic wave vector gives the essential to understand the quantum phase transition of CeRhIn5.
DOI: 10.5286/isis.e.rb1720435
title: Small-Angle-Neutron Scattering to determine the conformations of uncoupling protein-1

description: Most of the energy that we gain from the breakdown of sugars and other fats is harnessed by mitochondria, the 'power plants' of our cells. However,, specialised cells in some mammals can breakdown fat (brown fat cells) can release the energy as heat.  This type of heat generation is fully reliant on a protein called uncoupling protein 1 (UCP1). UCP1 facilitates the leak of positively charged protons across the inner membrane of mitochondria, which short circuits the conventional proton transport pathway that would otherwise contribute to the production of the nucleotide ATP.  The molecular mechanism of UCP1 is not known, but recent research has shown the nucleotide ATP and ADP can bind and regulate the function of UCP1. This proposal aims to improve understanding how ATP/ADP regulation works, by identifying whether the UCP1 conformation changes in the presence of nucleotide.
DOI: 10.5286/isis.e.rb1800059
title: muSR Study on the Dynamics of Electronic Dipoles in Alkali Metal Halide Perovskites

description: The flip-flop and inonic motions of electronic dipoles in organic-molecule doped alkari halide perovskite systems are proposed to be investgated by muSR. We plan to apply the E-field muSR technique to three provskite systems of APbBr3 with A=MA, FA and GA as organic cations. Thos cations are expected to have charge polarizations leand to the appearace of electronic dipoles. Thermal fluctuations of electronic dipoles could transfer the charge, so thtat those systems are expected to be applied as high-performance solar-power-cells. This proposed experiment is to investigate the dynmics of effectieve ionic motions and freezing of electronic dipoles.