cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1820633
title: Applying neutron techniques to the earliest large hollow cast bronze statues from ancient Egypt

description: This study concerns the origin of large hollow casting technique. It is well known that hollow bronze casting using the direct lost-wax technique is an ancient Egyptian invention, but traditionally it has been thought that the indirect lost-wax technique was introduced later, by the Greeks. However, the results of recent studies on some smaller ancient Egyptian statues suggest the Greek invention of indirect lost-wax was pre-dated by several centuries, in ancient Egypt. In the proposed experiment we aim to use neutron imaging to study details of the production of three large hollow cast Egyptian statues, dated to the 9th-8th century BC. These statues have features that could suggest the use of the indirect lost-wax casting technique. This study will be fundamental to understand the development of the techniques used to cast large statues in ancient history.
DOI: 10.5286/isis.e.rb1910039
title: The magnetic structure of a perovskite like coordination polymer {[Cu(HCOO)3]H2N(CH3)2}n

description: This study is designed to identify relationships between structure and magnetic properties characteristic of coordination polymers (CPs). By determining the ground state 3D magnetic structure of {[Cu(HCOO)3]H2N(CH3)2}n, a CP exhibiting quasi-1D magnetism despite a 3D covalent structure, we will be able to address the factors that regulate the strength and nature of the super-exchange magnetic couplings, as well as correlation between the orientation of the magnetic moments and crystal-field anisotropy produced by the Jahn-Teller effect. To achieve this goal the unique information retrieved from powder neutron diffraction as a function of temperature will be compared with the results of DFT simulations, experimental charge density analysis, and magnetic susceptibility.
DOI: 10.5286/isis.e.rb1910207
title: Magnetic ordering in the layered oxide chalcogenides A2FeO3CuCh (A = Ca, Sr; Ch = S, Se)

description: This proposal is to measure the evolution of the magnetic structures of a series of iron oxide chalcogenides and compare the structures as a function of cation sizes and with related compounds with other transition metals. This is a highly modified resubmission of proposal RB1820445 following preliminary measurements on Sr2FeO3CuSe which prove the existence of long range magnetic order which is not evident from magnetometry measurements.
DOI: 10.5286/isis.e.rb1910520
title: Crystal field excitations on  a new triangular-lattice antiferromagnet

description: The magnetic properties and ground state of a new triangular-lattice antiferromagnetic candidate NdMgAl11O19 were studied by magnetization measurements and neutron scattering tehnique. The results of magnetization show strong easy-axis anisotropy perpendicular to Nd3+ triangular layer. Besides, the results of polarizarion neutron diffraction show that there is no magnetic ordering but a clear antiferromagnetic-like diffused scattering at 80 mK. It is likely that NdMgAl11O19 may possess a quantum-spin-liquid ground state. However, the details of the crystal field excitations on this material is still unclear. We propose to carry out inelastic neutron scattering measurements of CEF excitations on this new triangular-lattice antiferromagnet at high count-rate chopper spectrometer Merlin. We have prepared at least 5 g of powder for this measurement. We request 1 day of measurement time.
DOI: 10.5286/isis.e.rb1910524
title: Effect of Variation in Initial Crystallographic Texture of Aluminum Alloys on Residual Stress Stability in Fatigue Loading

description: Laser Shock Peening (LSP) improves the fatigue properties of new and damaged metallic components by introducing beneficial compressive stresses. The residual stress field that develop in the material after LSP and its behaviour in the service life depends on the microstructure and elastic-plastic properties of the material. The engineering components with variable microstructure and crystallographic texture when treated with LSP develop different residual stresses. In this experiment, we will underpin the deformation mechanism of aerospace alloys in LSP treatment. The LSP treated alloys with different initial crystallographic texture and microstructure will be used for investigation of the strains that develop in the LSP. The results will develop a meso-scale empirical model of stability of residual stresses in aerospace alloys, with various crystallographic texture, in fatigue loading.
DOI: 10.5286/isis.e.rb1910526
title: Gamma Dopplerimetry to Determine the Environment of Iodine in Halogen Bonded Monolayers on Graphite

description: The design of two dimensional materials assembled from molecular building blocks is dependent on understanding how molecules interact on surfaces. Whilst structural studies of physisorbed monolayers have shown a wide range of behaviour, understanding the bonding within these layers has proved elusive. In a previous experiment on VESUVIO, we showed that gamma dopplerimetry can be used to observe the iodine environment of a halogen bonded monolayer on graphite. In this proposal we wish to conduct further measurements on this system so these experimental results can be compared to simulations of the system.
DOI: 10.5286/isis.e.rb1910587
title: Probing Ligand Flexibility using Quasielastic Neutron Scattering

description: Transition metal catalysts are ubiquitous in the academic and industrial study and application of synthetic chemistry. The properties of these catalysts can be augmented by attaching different groups (ligands) to the metal centre, which change the properties of the resulting transition metal complex. However, the relationship between the structure of the ligands and the properties of the corresponding complex is often poorly understood. This is partly due to the very static view that chemists have of transition metal complexes. This proposal will use neutron-scattering techniques to investigate the flexibility of ligands commonly used for transition metal catalysts, and build a dynamic picture of how these ligands behave in solution, in the absence and in the presence of a transition metal.
DOI: 10.5286/isis.e.rb1610081
title: Coupling between magnons and phonons in multiferroic tellurides Co3TeO6 and Ni3TeO6

description: The tellurides, M3TeO6, were recently reported as multiferroic  The materials show complex behaviour with a series of commensurate and incommensurate antiferromagnetic phases below 60 K. In Co3TeO6, a dielectric anomaly is observed around 18 K, indicating a spontaneous polarization. Recent measurement at MARI gave good results, including signs of a low-energy spin wave cone. We intent to repeat this to obtain sufficient statistics and to measure a few additional temperatures to cover all magnetic phases. Ni3TeO6 shows commensurate antiferromagnetism but still strong magneto-electric coupling. Here, the MARI data showed clear magnetic excitations, including a peculiar signal at 10 meV, that we intent to study at higher resolution and at a few more temperatures. This study will elucidate the magnetoelectric coupling in the tellurides, and possibly a coupling between magnons and phonons.
DOI: 10.5286/isis.e.rb1610097
title: A neutron study of capability of aggregation of the Abeta1-40, Abeta1-42 and AbetapE3-42 peptides.

description: The aim of the proposed SANS experiment is to study the capability of aggregation, the shape and the size of aggregates of three amyloid peptides named (Abeta1-40, Abeta1-42 and AbetapE3-42). These peptides are involved in neurodegenerative pathologies, such as Alzheimers disease, Parkinson with dementia, etc. Beta-amyloid peptide chains under study are suspected to contribute to the disease processes because these molecules can aggregate to form soluble oligomers and insoluble fibrils, leading to tissue damage. We have performed SANS Xpress measurements on SANS2D with good preliminary results: the presence of AbetapE3-42 neo-formation aggregates, and the absence of aggregates for the Abeta1-40 and Abeta1-42.
DOI: 10.5286/isis.e.rb1610147
title: Effect of framework substitution on the thermal conductivity of skutterudites

description: Sustainable energy-conversion technologies are important for ensuring our energy supply against declining fossil fuel reserves. Thermoelectric materials offer great potential for the conversion of waste heat energy into useful electrical energy. As part of a collaborative research project, which seeks to implement thermoelectric energy recovery in automotive exhaust systems, we are investigating the structure and properties of skuterudites, which are materials with attractive thermoelectric properties. In the course of this work, we have discovered that isoelectronic substitution of cobalt with a 50:50 mixture of Fe and Ni in the CoSb3 skutterudite results in a marked reduction in thermal conductivity. The origin of this effect is not clear, and we seek to exploit inelastic neutron scattering to understand the evolution of vibrational properties with changing framework composition.
DOI: 10.5286/isis.e.rb1610190
title: Phonon density of states and atomic thermal displacement on the figure of merit of MgAgSb-based thermoelectric materials

description: Quite recently, the high thermoelectric performance has been reported in the MgAgSb-based half Heusler alloys. The ZT values close to 1 at room temperature with a maximum of ZT = 1.4 at 475K make them a possible candidate as room-temperature thermoelectric generator. But their crystallographic structure and dynamics are rarely known, except a structural study on impurity sample above the room temperature up to now. By virtue of our single phase samples, we hope that those MARI measurements will map out the PDOS softening and broadening with increasing temperature to justify the effect of anharmonicity and GEM measurements will to get isotropic mean-square displacement and even anisotropic thermal factors, as a function of temperature, to judge whether there exists the static and/or dynamic displacement, thus also test extensively the speculation of atomic relaxation in nanostructure.
DOI: 10.5286/isis.e.rb1610226
title: HD dynamics in filled ices prepared between 3 and 7 kbar

description: The proposing team has recently obtained important neutron scattering results on samples containing molecular hydrogen (sII and sH hydrogen-filled clathrate hydrates), measured on TOSCA, disclosing the quantum dynamics of the guest H2 molecules inside the host cages. This proposal aims to study HD in the new compound (named C0 filled ice) still formed by molecular hydrogen and water, but having a totally different crystal structure, analogous to that of alpha-quartz. This system, due to its high hydrogen content, might have a relevance for hydrogen storage applications. The molecular cross section of HD, in contrast to that of para-H2, is such that both the rattling and rotational bands will appear with marked intensity in the spectrum.
DOI: 10.5286/isis.e.rb1610409
title: The application of INS to investigate the methanol-to-gasoline reaction over ZSM-5

description: As part of a UK Catalysis Hub initiative in Catalyst Design involving a team of academic and industrial researchers, the methanol-to-gasoline reaction over zeolite catalysts is being investigated.  INS measurements of the catalyst post-reaction will supplement complementary synchrotron measurements, which will be further backed up by a series of characterization procedures undertaken at the academic centers.  A previous allocation of MERLIN beamtime (RB1320360) has established that INS investigations of this economically relevant reaction system can provide new information on the mechanistic concept of a hydrocarbon pool.
DOI: 10.5286/isis.e.rb1710330
title: Dynamical Perovskites

description: Hybrid perovskites, composed of an organic cation, inside a post transition metal halide framework, have emerged as simple, low cost solar cell materials, with power conversion efficiencies that are competitive with silicon. The structure of the most extensively studied perovskites, CH3NH3PbI3, has been shown to possess a number of subtle structural features, such ion migration and static distortions. Although its not clear what role these have on their photovoltaic effect. We propose to structural characterize two related systems to separate some of the structural parameters to gain a better correlation with the physical and structural properties.
DOI: 10.5286/isis.e.rb1720103
title: Spin-liquid ground state on the perfect kagome lattice in YCu3(OH)6Cl3

description: Although spin-liquid ground state (GS) of a quantum kagome antiferromagnet has been well accepted, its exact nature remains elusive. Partially, this is due to theory being unable to grasp the GS, partially, the reason is in kagome representatives that are inevitably imperfect. Therefore, in-depth investigations of novel kagome compounds are highly desired. We propose a muSR study of the recently discovered YCu3(OH)6Cl3 with a perfect kagome structure that so far lacks any sign of magnetic ordering. Importantly, contrary to the kagome paradigm herbertsmithite, it absences any appreciable anti-site disorder. The muSR study should provide a valuable microscopic probe to confirm the expected spin-liquid GS and to address its exact nature. Control measurements are planned on structurally similar Y3Cu9(OH)19Cl8 with slight distortion of the kagome lattice and magnetic order below TN = 2.2 K.
DOI: 10.5286/isis.e.rb1720137
title: Field-induced low-temperature phase in NaO2

description: Molecular solids like sodium superoxide NaO2 exhibit intricate magnetic behavior despite their simple chemical structure. This is due to the interplay of spin, orbital and lattice degrees of freedom which leads to intriguing effects related to reorientation of O2-molecular p orbitals. Multiple magnetic regimes were indeed observed in NaO2 in our previous NMR and muSR studies. Among other surprising findings is the discovery of a field-induced magnetic phase below 3 K if the applied magnetic field exceeds about 100 G. Here we propose to carry on the muSR investigation of the field-induced phase down to the lowest experimentally accessible temperatures. We expect that these measurements at temperatures where temperature fluctuations are minimized will provide invaluable information about the mechanism of the observed field-induced effect.
DOI: 10.5286/isis.e.rb1720178
title: Continued studies of the temperature-pressure phase diagram of BiFeO3

description: Bismuth ferrite is the most widely studied multiferroic material primarily due to the observation of both room temperature magnetic and electric ordering. Despite extensive studies the phase transitions as a function of temperature are still the subject of much controversy. Of particular interest are the structural pahse transitions as a function of both temperature and applied pressure. In our previous study on Pearl we demonstrated a Polar, R3c - Antipolar, Pbam - non-polar, Pbnm series of phase transitions with applied pressure. We would now like to extend our studies to investigation of the temperature/pressure phase diagram. It is hoped that these studies will provide further understanding of the complex tilt and displacement behaviour in this interesting material.
DOI: 10.5286/isis.e.rb1720198
title: Rattling-enhanced superconductivity in ScV2Al20 intermetallic cage compounds

description: Conventional superconductors are robust diamagnets that expel magnetic fields through the Meissner effect. It would therefore be unexpected if a superconducting state would support spontaneous magnetics fields. Such broken time-reversal symmetry states have been suggested for the high-temperature superconductors, but their identification remains controversial.  Our recent µSR study on the caged type R5Rh6Sn18 (R = Lu, Sc and Y) superconductors reveals TRS broken superconductivity due to strong spin orbit coupling. The interesting physical behaviour that is often observed in cage-type structures frequently originates from the so-called rattling effect. Recently Winiarski et. al. reported rattling-enhanced superconductivity in ScV2Al20 with Tc = 1.00 K. We propose to study the role of rattling mode in the superconducting state using ZF and TF muSR measurements on the MUSR spectrometer.
DOI: 10.5286/isis.e.rb1720212
title: Ancient Orichalcum ingots: simultaneous neutron diffraction and neutron resonance capture analysis at the INES beamline.

description: We propose simultaneous neutron measurements on the INES beamline aiming to characterize the composition in terms of phases and elements of a large set of ancient orichalcum ingots. They were found near remains of a ship and earthenware dated around the end of the VI century BC, and coming from the eastern Mediterranean and the Aegean sea. The analytical investigations will provide information essential to determine the metal composition in terms of phase and elements. We have in program to investigate the same samples with different techniques to obtain complementary information using GEM and IMAT.
DOI: 10.5286/isis.e.rb1720447
title: Probing the glass transition in polymers using LF muSR

description: Nearly all polymers form glasses and the glass transition at temperature Tg dominates many physical properties of polymers that are relevant for their applications. The most detailed previous muon studies of polymer glasses have been made in TF mode using diamagnetic muon probe states. This works particularly well in low Tg systems for probing Tg near the surface of thin films using low energy muons.  If Tg approaches or exceeds room temperature then fast diffusion of unbound diamagnetic muons forces a switch to bound paramagnetic muon probe states. LF muSR techniques will be developed here for polymer glass studies using the relaxation of the paramagnetic muons at both low LF and at ALC resonance points to probe the dynamical state of the polymer. The studies will focus on two polymers, the biocompatible polymer poly(L-lactide) (Tg=335K) and the low Tg polymer polybutadiene (Tg=170K)
DOI: 10.5286/isis.e.rb1720474
title: Insights into the dynamics of the first known purely hydride conducting oxyhydride material (La2LiHO3)

description: Oxyhydrides represent a new class of materials which is as yet poorly understood. The recent exciting discovery of the first purely hydride conducting oxyhydride is promising for the future of solid state electrochemical devices, as the high redox potential of Hydride ions (-2.3 V (H-/H2)) makes them very relevant for high energy density applications. Despite proving the existence of hydride conduction within these materials, there is currently no understanding of the microscopic mechanisms for the diffusion, which is crucial for developing future devices. Based on some preliminary muon measurements, we have proposed a set measurements to firstly determine the muon site within our material, and then probe the question of the precise mechanism for microscopic hydride diffusion.
DOI: 10.5286/isis.e.rb1810435
title: Study on the effect of polymer dynamics to the transport properties and macroscopic stiffening in polymer nanocomposites

description: We use inorganic nanoparticles grafted with polymers as membranes for gas separation. These membranes show remarkable enhancement in permeability as compared to the bulk polymers. Using such a template will enable the use of polymers that were not feasible for commercial applications, since this method solves some of the conventional problems - aging of the polymers (and a corresponding decrease in permeability) and increases mechanical strength. What we do not know is how the local dynamics of the polymers affect the gas permeation process and the unique stress response of the system. The key objectives of this proposal are - Understand how local polymer dynamics are manifested in the system. Understand the link between enhanced gas transport and dynamics. This experiment will enable us to understand the mechanism of gas transport and how to design better materials in the future.
DOI: 10.5286/isis.e.rb1810556
title: High-pressure structure of magnetite nanoparticles

description: One way in which nanoparticles may differ from bulk properties are in terms of their response to pressure, but at the present time there have been very few structural studies of nanoparticles under pressure. There is the possibility that nanoparticles will show different elastic properties under pressure. We are able to produce nanoscale magnetite, Fe3O4, reproducibly. We propose to study a range of nanoparticle sizes down to 5 nm of magnetite, and compare with bulk magnetite, up to pressures of around 10 GPa. Rietveld refinement will be used to characterise the volume and structure, with a focus on understanding the way that local coordination polyhedra change under pressure.
DOI: 10.5286/isis.e.rb1810616
title: Structure of Confined Salivary Films

description: Lubrication by saliva is a key factor in oral health and food consumption. It is know that salivary lubrication is mediated by the thin proteinaceous film i.e., the pellicle, which forms on any surface upon adsorption of saliva. However, the mechanisms behind the extraordinary lubricating performance of saliva remain unknown. While structural studies of adsorbed salivary films have given some insight into this aspect, the fact is that very little is known on the structure of confined salivary films, i.e. the really relevant system in the study of salivary lubrication. We propose to study this system by means of neutron reflectivity employing a recently developed surface force type apparatus that allows the investigation of confined thin films.
DOI: 10.5286/isis.e.rb1810815
title: Evaluation of residual stresses in cold sprayed titanium alloy for repair applications

description: Aircraft structural components are complex and expensive due to their manufacturing process complexities and use of high-performance materials. Aerospace components are susceptible to in-service damages, such as wear, dents, corrosion pits, and cracks; caused by corrosion, fatigue loads, foreign object damages, etc. In most cases, repair or re-manufacturing is a more feasible and economical solution than replacement. Re-manufacturing of aerospace components may deliver significant financial savings between 30-70% of the cost of replacement. However re-manufacturing process namely cold spray, in this case, induces significant residual stresses that has implications on the structural integrity of the part. This proposal aims to characterise these stresses as a function of the spraying process in order to better understand its effect on the structural intergrity and damage resistance.
DOI: 10.5286/isis.e.rb1820014
title: Concentration dependence of Zr-Be glassy dynamics as seen by neutron Compton scattering.

description: In our research programme, we have concentrated on tackling the problem of the short-range order in the Zr1-xBex alloys (x = 0.3, 0.4 and 0.5).  Our research methodology includes the measurement and modelling of vibrational excitations, including the recoil excitations accessed by the neutron Compton  scattering (NCS). Interestingly, our data have shown, inter alia, that two of the alloys (x=0.3, 0.4) are superconductors.  Moreover, the thermal stability of the amorphous Zr1-xBex alloys was studied using differential scanning calorimetry (DSC) in a wider concentration range 0.3 &lt; x &lt; 0.65. Recently we have extended our methodology to the glassy state. Within the remit of this extended research programme, in this proposal we are planning to investigate the dependence of the kinetic energy of Zr and Be