cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1520485
title: The Magnetic Structure of LaCoxMn1-xO3 (x = 0.75)

description: It is the aim of the current proposal to examine in detail the magnetic structure of LaCo0.75Mn0.25O3 at low temperature, which should provide insight into the nature of the complex magnetic behaviour away from the ?standard? ferromagnetism observed for materials in the series with lower cobalt content, and to our knowledge no diffraction experiments have been performed in the cobalt rich materials and to date the behaviours have been inferred by magnetometry measurements
DOI: 10.5286/isis.e.rb1562000
title: Potteries from the Sumerians city of Abu Tbeirah (Iraq). A non desctructive study.
DOI: 10.5286/isis.e.rb1562001
title: Prompt Gamma Activation Analysis (PGAA) on reference samples on INES
DOI: 10.5286/isis.e.rb1600005
title: Interactions of artificial membrane binding proteins with model membranes
DOI: 10.5286/isis.e.rb1820439
title: Study of phonon density of states in PGEC titanate thermoelectrics

description: To understand the thermal conductivity suppression within PGEC titanate oxide thermoelectrics we hope to complement theoretical calculations performed on several perovskites with measurement of phonon dispersions through inelastic neutron scattering. The samples are ready to be measured and have well characterised structures (I11, HRPD) and properties (thermal & electronic transport), published recently. Measurements over a range of temperatures will allow us to probe their anharmonic nature shown by calculations to emerge at 30 K and understand how this influences thermal conductivities of both phonon-crystal and phonon-glass materials. This combination of experiment and theory will provide a new understanding of correlations between electronic and thermal transport within these materials and directly link theoretical calculations with the design and discovery of better thermoelectrics.
DOI: 10.5286/isis.e.rb1900114
title: SEE studies on power devices and memories for high-energy accelerator applications

description: Following the radiation tests carried out on March 2018, the R2E project team (CERN) would ask for 3 full days of beam time to study the response of several commercial components and systems of interest for high-energy accelerator applications, under the unique neutron spectrum provided at the ChipIR facility. Among others, the test would include the analysis of SEE (SEU and SEL) rates induced on several SRAM and flash memories and FPGA boards. In addition, a study of hard error (SEB and SEGR) sensitivity on several medium voltage (bellow 500 V) silicon power MOSFETs and other wide bandgap power devices will be performed. Finally, the test campaign will include the irradiation of several sensors (silicon PiN diodes and optical fibers) with dosimetry purposes.
DOI: 10.5286/isis.e.rb1900115
title: The single ion crystal field ground state of Yb3+ in Yb2Ir2O7

description: The rare earth iridates, R2Ir2O7 have been intensely studied in recent years due to the unique behaviour of the magnetism on the iridium sites; a consequence of competition between spin-orbit coupling and electronic interactions. Multiple exotic states of matter have been found in these materials. With this proposed we aim to complete our ongoing study of Yb2Ir2O7. Upon cooling to temperatures below 2 K we find the Yb sublattice to order, but with an ordered moment much smaller than the analogous Yb2Ti2O7. This indicates important differences between these similar materials. To fully understand the behaviour of Yb2Ir2O7 we require an accurate model of the single-ion crystal field ground state of the Yb3+. Neutron measurements of the crystal field spectrum are ideal for this. We propose to measure these excitations using MAPS so that an accurate model of the Yb3+ ions can be developed.
DOI: 10.5286/isis.e.rb1910203
title: INS Studies of Olefin Reactivity in HZSM-5 Zeolite Catalysts

description: This proposal looks at the reactivity of propene in a commercial ZSM-5 zeolite catalyst. It builds on a previous INS study (on TOSCA) which showed that propene in this catalyst at room temperature forms long chain oligomeric carbenium  cations. We will examine what happens to these oligomers when heated to higher temperatures, and what happens when propene is directly admitted to the catalyst at higher temperatures. The measurements will provide understanding of the role of olefin oligomers in the catalytic conversion of methanol to hydrocarbons, and in the conversion of olefins to middle distillate, which are both commercial processes utilising this catalyst.
DOI: 10.5286/isis.e.rb1910325
title: Dynamics of yeast lipid membranes

description: A cell membrane can contain hundreds of different lipid molecules, but our understanding of the dynamics of cell membranes is very limited. As a result of a collaboration between the ILL and ESS on the deuteration of lipids from cell cultures, we can now produce 100s of milligrams of lipid extracts from yeast and other microbial cell cultures, sufficient for neutron spectroscopy studies of their dynamics. We recently carried out the first QENS experiment on IN16B  at ILL to investigate the ns dynamics of total lipid extracts from P. pastoris yeast, and found that their average molecular dynamics are considerably faster than single lipid membranes such as DMPC, and could not be observed on the timescale probed by IN16B. We now propose to continue our investigation on IRIS to probe faster dynamics that should allow a comparison to DMPC and the polyunsaturated lipid PLPC.
DOI: 10.5286/isis.e.rb1910479
title: Neutron Diffraction Studies of Sodium Manganese Oxides with the P3 Structure.

description: Batteries have a variety of applications, including as storage of energy generated from renewable sources such as wind and solar.  Whilst lithium-ion batteries dominate the portable electronics markets, sodium-ion batteries can be seen as contenders for static energy storage in the grid.  For grid storage applications, the lower cost of sodium compared to lithium is much more important than the additional weight. To date, layered materials exhibit the best performance as positive electrodes in sodium ion batteries.  Our recent work shows excellent cycling from the P3 structure.  The aim of this experiment is to carry out detailed crystallographic studies on a number of samples post battery testing. In turn the detailed structural models will  enhance our understanding of our electrochemical data.
DOI: 10.5286/isis.e.rb1910509
title: Hydrogen-bond dynamics of water in C-A-S-H: insights into the hydration properties of low CO2 cements

description: The manufacture of every ton of cement emits approximately 0.8 tons of CO2 into the atmosphere, comprising 5-7% of the global human-made CO2 emissions. A low pH - low CO2 class of alkali activated materials consisting of a nanoscopic phase of an Al-substituted C-S-H, called C-A-S-H, is one of the most promising replacements of traditional cementitious binders. C-A-S-H has improved durability and strength properties, as well as environment-friendly character (slag recycling and reduced CO2 emission). Little is known about the atomic structure of C-A-S-H and structural and dynamical properties of water within its pores. We propose to elucidate the H-bond dynamics of water in C-A-S-H, using a protocol that allows accessing the different pores of the C-A-S-H structure. This study will be key to construct a complete picture of water structure and dynamics in the different pores of C-A-S-H.
DOI: 10.5286/isis.e.rb1910551
title: Magnetic-field induced long-range spin order in quantum spin liquid candidate NaYbO2

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. This proposal aims to study the magnetic field induced magnetic phase transitions in a new quantum spin liquid candidate, providing new insights in understanding the mechanism of spin liquid systems.
DOI: 10.5286/isis.e.rb1910608
title: Quantum tunnelling of muonium via radical states in molecular solids

description: The extreme quantum nature of muons and muonium in condensed matter is the result of having a mass that is nine times lighter than that of a hydrogen atom.  While this quantum nature may often be masked by thermal excitations, at low temperatures its effects can become more apparent.  This was clearly demonstrated in solid benzene ALC spectra below 120 K, where both intramolecular and intermolecular multisite quantum tunnelling of radical states was observed.  Selective site substitution of the benzene molecule can control the sites available for quantum tunnelling and this has been demonstrated clearly for p-xylene in the previous beam time. We now propose to explore three further examples of methyl substituted benzenes, o-xylene, m-xylene and durene in order to carefully investigate the dependence of the muonium tunnelling on the details of the crystalline environment.
DOI: 10.5517/ccdc.csd.cc21lz3r
title: CCDC 1895064: Experimental Crystal Structure Determination

description: Related Article: Steven J. Mansfield, Russell C. Smith, Jonathan R. J. Yong, Olivia L. Garry, Edward A. Anderson|2019|Org.Lett.|21|2918|doi:10.1021/acs.orglett.9b00971
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21lz4s
title: CCDC 1895065: Experimental Crystal Structure Determination

description: Related Article: Steven J. Mansfield, Russell C. Smith, Jonathan R. J. Yong, Olivia L. Garry, Edward A. Anderson|2019|Org.Lett.|21|2918|doi:10.1021/acs.orglett.9b00971
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21lz5t
title: CCDC 1895066: Experimental Crystal Structure Determination

description: Related Article: Steven J. Mansfield, Russell C. Smith, Jonathan R. J. Yong, Olivia L. Garry, Edward A. Anderson|2019|Org.Lett.|21|2918|doi:10.1021/acs.orglett.9b00971
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21lz6v
title: CCDC 1895067: Experimental Crystal Structure Determination

description: Related Article: Steven J. Mansfield, Russell C. Smith, Jonathan R. J. Yong, Olivia L. Garry, Edward A. Anderson|2019|Org.Lett.|21|2918|doi:10.1021/acs.orglett.9b00971
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5286/isis.e.rb1510622
title: Investigation of the magnetic ground state of R2RuO5 (R = Pr, Nd, Sm, Tb)

description: R2RuO5 (R=Pr, Nd, Sm, Gd, Tb) are known to exhibit interesting physical properties. They all show magnetic ordering between 8 ¿ 24K. They also show large Sommerfeld coefficient, however they have nonmetallic  ground state. Pressure study reveals that the TN of Sm2RuO5 and Tb2RuO5 are suppressed by the application of pressure, however no such decrease of TN is found for Gd2RuO5. It has been argued that the decrease in TN of Sm2RuO5 and Tb2RuO5 with pressure is brought through the increase in the crystalline electric field interaction strength. Gd2RuO5 has negligible crystalline electric field therefore no change is brought by pressure. It will be of interest to investigate the magnetic properties of these compounds using the muon spin relaxation and neutron techniques. We propose to investigate R2RuO5 (R=Pr, Nd, Sm,  Tb) using muon spin relaxation, neutron diffraction (R=Pr,Nd and Tb).
DOI: 10.5286/isis.e.rb1520199
title: muSR study of oxy-pnictide superconductor approaching to a possible quantum critical point

description: Many relevant hints on the superconducting properties of a family compound can be derived from the behavior of the temperature and/or doping dependence of the superfluid density. Here we propose a transverse field muon spin rotation investigation of the superconducting properties of the optimally F doped La(1-􀀀x)Y(x)Fe(0.995)Mn(0.005)AsO(0.89)F(0.11) compound. In this system the substitution of La by the isoelectronic Y gradually increases the superconducting transition Tc from zero to about 30 K in the range 0 &lt; x &lt; 0.3. The aim is to measure the superfluid density, via the analysis of the muon linewidth, while Tc is increased. This will help to elucidate the behavior of the superfluid density in the oxypnictide superconductors and to clarify the presence of an expected quantum critical point.
DOI: 10.5286/isis.e.rb1520321
title: Effect of oxygen vacancies on the phonon dispersion of pyrochlores

description: The frustrated magnetism of pyrochlores makes them candidates for applications in magnetic cooling and scientific instrumentation, and the proposal that they can be used to manipulate isolated magnetic monopoles has generated huge scientific and technological interest. The roles of structural defects are key to understanding the low-temperature properties of these materials. Defective pyrochlores are also of interest for fuel cells, catalysts for lithium-oxygen batteries, and their resistance to radiation damage makes them attractive materials for radioactive waste storage. The phonon dispersions from this class of material display anomalous features which are attributed to the presence of defects. We now plan to study a large, highly defective crystal using inelastic neutron scattering in order to determine the effect of oxygen vacancies on the lattice dynamics.
DOI: 10.5286/isis.e.rb1520336
title: Controlling superconductivity in layered lithium iron selenide hydroxides

description: Lithiation can be used to control the superconductivity in layered lithium iron selenide hydroxides, transferring iron from one layer (the lithium hydroxide layer) to the active layer (the iron selenide layer, filling up vacancies).  Muon spin rotation can be used to probe the superconducting state of these new materials and we propose to study the effect of further control using cobalt substitution.  This project is part of our efforts to find new ways of establishing superconductivity in layered iron-based materials that go beyond the methods developed over the last few years.  Post-synthetic lithiation gives us a chemical means of altering superconducting properties within a single compound, or family of compounds.
DOI: 10.5286/isis.e.rb1567490
title: Magnetism of an insulator phase near high-Tc honeycomb lattice superconducting phase
DOI: 10.5286/isis.e.rb1567493
title: Investigation of magnetic ground states in mixed kagome systems (Rb1-xCsx)2Cu3SnF12 II
DOI: 10.5286/isis.e.rb1567499
title: µSR study of the density wave state in a-(BEDT-TTF)2MHg(SCN)4 (M=K, Rb)
DOI: 10.5286/isis.e.rb1567510
title: Probing electron transfer in bio-materials probed by muon labeled electron method
DOI: 10.5286/isis.e.rb1600022
title: The active role of solvents in oxidation catalysis
DOI: 10.5286/isis.e.rb1820619
title: Structural insights into crude oil asphaltenes II: Correlating molecular descriptors to multi-scale structure

description: Asphaltenes are a complex and problematic fraction of crude oil that can precipitate, block pipeline and foul refineryequipment. Asphaltenes have a high proportion of aromatic carbon and heteroatoms (N, S, O) and are generally thought to consist of one (or more) aromatic cores with alkyl side chains. For solid asphaltenes the structural model used is of small clusters of stacked asphaltene molecules approximately 1-2nm in size. We have found that we can alter the level of stacking and phase separation using different precipitants. The proposed experiment will measure wide Q-range neutron total scattering of solid and dispersed asphaltenes from different source crudes and further fractionated according to their propensity to precipitate. Allowing us to see if the trends observed to date a true for asphaltenes from all sources.
DOI: 10.5286/isis.e.rb1900028
title: Muon charactersiation of dielectric insulation system under applied electric fields

description: We plan to measure the electric field distribution in epoxy resin based dielectrics close to breakdown using muons to detect the free charge carriers that may contribute to space charge build-up, or the changed E-fields resulting from such charges. The initial stage was to characterize the muon response in zero E-field in the pure constituent materials (epoxy resin, glass fibre and mica tape). This was done with Xpress measurements (XB# 1790200). In this second proposal we would now like to measure the constituent materials and the composite under time varying E-fields, and observe the change in the established characteristic responses
DOI: 10.5286/isis.e.rb1910321
title: Correlating the Internal Structure of Drug-Loaded Polymeric Nanoparticles to Drug Release

description: The understanding the drug release mechanism from polymeric nanoparticles (PNPs) requires a detailed characterisation of the PNPs internal structure. Small-angle neutron scattering in combination with contrast variation is a unique probe that can provide not only quantitative analysis of core size and shell thicknesses, but also yield the chemical composition of the drug-loaded core. Here we propose a series of experiments to fully characterise the core of our PNPs. This work will also give an insight into any changes to the PNPs polyethylene glycol stealth layer which can be tailored to affect the PNPs biodistribution and circulation lifetime, thereby controlling the amount of drug delivered to the patient.
DOI: 10.5286/isis.e.rb1910449
title: Quantification of the Residual Stress Distribution in 316L Welded Austenitic Stainless Steel Dry Store Canister to Determine Risk of SCC

description: 316L austenitic stainless steels are widely known for their corrosion resistance however they have been known to fail under specific conditions via stress corrosion cracking. High residual stresses from manufacturing processes (such as welding) within a component increases susceptibilty to stress corrosion cracking. In the UK, dry storage canisters are made out of 316L stainless steel for temporary storage of used nuclear fuel (50-100 years) and these canisters are manufactured with multiple welding processes. These welds are untreated and are likely to have considerable residual stresses associated with them. The proposed experiment would look at the residual stress distribution across the axial weld of a 316L dry store canister sample provided by EDF, looking at the differences in residual stresses in the base canister material, the heat affected zone of the weld and the weld itself.
DOI: 10.5286/isis.e.rb1910531
title: Frustrated Lewis pairs: encounter complexes in an ionic liquid

description: Frustrated Lewis Pairs (FLPs) are combinations of bulky Lewis acids and bases, which cannot form acid-base complexes due to steric hindrance. They are capable of metal-free H2 activation, by H2 interacting with an "encounter complex" - a transient association of a Lewis acid and base. In benzene, encounter complexes are impossible to detect by simple NMR studies, but were detected by neutron scattering on SANDALS, combined with modelling and structure refinement with EPSR, as reported by our group (L. C. Brown, et al., Chem Commun, 2018, 54, 8689). We found that ionic liquids may stabilise encounter complexes, increasing their lifetime and concentration compared to benzene. Here, we study a phosphine/borane FLP in an ionic liquid, aiming to probe the encounter complex structure, compare it to that in benzene, and use this knowledge to optimise a system for metal-free hydrogenations.
DOI: 10.5286/isis.e.rb1910562
title: Sealed away: revealing relics in Egyptian bronze votive boxes through Neutron-Imaging

description: This project concerns Ancient Egyptian bronze containers, known as relic-boxes. Believed to contain the mummified body of the creature represented on the box, they form a significant material expression of the animal cult which flourished in Egypt during the 1st millennium BC. The proposed experiment would investigate with neutron imaging the content of six still sealed leaded bronze boxes, topped with figures of lizard, cobra and eel, and, dated to the 7th-4th century BC. Recent X-ray CT-scans have determined the presence of material in most, though the identification of the content remains limited due to the high attenuation of X-rays from the leaded bronze cases. Neutrons can easily penetrate dense materials and are very sensitive to organic matter, making neutron imaging the ideal method to reveal the boxes sacred content.
DOI: 10.5286/isis.e.rb1910613
title: Probing the influence of deposition energy on the magnetic properties of FeCoNiAl0.25Mn0.25 High Entropy Alloy thin films grown by PLD

description: Magnetic HEA thin films could open up the possibility to develop spintronic devices for use in hostile environments e.g. for high temperature applications. Previous studies have suggested that the energy of deposition may influence the growth of HEA thin films, such that higher energies result in more uniform films with a reduction in phase separation to sub-alloys. By growing films using different deposition energies we have observed a change in the amount of phase separation in our films. However, lab based magnetic measurements do not provide any information about the magnetic uniformity of the films as a function of depth. Using PNR we want to study the depth dependent magnetic uniformity of our films with respect to deposition energy, with a view to develop these films for spintronic applications.
DOI: 10.5286/isis.e.rb1910619
title: Mimicking Pathogens : Floating Gram Negative Bacterial Membranes Containing the O-antigen

description: Recently we have been able to show two advances in the creation of realistic models of the Gram negative bacterial outer surface for use in biophysical and structural studies. First we have incorporated smooth (O-antigen containing) lipopolysaccharides into our silicon supported membrane models. Secondly, we have improved the ease of floating bilayer production by depositing the asymmetric LPS containing membrane mimetics below a thiol-alkane self assembled monolayer. Here we wish to combine these advances to examine free floating, asymmetric, smooth LPS containing membranes and use these systems to re-examine the effect on the Gram-negative bacterial outer membrane of divalent cation sequestration.
DOI: 10.5517/ccdc.csd.cc20tf4f
title: CCDC 1871474: Experimental Crystal Structure Determination

description: Related Article: Yujiao Hou, Haiyan An, Shenzhen Chang, Jie Zhang|2019|Cat.Sci.Tech.|9|2445|doi:10.1039/C9CY00094A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.