cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1620290
title: Single crystal study of a-RuCl3, a quantum magnet on a honeycomb lattice

description: a-RuCl3 is a honeycomb lattice system which is thought to be close to a spin liquid state.  The layers are weakly coupled and therefore the system is susceptible to stacking faults (though there are conflicting reports of the nature of these stacking faults).  We have previously studied a powder sample of a-RuCl3 with muons and found two precession signals that are associated with two different transition temperatures.  This proposal is to repeat the experiment but with a single crystal sample which is known to exhibit different magnetic properties and a lower transition temperature.  It is thought that the number of stacking faults can be controlled by stress so we will also attempt to measure crystals in both the pristine state and after having applied mechanical stress.
DOI: 10.5286/isis.e.rb1620303
title: Interaction of a pH-sensitive Polymer with a Model Lipid Membrane in the Form of Unilamellar Vesicles as Studied by SANS

description: This SANS experiment was proposed by 4 PhD students from 3 different institutions in a Marie-Curie Training Network. They are all in the second year of their PhD and their individual research has come to the common point where they all wish to understand how a membrane lytic copolymer interacts with lipid membrane bilayer. As they all have acquired extensive skills in unilamellar vesicles they request 3 days of SANS2d beam time to examine how the copolymer interacts with the vesicular membranes under different pH conditions. As this is the first time SANS is used for structural studies, it is useful to explore the concentration of the vesicles and polymer suitable for the SANS measurements at the start. This work will provide valuable molecular insight of modes of actions of the copolymers to different membranes
DOI: 10.5286/isis.e.rb1700008
title: Antibiotic Interactions with models of the Gram negative bacterial outer membrane under physiological conditions
DOI: 10.5286/isis.e.rb1710007
title: Investigating the magnetic ground states in complex manganese based oxides

description: The geometric frustration, combined with other parameters like the net quantum spin state (1/2, 1 or 3/2) is expected to give rise the exotic magnetic ground states such as the spin-glass, spin-liquid and spin-ice in ordered double perovskites (ODPs). Besides so many studies on geometrically frustrated magnetic states in ODPs, it is yet not clear that whether such frustrated magnetic states are unique to ODPs or can be realized in disordered perovskites too. We have recently synthesized the chemically disorder SrMn0.5Ti0.5O3, SrMn0.80W0.20O3 and chemically ordered SrMn0.70W0.30O3 to explore the nature of magnetic ordering taking place at low temperature. This study will be useful in understanding the correlation between unusual magnetic ground states and chemical ordering.
DOI: 10.5286/isis.e.rb1710030
title: Photocrystallography in retinal

description: Retinal plays a key role in visual perception. In the ground state it occurs in the cis form with a bent side chain, whilst after light exposure it assumes the trans form with the methyl groups on one side and the side chain straight. Laboratory X-ray data collections are a bit challenging due to radiation damage. More than half of the atoms are hydrogen. We have established a protocol to load samples cold into the top loading CCR and found that crystals remain stable under He atmosphere at room temperature. This opens the possibility to do a multi temperature data collection using neutrons and study the protons in both forms. We plan to collect data at 4.5K, 50K, 100K, 200K and 300K and then monitor the cis to trans transformation at 100K under light exposure on the beamline. We ask for 6 days of beamtime on SXD equipped with a top-loading CCR. Light exposure will be done using diodes.
DOI: 10.5286/isis.e.rb1710196
title: Rheo-SANS on calcium caseinate under shear and heat

description: Producing meat analogue instead of real meat is one effective way to reduce carbon emission and improve animal welfare. Calcium caseinate is a prominent candidate for making a meat analogue. Calcium caseinate is rheomorphic and contains four protein fractions that will associate into micelle-like structure. The association behavior of caseinate in solution is balanced by hydrophobic and electrostatic interaction, as well as steric repulsion. This balance is highly susceptible to temperature and shear, indicating it will respond differently to temperature and shear rate variation. These differences can be very well captured by Rheo-SANS. By measuring rheological data in parallel with SANS, the bulk behavior of the caseinate solution can be connected directly to changes happening in the microstructure in nanometer length scale.
DOI: 10.5286/isis.e.rb1710213
title: Probing the thickness of the polymer adsorbed layer in HEUR stabilized oil in water emulsion as a function of concentration, molecular weigh

description: Oils are commonly used in personal care industry as emollients. Owing to their undesirable feel they are formulated in oil in water emulsions form.  Emulsions contains emulsifying agent (e.g. surfactant) to solubilize and stabilize the oil droplet in the formulation as well as thickening agent to provide the consistency of the formulation. The end-capped hydrophobically modified urethane−ethoxylate (HEUR) polymers have hydrophobic end chain from both sides, which tend to form micelles in solution. These self-assembly polymer can be used as a model multifunctional additives as it solubilize and stabilize the oil droplets in the emulsion as well as their thinking properties. Here we are studying the thickness of the polymer layer stabilizing the oil droplet as a function of the polymer molecular weight, carbon chain length and concentration.
DOI: 10.5286/isis.e.rb1710337
title: Magnetic Transition in Li-MeNH2

description: Previously we completed an experiment on ARGUS to determine the extent of magnetic transitions in Li(MeNH2)4. This experiment was designed to overcome sample environment problems we encountered on EMU in utilising muons to examine cryogenic, air-sensitive systems. The ability of ARGUS to provide high momentum muons enabled us to accurately prepare a sample of Li(MeNH2)4 off-site in a sealed quartz container  rather than in situ condensation of MeNH2 gas into metallic cans which had proven extremely difficult on EMU. Unfortunately, due to problems with the cryostat and tuning of incident momentum, we were only able to record data at a few temperatures. We were able to determine a sharp transition between 10-15K. This proposal aims to finalise this study, and reconcile differences in data collected on ARGUS and EMU.
DOI: 10.5286/isis.e.rb1710339
title: quantitative dark field imaging using Larmor labelling

description: We will determine whether a neutron technique called dark field Lamor imaging can provide quantitative information about the spatial distribution of small inhomogeneities in materials. Future applications might include studies of inaccessible pores in oil-bearing rocks, jamming in the flow of particulates (such as grain in silos), extrusion of polymer blends during manufacture, desirable or undesirable particle segregation or aggregation in additive manufacturing  (3d printing) etc. In all of these cases neutrons may have advantages over other radiographic probes because of their sensitivity to hydrogen-containing molecules.
DOI: 10.5286/isis.e.rb1710402
title: INS as a dual-probe of giant magnetic anisotropy and vibrational density of states in a Ni-based single-ion magnet

description: Monometallic complexes of paramagnetic transition metal or lanthanide metal ions have found to exhibit single-molecule magnet (SMM) behaviour with an appreciably enhanced magnetic anisotropy, due to stabilisation of an unquenched orbital moment. The understanding and controlling of their magnetic anisotropy and relaxation dynamics is fundamental for the engineering of better performing single-molecule magnets. Recently a Ni(II)-based single-ion magnet has been found to exhibit an unprecedented magnetic anisotropy. We propose to use MARI spectrometer to directly measure the single ion zero field splitting responsible for the slow relaxation of the magnetization of this new Ni-based single ion magnet. We will also measure the phonon density of states to better understand the detalis of its relaxation of the magnetization.
DOI: 10.5286/isis.e.rb1710475
title: Kinetics of Benzene Hydrogenation Revisited in the Presence of Excess Liquid

description: Heterogeneous catalysis, where the reagents are either contained in a liquid medium, or are liquids in their own right, plays a significant part of the chemical industry. These catalysts typically utilise a porous solid support or framework within which the active metal catalyst particles are embedded, and the liquid is so confined in the same pores.  Probing the kinetics of the underlying reaction(s) in such systems is key to designing new and improved catalysts, but few experimental techniques are able to prove the confined liquid.We have recently shown that neutron scattering can reveal the kinetics of the underlying processes. However, in our proof-of-principle study  liquid only existed in the pores of the material, whereas in the real process an excess of liquid would be present. We therefore aim to further our understanding by repeating the study under an excess of liquid.
DOI: 10.5286/isis.e.rb1800025
title: Tailored interfacial properties of battery electrodes

description: Consisting of a positive and negative electrode, conventional batteries undergo a range of static and dynamic processes that originate at the electrode surface. As such, controlling the chemistries that take place at these highly-reactive surfaces is paramount to developing high-performance battery technologies capable of high reliability, extended cycle life, and increased safety metrics. The works proposed herein are targeted at developing unique surface treatments/architectures that will facilitate improved cycle efficiencies for silicon and tin based anodes by mitigating parasitic reactions that occur at the electrode surface throughout normal charge/discharge operation.
DOI: 10.5286/isis.e.rb1410310
title: The Effect of Closure Weld Thermal Cycles on the Evolution of Residual Stresses at the Dissimilar Metal Weld-buttering Interface of Forged C

description: Cr-Mo steel forgings are used in oil and gas components to provide flow control and protection against over-pressure. Joining forgings to flow line requires 2 steps: Dissimilar metal weld-buttering layer deposited to forging in-shop followed by post-weld heat-treatment (PWHT); then a closure weld is made in-field joining the weld-buttered layer to pipe steel and no PWHT is done. As PWHT is completed in step 1 reducing residual stress, further thermal cycles from closure weld will increase stress at the forging-weld-buttering interface. Studies report failure at interface from damaging microstructure and hydrogen up-take. However, quantification of residual stress at the interface was not studied, nor contribution to cracking determined. This proposal aims to quantify the effect of closure weld thermal cycles on the evolution of residual stresses at the forging-weld-buttering interface.
DOI: 10.5286/isis.e.rb1500017
title: Methane Hydrate formation in the confined nanospace of metal-organic frameworks
DOI: 10.5286/isis.e.rb1510156
title: A uSR Study of Non-Centrosymmetric Superconductor Re6 Hf

description: In conventional superconductors gauge symmetry is broken, while in unconventional superconductors other symmetries may also be broken. There has recently been a great deal of interest in noncentrosymmetric superconductors (NCS) due to the complex nature of their superconducting properties. The lack of inversion symmetry in these materials induces an antisymmetric spin-orbit coupling which can lift the degeneracy of the conduction band electrons and may cause the superconducting pair wave function to contain a mixture of singlet-triplet spin states. This mixed pairing can led noncentrosymmetric superconductors to display significantly different properties of that of conventional superconducting systems
DOI: 10.5286/isis.e.rb1510175
title: A µSR study of a heavy fermion multiband superconductor, TlNi2Se2

description: Recently the compound TlNi2Se2 has gained interest as a potential playground of unconventional superconductor effects.  Heat capacity and magnetization measurements hint at the possibility of d-wave pairing symmetry for the Cooper pairs, which would be an important discovery, providing a bridge between the heavy-fermion superconductors and the extremely technologically relevant high-Tc cuprate materials.  The system also appears to be multiband with two superconducting gaps.  Muon spin rotation measurements are vital in order to confirm these initial observations, and make accurate measurements of the penetration depth, gap symmetry and magnitude, and determine if time reversal symmetry is preserved.
DOI: 10.5286/isis.e.rb1510249
title: Spin excitation as a probe of electron  correlation strength in over doped BaFe2(As0.3P0.7)2

description: Evidence is building that iron pnictides inhabit the mostly unexplored ¿intermediate¿ region of electronic correlation strength, which is neither very weak coupling, nor strong coupling, as occurs in the undoped copper oxides. Recently, a combined DFT and DMFT theory may provide a realistic approach to describe the partially itinerant and partially localized electrons. In this theory, pnictogen height controls the strength of electron correlations which is inversely proportional to the spin excitation bandwidth. As a unique system with isoelectronic doping (maximum TC=30K), P substitution almost does not induce substantial impurity with a continuous reduction of pnictogen height with doping.  Therefore we propose 8 days beamtime on MERLIN/MAPS to study the spin excitations in over-doped BaFe2(As03P0.7)2 to compare the results of charge doped Ba122 compounds and test this theory directly.
DOI: 10.5286/isis.e.rb1510403
title: Purothionin binding to model fungal lipid membranes

description: Purothionins and defensins are basic, amphiphilic, cysteine-rich and low molecular weight plant defence proteins. These proteins are active against a broad range of phytopathogenic fungi, andcan be potentially exploited both in terms of environmentally friendly plant fungicides and as future human therapeutic agents. The aim of our research is to investigate the mode of binding of these proteins to model fungal lipid bilayers. We propose to carry out neutron reflectivity experiments at the solid/liquid interface to investigate the influence of membrane unsaturation and the presence of sterols on protein binding, as well as kinetics of protein adsorption. The findings from the NR studies will determine quantitatively the protein-lipid interfacial layer structure and will enable the differences in the proteins' mode of action at membrane surfaces to be investigated.
DOI: 10.5286/isis.e.rb1510427
title: The structure and orientation of the Bam complex in the Gram-negative outer membrane

description: The proteins of the outer membrane of Gram-negative bacteria are critical for bacterialsurvival, from providing basic physiological functions, to aiding virulence and multidrugresistance. The Bam complex has been found to be essential for folding these proteins intothe outer membrane. The process by which this is achieved is unknown. Key to thisunderstanding is the knowledge of the structure of the complex and its individualcomponents. We aim to continue our investigation of the Bam complex by studying the complete BamABCDE complex and in particular identify how the individual components are organised on the membrane surface. To do this will use neutron reflectometry and specific deuteration to probe the structure of the Bam complex in a model E.coli outer membrane and elucidate the scaffolding of this essential complex on the membrane surface for the first time.
DOI: 10.5286/isis.e.rb1510550
title: Structural characterization of a fully detuterated manganese Prussian Blue analogue

description: The aim of this proposal is to perform a neutron diffraction determination of the first perdeuterated Mn-Prussian Blue (PB) analogue of composition: Mn(II)3 [Mn(III)(CN)6]2 ¿(D2O)6.xD2O (x = 6-10) . Air-stable, cubic crystals of ~1.5 mm edges suitable for measurements on the instrument SXD, have been recently obtained by in-gel crystallization. A preliminary characterization has shown a magnetic ordering temperature around 30K, therefore we ask for a total of 8 days of beamtime on SXD in order to determine the structure of this compound at 50 and at 15K, i.e. above and below the magnetic transition.
DOI: 10.5286/isis.e.rb1510564
title: High pressure phase transition in copper guanadinium formate

description: The family of guanidinium metal formates has the perovskite structure and, like many perovskites, is of interest for these materials' magnetic and electric properties, in particular the possibility of multiferroicity. The phase diagrams of these compounds, however, remain largely unexplored. We have recently (RB1410586) collected PEARL data that demonstrate two different high-pressure phases in members of this family. However, although we have successfully solved the structure of one of these, the high-pressure phase of copper guanidinium formate has a large unit cell with low (apparently monoclinic) symmetry, causing substantial peak overlap and preventing us from solving the structure. We therefore propose to take advantage of WISH's optimisation for long d spacings to measure low-angle data and hence complete our characterisation of this new phase.
DOI: 10.5286/isis.e.rb1520472
title: Tuning cycloidal ordering by epitaxial strain in BiFeO3 thin films

description: Owing to their promising applications, especially in spintronics, multiferroics have been at the fprefront of condensed matter research for a number of years. In these materials, ferroelectric and antiferromagnetic orders are strongly coupled, the so-called magneto-electric (ME) coupling allowing the reversal of the ferroelectric (FE) polarization by a magnetic field or the control of the magnetic order parameter by an electric field. For creating functional devices, thin films operating at room temperature are a must. BiFeO3 (BFO) is perhaps the most famous example and is the object of this proposal. Following our recent work tuning the complex magnetic structure in BFO by misfit strains, in particular by destabilizing the bulk-like cycloid modulation, we would like to study the modification of magnetic structure through high resolution neutron scattering on strained BFO films.
DOI: 10.5286/isis.e.rb1561018
title: Test of a new thermal neutron GEM detector based on a 3D cathode
DOI: 10.5286/isis.e.rb1600051
title: In situ study of the intercalation and exfoliation of black phosphorous
DOI: 10.5286/isis.e.rb1620046
title: Adsorption of Fab and Fc from monoclonal antibody at the oil/water interface

description: Following our previous study of adsorption of globular lysozyme and BSA,  we continue to explore how different globular proteins adsorb at the oil/water interface by neutron reflection. Inter is preferred because we have built technical capability on this instrument. Fab and Fc are the constituents of a full mAb and we propose to study their adsorption before the whole mAb. Our specific aims are to (a) determine the actual thickness and volume fraction of Fab and Fc and (b) the effect of pH on the interfacial distribution. The results will enable us to compare their extent of distributions into the oil region with other globular proteins at the interface. The results will enable us to answer if all the globular proteins unfold and produce characteristic segment distributions into the oil region. This work will form the basis for us to study the adsorption of different antibodies.
DOI: 10.5286/isis.e.rb1620061
title: Muon spin rotation studies in Ni-Mn-Sn based metamagnetic shape memory alloys showing multiple magnetic transitions

description: Ni2Mn1+pZ1-p (Z= In, Sn, Sb and &lt; p 1) based ferromagnetic shape memory alloys (FSMAs) with Heusler type structure are fascinating materials as far as the magneto-functional properties are concerned.  The magnetic states of the alloys are quite intriguing and there are controversies regarding the true nature of the magnetic ground state. A prototypical sample with multiple magnetic transitions and very rich phase diagram is Ni2.04Mn1.4Sn0.56 , which we have recently studied by magnetic measurements [Appl. Phys. Lett. 105, 112407 (2014)]. It is quite pertinent to know the exact nature of the magnetic state between these multiple transitions points, particularly whether they is a  long range ordered state, disordered magnetic state or a mutually coexisting state of ordered and disordered phases and a muSR study (both ZF and LF) is proposed on EMU to unveil the magnetic state.
DOI: 10.5286/isis.e.rb1620065
title: Characterisation of Lithium-ion battery cathode material LiCoMnO4 as prepared by novel low temperature synthesis route

description: LiCoMnO4 is a spinel material of great interest for possible applications in the next generation of lithium-ion batteries. LiCoMnO4 exhibits electrochemical activity at 5 volts, but samples also often exhibit a small but deleterious capacity at 4 volts.Our work shows this is likely due to (i) oxygen deficiency or (ii) the presence of a small amount of secondary phase, Li2MnO3, which is difficult to observe in lab X-ray analyses. In either case, the defect is likely due to the high temperature synthesis route typically used.We have developed a new low temperature, low cost and fast synthetic route that should avoid these issues, while also producing nanoparticles ideal for battery work. We urgently need to characterise the materials developed by this new route, with particular focus on Li,O contents, atomic positions and thermal parameters.
DOI: 10.5286/isis.e.rb1620086
title: Local structure of bulk and nanocrystalline Chromium

description: We plan to study the coupling between magnetic properties and local structure of polycrystalline and nanocrystalline chromium. Chromium undergoes a magnetic ordering transition at ~311 K, and a spin-flip transition at ~122 K, but previous studies have not provided convincing evidence for any long-range structural changes being associated with these transitions. We therefore turn to neutron pair distribution function analysis which will allow us to probe the local structure of the materials at a range of temperatures spanning the magnetic transitions, and therefore to correlate any observed changes with the magnetic properties. The insight gained from this study will be of fundamental interest due to chromium's role as a model magnetic material, and any differences observed between the bulk and nanosized metal will further extend understanding of the effects of particle size on magnetism.
DOI: 10.5286/isis.e.rb1620091
title: Phase behaviour in double substituted lanthanum manganate MIECs

description: Bismuth and iron/nickel substitution in lanthanum manganese oxide yields materials showing mixed ionic-electronic conductivity and are being investigated as cathode materials for solid oxide fuel cells. While low levels of substitution by bismuth and iron or nickel yield a structure of apparent rhombohedral symmetry, detailed investigation by transmission electron microscopy shows two different crystallite types. At higher levels of substitution an orthorhombic symmetry is adopted with evidence of diffuse scattering, characteristic of local ordering. The present proposal seeks to clarify this phase behavior through a combination of high-resolution neutron diffraction and a total neutron scattering study of oxide ion distribution and local ordering in these systems.