cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1810088
title: Ba3Mo1-xNb1+xO8.5-x/2 novel oxide ion conductor: Local structure and structure-property relationships

description: Oxide ion conductors are researched as potential electrolytes in solid oxide fuel cells (SOFCs). Yttria-stabilized zirconia is currently the most commonly used electrolyte in SOFCs, leading to very high operating temperatures of 800 - 1000 °C, precluding a more widespread use of these devices. In order to reach the goal of lower temperature (&lt; 800 °C) SOFCs new oxide ion conducting materials are sought. Ba3MoNbO8.5 adopts a novel structure, which is a hybrid of the 9R perovskite polytype (A3B2O9) and the palmierite structure (A3B2O8). It is a pure oxide ion conductor under standard conditions with a conductivity of 2.2 × 10-3 S cm-1 at 600 °C.We request 3 days on POLARIS and 1 day on XPDF (I15-1) for neutron and X-ray total scattering experiments on Ba3Mo1-xNb1+xO8.5-x/2 (x = 0, 0.3) materials to elucidate the structure-property relationships in these new solid electrolytes.
DOI: 10.5286/isis.e.rb1810135
title: Inherent damage tolerance of fine grained nuclear graphite at elevated temperatures

description: Current UK reactors use a graphite composite material in the core and this material comprises coarse grains and about 20 vol.% porosity. This material functions well so far but the 14 UK reactors are reaching the end of their designed lifetime. Plans for next generation of nuclear power plants are therefore underway, and new designs of this graphite composite have come up online. The new materials have finer grains and therefore are stronger. However, compared with the coarse grained UK graphite, the new material may be more 'brittle'. This is what we are trying to find out in this experiment. Neutrons will tell us how much the lattice has deformed in the material under load; we then take digital images of the surface of the sample to calculate the overall deformation. By comparing the two, the amount of 'non-brittleness' of the material at different temperatures can be derived.
DOI: 10.5286/isis.e.rb1810498
title: Understanding the mechanism of primary creep persistency: dislocation density evolution

description: The proposal requests 2-day access to ENGIN-X instrument for gathering diffraction data from 20 samples made of two high-temperature steels (10CrMoVNbN and TP316H).  The samples have been taken from a set of interrupted high-temperature variable-stress creep tests and have a defined deformation history. The obtained diffraction patterns will be analysed using the CMWP method which evaluates the peak broadening characteristics of diffraction peaks for determination of dislocation density. The derived dislocation density values will be employed to understand the responsible mechanism for the repeated occurrence of fast creep stage during stress varying creep loading conditions (i.e. primary creep persistency, PCP). The observations will be used for examination of the reliability of our proposed PCP mechanism and effectiveness verification of our developed dislocation-based model.
DOI: 10.5286/isis.e.rb1810586
title: Probing the magnetic interface in Bi2Se3/CoFeB bilayers by polarized neutron reflectometry

description: Topological insulators (TIs) are quantum materials having insulating properties in bulk, but display gapless conducting surface states. These conducting surface electronic states are protected by time reversal symmetry. The spin of electron is locked to its momentum direction, which is the origin of the very high spin orbit coupling. These unique features make them potential for future electronic and spintronics devices.  Magnetic proximity effect is a way to induce magnetism into TIs through spin transfer at the interface via exchange coupling. The room temperature magnetism induction in TIs by proximity effect using different magnetic materials needs to be further explored. Polarized neutron reflectivity (PNR) is a depth sensitive technique to quantify the interface magnetism. Here, we propose the study of interface magnetism induced in Bi2Se3 by the ferromagnetic CoFeB by PNR.
DOI: 10.5286/isis.e.rb1810732
title: Uncovering the tension-compression asymmetry of low stacking fault FCC alloys at cryogenic temperatures

description: A certain type of alloys, with face-centered-cubic (FCC) structure and medium to low stacking fault energies (SFE), can trigger the formation of multiple twins (mechanical twinning), along with dislocation glide, when deformed, providing an exceptional strength-ductility combination at both room and cryogenic temperatures. Further understanding of mechanical twinning behavior will aid the design and development of new alloys. In this study, we aim to probe the tension-compression asymmetry upon cyclic loading at cryogenic temperatures of FCC alloys with low SFE (a high entropy alloy and a twin induced plasticity steel),  in order to reveal the origin of the pronounced Bauschinger effect and the feasibility of de-twinning in this alloy system.
DOI: 10.5286/isis.e.rb1810832
title: Combining Neutron Transmission and Diffraction for 2D Residual Stress Mapping of Cold-expanded Holes

description: Neutron transmission has been able to produce 2D residual strain maps around cold expanded holes with high resolution, but limited to measurement of the axial strain direction. For engineering studies it is the hoop strain direction that is of primary interest. Here we propose to extend the information obtained from neutron transmission to other dierections, by complement it with a few extra diffraction measurements. The hypothesis is that hoop and radial strain can be extrapolated from the axial strain results, and therefore 2D stress maps can be reconstructed. Neutron diffraction measurement on ENGIN-X is proposed to prove this hypothesis. The experiment will be useful for the development of the neutron transmission technique for strain and stress measurements, especially considering IMAT will be able to perform combined neutron diffraction and transmission experiments.
DOI: 10.5286/isis.e.rb1820030
title: QENS Analysis of Methyl Rotational Tunnelling in Functional Metal-Organic Frameworks

description: The development of decorated metal-organic frameworks (MOFs) is important for enhancing gas storage and mixed gas separation systems. This proposed QENS study will investigate the methoxy functional group (-CH3) behaviour in a MOF system and the changes it exhibits upon gas loading. The methoxy functionalised MOF, MFM-300(InOMe), is isostructural to parent, non-functionalised MFM-300(In) enabling the role of linker decoration to be easily attributed to the changes that we anticipate to observe. The proposed study aims to reveal the full nature of methoxy behaviour in an ordered crystalline system, focussing on the potential for methyl rotational tunnelling and how this phenomena changes upon gas loading by analysing the QENS data together with our prior MD, INS and IR studies.
DOI: 10.5286/isis.e.rb1820271
title: Muon Spin Relaxation study on Quantum Spin Liquid candidates Tm3Sb3M2O14 (M = Mg, Zn)

description: Quantum spin liquid (QSL) state is a state that spins are highly entangled and frustrated even at absolute zero temperature, which has attracted lots of attentions due to its potential application on quantum information and its relation to the mechanism of high superconductors in recent years. Muon spin relaxation (μSR) is a low-frequency probe of spin dynamics and is particularly sensitive to slow spin fluctuations; it is therefore ideally suited to studies of long-lived spin correlations in QSL candidates. We propose to permorm μSR experiments to study the ground state of QSL candidates Tm3Sb3M2O14 (M = Mg, Zn).
DOI: 10.5286/isis.e.rb1820293
title: Probing lithium diffusion in mechanochemically-synthesised ternary lithium halides LiAlX4 (X = Cl, Br and I) using muon spin spectroscopy.

description: In the current work, we study inorganic solid-state electrolytes for lithium-ion batteries. These materials, unlike the traditional liquid electrolytes, could lead to a breakthrough in battery lifetime and safety, since the use of flammable organic solvents is no longer needed. Our aim is to study the ways in which the ionic conductivity can be tuned and contribute to the understanding of the synthesis-structure-property relationships. We propose to perform MuonSR experiments on a series of LiAlX4 (X = Cl, Br, I) samples. Our interest is to asses the effect of both the mechanochemical synthesis and the varying polarizability of the anion framework (as a function of X). In order to obtain a definitive model of the crystal structure, we will also perform PND studies. These complementary studies will be of key importance to propose valid conduction mechanisms in our materials.
DOI: 10.5286/isis.e.rb1820483
title: Understanding the Structure Directing Interactions of Zeolite Synthesis through Template Molecule Vibrations

description: The vibrational spectrum of zeolite structure directing agent (SDA) 1,2,3-triethylimidazolium (TEI) when still confined in zeolites MFI and STF after synthesis will be measured using inelastic neutron scattering (INS). The efficiency of such molecules to template zeolite frameworks is strongly dependent on the non-bonding interactions between the SDA and the zeolite, not studied in detail previously. The proposal aims is to measure the strength of TEI interactions with two very different frameworks it is employed to template. Low energy vibrations such as methyl torsions and other vibrations in MFI (a network of intersected channels) and STF (more spherical shaped cages) will be studied. Recent NMR measurements and MD simulations suggest more conformational flexibility of TEI in the STF framework. We aim to complement these studies with INS data which may highlight this directly.
DOI: 10.5286/isis.e.rb1870016
title: Measurement of residual polarization and hyperfine transition rate in muonic hydrogen

description: This proposed experiment is a muon spin rotation measurement of the hyperfine transition rate in muonic atoms involving a proton or deuteron. The residual spin polarization of a negative muon in gaseous hydrogen will be also measured. The hyperfine transitions are of importance for muon-catalyzed-fusion and muonic atom spectroscopy. On the hyperfine transition rate in muonic protium, only theoretical predictions are known and no measurement had been performed. For a case of muonic deuterium, there is approximately 40% of discrepancy between the experimental result and theoretical calculation. In the proposed experiment, muon spin precession in a static transverse magnetic field will be observed. The precession frequency depends on the hyperfine states of a muonic atom. The goal of the experiment is a systematic determination of the hyperfine rate with the relative uncertainty of 1%.
DOI: 10.5286/isis.e.rb1870021
title: muSR Study on Magnetic Properties of Metallic MoO2

description: The main aim of thiis proposal is to investigate magnetic properties of MoO2. This system is one of molybdenium oxides, MoOx, which is widely applied for industrial purposes. The MoO2 shows the metallic behavior. The room-temeprature ferromagnetism has been reported in thin films. Due to those phenomena, MoO2 can be regarded as a good candidate for spintronics devices, photovoltanic power generation materials and high-capacitor of Li ions as batteries. Although it is well known that this system shows the metallic behavior, its mangeitc properties are still less studied because of small magnetic moments in the metallic state. We propose to investigate those unclear magnetic properties by muSR and try to reveal the predicted room-temperature ferromagnetism and its magetic ground state.
DOI: 10.5286/isis.e.rb1720444
title: Tuning confinement potential of spinons in an Ising chain using magnetic fields

description: The Ising chain realises the fundamental paradigm of spin fractionalization, where locally flipping a spin creates two kinks (spinons) that can separate away at no energy cost, very different from conventional three-dimensional ordered magnets where a local spin deviation propagates coherently as a magnon. In a quasi-1D system the mean-field effects of the weak 3D couplings confine the spinons into a rich structure of bound states, analogous to quark confinement into mesons. Here we propose to tune externally the confinement potential between spinons by means on a variable magnetic field along the Ising direction to explore how the bound states in the quasi-1D Ising ferromagnet CoNb2O6 evolve from the limit of very weak confinement (many bound states, energy separation scaling as field to power 2/3) to very strong confinement (only two bound states, energies linear in field).
DOI: 10.5286/isis.e.rb1800011
title: Muon spin relaxation after hydrogen absorption-desorption process in Pd

description: We propose zero-field muon spin relaxation (ZF-muSR) measurements in Pd AFTER hydrogen absorption-desorption process in order to clarify the mechanism to trap residual hydrogen. Our recent results on ZF-muSR and muon Knight shift measurements in Pd have newly revealed the existence of residual hydrogen stably trapped even after hydrogen desorption, because there is no muSR study which has been applied to the Pd sample which is AFTER the hydrogen desorption process. Pd samples with different temperature and hydrogen pressure conditions for the hydrogen absorption-desorption process are prepared to clarify the formation condition of stable residual hydrogen and its stability is examined by post-annealing.
DOI: 10.5286/isis.e.rb1800073
title: NTC 2018 Proposal Example 3

description: Please Ignore. This is just for setting up ERA's ready for the Neutron Training Course
DOI: 10.5286/isis.e.rb1800076
title: NTC 2018 Proposal Example 6

description: Please Ignore. This is just for setting up ERA's ready for the Neutron Training Course
DOI: 10.5286/isis.e.rb1800082
title: NTC 2018 Proposal Example 12

description: Please Ignore. This is just for setting up ERA's ready for the Neutron Training Course
DOI: 10.5286/isis.e.rb1810030
title: Reentrant Structural Transitions and Collapse of Charge and Orbital Orders in BiCuxMn7-xO12

description: A-site ordered quadruple perovskites, AA3B4O12, show many interesting physical and chemical properties, for example, inter-site charge transfer and disproportionation, giant dielectric constant, multiferroic properties, and high catalytic activity. Recently, we discovered other fascinating properties of quadruple perovskites when we introduced charge degree of freedom into the B site of BiMn7O12 through BiCuxMn7-xO12 solid solutions, which show very rich phase diagram and exhibit reentrant structural transitions and collapse of charge and orbital orders for a very wide composition range. Moreover, we found very complicated modulated structures. We propose neutron diffraction experiments to determine modulated crystal structures and magnetic structures of BiCuxMn7-xO12 solid solutions for different x values.
DOI: 10.5286/isis.e.rb1810100
title: Structure of protic ionic liquids mixed with formamide derivatives.

description: Mixtures of protic ionic liquids (PIL) and polar, protic molecular liquids (MLs) are attracting great attention. Due to the ionic nature of PILs and the role of hydrogen bonding (HB) on their structure, it can be expected that such MLs will largely affect their structure. We propose to use neutron scattering at SANDALS to explore the structure of two PILs mixed with formamide derivatives with 0, 1 and 2 amino methyl groups. The corresponding change in number of donor HB sites, together with the different ML polarities, is likely to affect PILs structure. These mixtures have not been explored so far, despite their potential importance, considering that the mentioned amides are widely used organic solvents and represent an interesting mimic system for peptides and PILs-based mixtures with such MLs are likely to have interesting applications in bio-related fields.
DOI: 10.5286/isis.e.rb1810189
title: Interplay of magnetism and superconductivity in the iron-based spin ladder BaFe2(S,Se)3 under the hydrostatic pressure

description: Iron-based superconductors (FeSCs) have been an essential research area in condensed matter physics.  Spins of iron sites forming a long periodic configuration, called the magnetic order, has been found strongly related to the  superconducting phase  in FeSCs. The superconducting phase  typically appears when the magnetic order is suppressed by applying pressure or doping carriers. The majority of the systems exhibit the same two-dimensional iron square lattice. The discovery of pressure-induced superconductivity in quasi-one-dimensional ladder compounds BaFe2X3 (X=Se,S)  introduces a novel structural prototype for unconventional superconductivity. This work is aimed to investigate the  magnetic order in the pressure-temperature phase diagram to understand the interplay between the magnetism and the superconductivity under the pressure by neutron diffraction technique.
DOI: 10.5286/isis.e.rb1810205
title: Ground and field induced states in the BaCo2As2O7 and  BaCo2(As3O6)2 1D chain compounds.

description: One-dimensional (1D) or two-dimensional (2D) topologies between magnetic ions generally favour strong magnetic anisotropy and offer exotic fundamental states and other phenomena such as field-induced transitions, quantum tunnelling magnetisation and/or magnetisation steps with potential applications for high-density storage. We have prepared BaCo2As2O7 and BaCo2(As3O6)2 compounds with 1D chains and magnetisation plateaus. The purpose of this proposal is to study the magnetic structure as a function of field. The use of WISH will provide a complete characterisation of the magnetic structures of these compounds. WISH is needed due to the complex incommensurate structure (BaCoAs2O7) and big unit cell (BaCo2(As3O6)22H2O) of the compounds, requiring good resolution and long d-spacing range.
DOI: 10.5286/isis.e.rb1810265
title: SANS Studies on Aggregate Structures of Peptide Amphiphiles

description: Peptide amphiphiles have special self-assembling behaviors and important aggregate properties, which make them have many potential applications both in vitro and in vivo. The aggregate structures of peptide amphiphiles strongly depend on the peptide sequence and alkyl chain character, and also are affected by some environmental factors (pH, temperature, salt concentration etc.). Our research will focus on the aggregate structures of a series of novel peptide amphiphiles or amino acid amphiphiles with different charges, as well as pay attention to the effect of environmental factors on the aggregate structures. Here, we request SANS beam time to obtain the essential structural characterization of the aggregates formed by peptide amphiphiles or amino acid amphiphiles, thus deeply understanding the self-assembly nature in such systems.
DOI: 10.5286/isis.e.rb1810399
title: Characterisation of Residual Stress Evolution due to Heat Treatment in Hot Rolled Ti-6Al-4V Plates using Neutron Diffraction

description: An EPSRC funded project has commenced in order to study the residual stress distribution of hot rolled Ti-6Al-4V alloy plate and the evolution of such stresses induced by heat treatments over a large elevated temperature range. This project involves both the measurement of residual stress and development of a computational model for the prediction of microstructure and residual stress evolution due to heat treatment. Two plate thicknesses subjected to three heat treatment conditions have undergone initial residual stress measurement by means of X-ray diffraction (XRD) and the contour method, allowing for surface and through-thickness evaluation of residual stresses. Residual stress measurement by neutron diffraction using ENGIN-X will be conducted to provide contour method measurement validation and model verification; further developing our understanding of residual stress evolution.
DOI: 10.5286/isis.e.rb1810401
title: Copy of: Dynamics of amyloid protein fibril elongation using isotope-labelled SANS

description: This proposal combines small-angle neutron scattering with novel deuteration strategies to investigate amyloid protein fibrils. Variations in dynamics of elongation and breakage underpin phenomena ranging from non-genetic heredity in yeast, to diseases such as Alzheimers, BSE and CJD. However, solution methods to monitor growth dynamics only give information on the overall % of material transformed from non-fibrillar to fibrillar forms. They cannot determine elongation rate directly, instead convoluting it with length distribution; and so cannot distinguish a few long fibrils growing quickly from many short fibrils growing slowly. We have developed a SANS approach to measure elongation rate, with isotope labelled ends growing on contrast-matched "seed" fibrils, demonstrated by proof -of-concept data on SANS2D in 2016. This proposal will enable us to finish the study, to allow publication
DOI: 10.5286/isis.e.rb1810872
title: Magnetic ordering in Co1/3NbS2, a frustrated triangular-lattice system

description: Amongst layered materials, transition metal dichalcogenides (TMDs) are studied extensively due to their complex phase diagrams exhibiting competing phases. Intercalation provides unique insight into the ground state of the TMDs, by changing the ground states already at low intercalation levels.  We propose muon spin rotation experiments in Co1/3NbS2, a novel intercalated TMD system exhibiting a rich phase diagram and a probable Kondo spin liquid state at high pressures. Whereas Co1/3NbS2 was originally found to order antiferromagnetically at 26 K, our specific heat, magnetization, and transport experiments show that the ordering possesses uncommon magnetically fluctuating and field-dependent properties with two separate ordering temperatures of T1= 26 K and at T2=23 K.
DOI: 10.5286/isis.e.rb1820026
title: Low-temperature incommensurate magnetic structure study of magneto-dielectric SrMn1-xWxO3 (X= 0.1625, 0.175) using neutron diffraction.

description: The interplay between spin, charge, orbital, and lattice degrees of freedoms in  SrMn1-xWxO3 (X= 0.1625, 0.175)  produce the charge and/or spin density waves (CDW, SDW)  modulated superstructure. Such structures, involving with magnetic states, provide an appropriate base for cross-correlation effects. An Incommensurately modulated CDW structure breaks the space-inversion symmetry, which gives rise to electric polarization and makes it the suitable candidate for multiferroic studies. In this proposal, we will study in detail the incommensurate magnetic structure of  SrMn1-xWXO3 compound for x= 0.164 and 0.175  at temperatures 300K, 210K, 150K, 80K, 50K, 25K and 5K using TOF neutron scattering at GEM beam line. We need 2 days of beam time.
DOI: 10.5286/isis.e.rb1820048
title: Modification of an adsorbed cationic layer by anionic surfactants below the CMC

description: In this proposal, we request beamtime to study the unexpected behaviour of a strongly bound bilayer of the cationic surfactant didodecyldimethylammonium bromide on the anionic mica surface in the presence of the anionic surfactant sodium dodecyl sulfate. This builds on previous work at ISIS where a cationic surfactant layer was found to be persistent to an extended wash with water and salt solutions, but upon exposure to sodium dodecyl sulfate at the critical micelle concentration the layer completely desorped from the surface. At concentrations below the critical micelle concentration however, the adsorbed layer was observed to thicken and it is the structure of the modified layer that is the focus of this proposal.