cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1520470
title: Temperature Effects in YIG Films Probed by PNR

description: Yttrium iron garnet Fe3Y5O12 (YIG) is the material of choice in spin pumping, spin Seeback and Spin Hall magnetoresistance (SHMR) measurements [1-3]. This is mainly due to two properties: a) YIG is a wide band-gap insulator, so it has no free electrons to contribute to the thermal conductivity in the Seebeck effect and b) YIG has a very small Gilbert damping (~10-4) with a narrow resonant peak. The best characteristics are obtained for films grown epitaxially on gadolinium gallium garnet (GGG) substrates.However the Gd from the GGG substrates is know to diffuse into the film.  Our objective here is to determine the location of the Gd diffusion and its affects on the magnetic structure of the film. This diffusion is suspected to result in a magnetic dead layer at the bottom and/or on the top of the sample or different regions within it.
DOI: 10.5286/isis.e.rb1561024
title: Neutron diffraction characterization of pattern-welded Viking swords
DOI: 10.5286/isis.e.rb1580000
title: Rosseinsky Programme Access
DOI: 10.5286/isis.e.rb1220454
title: Magnetic Excitations in  Low-dimensional Antiferromagnet KFe2Se3

description: The proposal aims to measure the powder averaged magnetic excitations in KFe2Se3.  The compound is related to the recently discovered Fe-Se,As superconductors and is based upon ladders of Fe atoms.  The results will be compared with other experiments we have (and or collaborators) have performed on FeSe based materials.
DOI: 10.5286/isis.e.rb1500029
title: Intensity modulation from entangled spin states for new applications in soft matter, imaging and magnetism
DOI: 10.5286/isis.e.rb1510368
title: Investigation of crack nucleation in superalloys using advanced neutron methods

description: It is proposed that crack nucleation will be investigated at ISIS using the EnginX beam line with the IMAT imaging detector. Notched LCF specimens with varying materials and Kt factors will be used. Imaging will be combined with strain measurements to provide an insight into how different materials and Kt factors affect crack nucleation. This is of significant interest to industry when trying to improve the life of components.Aims and objectives:1) To investigate crack nucleation in selected superalloys by imaging crack nucleation and measuring strain around a notch during fatigue testing.2) To investigate which materials are notch sensitive and how this effects crack nucleation and strain distribution.
DOI: 10.5286/isis.e.rb1520058
title: The impact of added particles and surfactant on HEUR thickener solution structure

description: Paints are typical formulated products. The paint consists of many different components - pigments, thickeners, surfactants - each of which has a specific function. The physical properties of each of these components introduces a beneficial character to the product, however interactions between the various components often leads to a degradation of that preferred characteristic. This project focuses on quantifying the interactions in these complex systems to try to understand how competitive or synergistic interactions define the character of the overall dispersion, but most importantly under conditions that the formulation is assembled and used.
DOI: 10.5286/isis.e.rb1520253
title: In situ neutron diffraction study of the iron electrode for secondary batteries

description: Iron as a negative electrode for the alkaline battery is interesting because it could theoretically deliver up to 962 mAh/g, it is inexpensive and it is one of the most abundant elements on earth.The idea to use iron as an electrode has been considered, however, a feasible system has yet not been proposed since issues related to long term efficiency still exist. In order to understand reaction prodcuts of iron oxidation/reduction in alkaline media during battery cycle, we would like to use the electrochemical cell previously used to characterise Ni-based electrode materials.The use of in situ neutron diffraction measurements will allow us to track deuterium atoms within the electrode structure(s) as a function of charge-discharge cycles and, therefore, extract relevant information to understand the electrochemical performance of the electrode.
DOI: 10.5286/isis.e.rb1600023
title: Examination of Free Floating Models of the Gram-Negative Bacterial Outer Membrane with Differential Leaflet Mixing
DOI: 10.5286/isis.e.rb1600029
title: Total Scattering Study of the Local Structural Arrangement of (O4D4) in Katoite
DOI: 10.5286/isis.e.rb1600030
title: A PDF study of oxygen excess in FeSb2O4-related phases
DOI: 10.5286/isis.e.rb1520046
title: Is Zeolite Deactivation Through Pore Blocking?

description: Zeolites are porous framework materials that have active catalytic sites inside narrow channels. Unwanted  reactions create coke in the pores which may block access to the active sites. We want to use quasielastic neutron scattering measurements to determine how a model reactant moves in pores with different amounts of coke. This will demonstrate how coke affects the access of the reactant to the active sites and help in designing more robust catalysts for cleaner fuel production.
DOI: 10.5286/isis.e.rb1520162
title: Thermal expansion and phase transitions of Na2MoO4

description: Many simple AB2O4-type compounds exhibit a surprising degree of polymorphism as a function of pressure and temperature; between room temperature and its melting point at 960 K, sodium molybdate forms four different crystal structures. Despite many years of study using X-rays, the diffraction pattern of the beta-phase (stable from 720 - 860 K) has been indexed with two very different orthorhombic unit cells and one other group could not match their data with either of these two interpretations. We hope to resolve the identity of the beta-phase using neutron powder diffraction, to refine the structures of the other phases to 10x higher precision than has been achieved previously, to better characterise the disorder in the delta phase, and to measure the thermal expansion of the three higher temperature polymorphs for the first time.
DOI: 10.5286/isis.e.rb1520300
title: In Situ Measurement of the Spin Seebeck Effect

description: The spin Seebeck effect is a newly discovered phenomenon that if harnessed, could result in a significant improvement of the efficiency of thermoelectric energy generators. Spin polarised neutron reflectivity will provide us with complementary measurements that enable determination of the spin polarisation of the film as well as surface sensitive magnetic ordering and disorder at the interface. This is especially important as the influence of the interface (i.e. the magnetic proximity effect) is still not well understood. We propose using PNR in conjunction with a sample environment developed by Jos Cooper in order to investigate the magnetic structure (as a function of depth), whilst measuring the generated spin Seebeck voltage.
DOI: 10.5286/isis.e.rb1520384
title: Probing the nuclear and magnetic structure of a complex ferromagnetic semiconductor

description: Understanding the structures of complex materials is key understanding their properties. Here we wish to determine the structure, both atomic and magnetic, of a complex ferromagnetic semiconductor in order to understand it's physical properties.
DOI: 10.5286/isis.e.rb1520405
title: Magnetoelectric coupling in complex systems

description: Coupling ferromagnatism and ferroelectriocity in a single phase material at or near room temperature has significant potential for the development of hybrid memory combining the best features of conventional magnetic RAM and ferroelectric FRAM. However such materials have proved elusive. Recently we reported materials were these two properties could be coupled via a third distortion in the structure of iron based Ruddleden Popper phases.  However the details of this coupling are still unclear. Here we aim to exploit the high resolution of the entire diffraction pattern of WISH to investigate the detail of this mechanism.
DOI: 10.5286/isis.e.rb1520481
title: Templeton and Templeton scattering in magnetic neutron diffraction of LiFePO4

description: The appearance of scattering in space group forbidden reflections due to anisotropy of scattering amplitude is well known in X-ray diffraction (Templeton and Templeton scattering). This phenomenon creates the basis for an extremely powerful experimental technique to study anisotropy of electronic density imposed by asymmetric crystal field or orbital ordering. Theory of atomic multipoles is the most general tool to describe the phenomenon and using this approach we showed that the analogue effect should also be expected for magnetic neutron scattering due to anisotropy of spin density. Experimental confirmation of this idea is, therefore, the main purpose of the proposed experiment.
DOI: 10.5286/isis.e.rb1661000
title: Tests for urgent assessements of charcteristics of an innovative GEM neutron detector
DOI: 10.5286/isis.e.rb1510258
title: Dispersion of Alkylated graphenes in non-polar solvents

description: Graphene, a new class of two-dimensional carbon structure, has attracted much attention as a material with unique physical and chemical properties.  The aim of this proposal is to characterise alkylated graphenes at interfaces for the first time with the aim of accessing its application as a new surfactant and in particular as an oil lubricant additive.
DOI: 10.5286/isis.e.rb1520052
title: INS study of double perovskite at the border between two and three dimensional magnetism

description: Sr2CuWO6 is a double perovskite at the border between two and three dimensional magnetism, with a square lattice of S=1⁄2 Cu(II) ions. This proposal aims to use inelastic neutron scattering to investigate the spin wave excitations (below T_N) of the system, and to find out how the excitations evolve as a function of temperature across T_N. Results will be compared against electronic structure calculations for the exchange interactions.
DOI: 10.5286/isis.e.rb1520085
title: Depth-resolved magnetism in ferromagnet/heavy-metal thin films: influence of atomic diffusion on spin-mixing conductance

description: This project aims to investigate the diffusion of tantalum in an amorphous magnetic layer, and the influence of this diffusion on magnetism both through the thickness of the magnetic layer and at the interface with heavy-metals platinum, iridium, tungsten, and tantalum. These structures are typical of those we are using to investigate the spin-Hall effect, a mechanism which can provide highly efficient manipulation of local magnetism required for future magnetic data storage and digital logic applications. To study the spin-Hall effect we are using a magnetoresistance technique which allows us to determine the details of how pure spin-currents, a flow of angular momentum without net charge current flow, crosses the interface from heavy metal to amorphous magnet. This neutron data will enable understanding of interface magnetism, which is intimately linked to spin-Hall magnetoresistance.
DOI: 10.5286/isis.e.rb1520100
title: Spin Seebeck Devices - The Future of TEGs?

description: The spin Seebeck effect is a relatively new phenomena that could be harnessed for waste heat recovery. Its advantages lie with a new device architecture (compared to conventional thermoelectric generators) that would not only reduce the cost of fabrication but also enable separation of the key drivers of device efficiency: electric and thermal conductivity of certain active components. We are exploring Co_2MnSi as a potential material for spin Seebeck based devices, where in previous PNR we observed indications of a magnetic dead layer that could have a dramatic effect on the functionality of any potential device. We propose to explore this feature further whilst also characterising basic devices (Co_2MnSi:Pt bilayers). This will enable determination of whether a magnetic dead layer exists at the Co_2mnSi:Pt interface as well as determine the extent of the proximity effect in Pt.
DOI: 10.5286/isis.e.rb1520243
title: Local structure and orientational dipole correlations of liquid nitromethane

description: Building on our recent SANDALS study on liquid chloroform we now wish to focus on nitromethane which is, like chloroform, a very powerful solvent. Its molecular dipole moment is almost four times larger than that of chloroform and dielectric spectroscopy suggests that the relative dipole alignments are fundamentally different in the two liquids. How two such very different liquids can display similar performances as solvents is an open question which we will address. To achieve this, we will obtain the orientational correlation functions (OCFs) which reflect the probabilities of the relative orientations of the dipole moments within nitromethane. High confidence in the OCF data will be achieved by using hydrogen and nitrogen isotopic substitution as well as X-ray diffraction data. The ultimate aim is to link local structure properties with the performance of nitromethane as a solvent.
DOI: 10.5286/isis.e.rb1567488
title: µSR Studies on the effect of the non-magnetic impurity at the 4f site in the Kondo semiconductor (CeLa)Os2Al10
DOI: 10.5286/isis.e.rb1600008
title: Characterisation of Er films for intrinsic magnetic on-collinearity
DOI: 10.5281/zenodo.2628059
title: Large-scale purification of HTT domain constructs 2019/04/01

description: <strong>Project: </strong>High resolution structural analysis of purified HTT samples

<strong>Experiment: </strong>Large-scale purification of HTT domain constructs

<strong>Date completed:­ </strong>2019/04/01

<strong>Rationale: </strong>Domain fragments of the huntingtin protein are useful reagents for examining protein-protein interaction characteristics of huntingtin and to map interaction interfaces. Stable, monodisperse and pure samples may also be amenable to high resolution structure solution by X-ray crystallography. Previously huntingtin fragments were cloned and screened for expression in small-scale (3 mL) culture experiments. Positive hits were scaled for production as detailed in the table on the next page.   All previous work is described in this post:https://zenodo.org/record/2600051#.XKU89aeZPOQ.
description: Dr. Harding is the recipient of the Huntington's Disease Society of America Berman Topper Career Development Fellowship which funds and supports this research, in addition to generous funding from the CHDI Foundation and the Huntington Society of Canada. The SGC is a registered charity (number 1097737) that receives funds from AbbVie, Bayer Pharma AG, Boehringer Ingelheim, Canada Foundation for Innovation, Eshelman Institute for Innovation, Genome Canada through Ontario Genomics Institute [OGI-055], Innovative Medicines Initiative (EU/EFPIA) [ULTRA-DD grant no. 115766], Janssen, Merck KGaA, Darmstadt, Germany, MSD, Novartis Pharma AG, Ontario Ministry of Research, Innovation and Science (MRIS), Pfizer, São Paulo Research Foundation-FAPESP, Takeda, and Wellcome.
DOI: 10.5281/zenodo.2628060
title: Large-scale purification of HTT domain constructs 2019/04/01

description: <strong>Project: </strong>High resolution structural analysis of purified HTT samples

<strong>Experiment: </strong>Large-scale purification of HTT domain constructs

<strong>Date completed:­ </strong>2019/04/01

<strong>Rationale: </strong>Domain fragments of the huntingtin protein are useful reagents for examining protein-protein interaction characteristics of huntingtin and to map interaction interfaces. Stable, monodisperse and pure samples may also be amenable to high resolution structure solution by X-ray crystallography. Previously huntingtin fragments were cloned and screened for expression in small-scale (3 mL) culture experiments. Positive hits were scaled for production as detailed in the table on the next page.   All previous work is described in this post:https://zenodo.org/record/2600051#.XKU89aeZPOQ.
description: Dr. Harding is the recipient of the Huntington's Disease Society of America Berman Topper Career Development Fellowship which funds and supports this research, in addition to generous funding from the CHDI Foundation and the Huntington Society of Canada. The SGC is a registered charity (number 1097737) that receives funds from AbbVie, Bayer Pharma AG, Boehringer Ingelheim, Canada Foundation for Innovation, Eshelman Institute for Innovation, Genome Canada through Ontario Genomics Institute [OGI-055], Innovative Medicines Initiative (EU/EFPIA) [ULTRA-DD grant no. 115766], Janssen, Merck KGaA, Darmstadt, Germany, MSD, Novartis Pharma AG, Ontario Ministry of Research, Innovation and Science (MRIS), Pfizer, São Paulo Research Foundation-FAPESP, Takeda, and Wellcome.
DOI: 10.5286/isis.e.rb1320200
title: Charting the increase in spin fluctuations as we approach the critical point in the itinerant ferromagnet, LaFe13-xSix

description: The LaFe13-xSix system (x&lt;1.6) has a first order ferromagnetic, FM, to paramagnetic, PM, transition that is tunable in magnetic field, ending at a (tri)critical point (Hcrit, Tcrit) beyond which it is second order. We have shown using an ac calorimetry technique that giant changes in the heat capacity occur in this material and that it exhibits a maximum at the critical point. Previous measurements with MARI showed an increase in diffuse scattering around Tc; in line with our observations from ac calorimetry. This change in heat capacity is maximum at the critical point, therefore we expect an increase in the amplitude of inelastic scattering as the applied magnetic field is increased. As such, the key objectives here are (a) to observe whether we such an increase occurs and (b) to correlate the increase in scattering with the simultaneous (&gt;1%) volume change of the material.
DOI: 10.5286/isis.e.rb1510630
title: Orientation of an Antimicrobial Peptide in Eukaryotic and Prokaryotic Membranes.

description: Antimicrobial peptides are small, usually alpha-helical peptides that kill cells by disrupting the cell membrane. Recently, we have been studying a simple 'designed' antimicrobial in simple, single component bilayers. Using a deuterated peptide and polarised neutron reflection, we have been able to monitor the orientation of the peptide in the membrane, which is an essential step in determining it's mechanism of action. To make progress in understanding the basis of selectivity of these peptides for prokaryotes however, it is necessary to understand how the behavioour of the peptide differs in bacterial case. Recently, we have demonstrated the fabrication of stable, asymmetric membranes which are intended as mimics of the gram-negative bacterial outer membrane. In this proposal, we wish to compare the orientation of the peptides in these membranes as compared to a eukaryotic mimic.
DOI: 10.5286/isis.e.rb1520113
title: The Structure of Ce-Doped TiO2 Photocatalysts

description: Our aim is to build atomic-scale models for the structures of some new materials that have useful properties for photocatalytic water splitting, an important contemporary area for producing clean fuels for energy production. In particular we will use the unique capabilities of neutron scattering to resolve structures that show some degree of disorder in their atomic arrangement. Our materials are prepared using soft chemical methods, which allows unusual combinations of chemical elements to be brought together with favourable properties. This provides materials that cannot be made using conventional methods, and in fact upon heating the photocatalysts lose their activity; these samples will also be studied to understand their deactivation. Our experiments will reveal why the materials have favourable properties and in doing so we can optimise the preparation of future materials.
DOI: 10.5286/isis.e.rb1520188
title: Neutron Diffraction studies of skyrmionic A phase and spin fluctuations in fluctuation-disordered phase under extreme conditions in MnSi

description: The study of skyrmion (magnetic vortex) lattice formation below ~30 K in chiral magnet MnSi has gotten very good attention in the recent times. Few of the key questions concerns the thermodynamic stability of A-phase. The stability of A-phase under applied pressure and magnetic fields. The recent studies of Hall Effect on MnSi suggests no effect of pressure on the skyrmion properties. The nature of electron correlations in the metallic state of MnSi under high pressures. The detailed magnetic structural studies by using neutron diffraction studies at extreme conditions low temperature, high pressure and magnetic fields. Thus the constructed phase diagram in T-p space may resolve the ambiguity over the quantum criticality and simultaneous emergence of non-Fermi liquids at critical pressures and stability of A-phase under high pressures.
DOI: 10.5286/isis.e.rb1520226
title: Neutron Reflection study characterising the fundamental structure and composition of reconstituted plant wax films

description: Understanding the plant wax-surfactant interaction process and the influence of surfactants upon the wax transport properties is crucial for the development of more efficient and effective pesticide and fungicide formulations. Thus, a need for greater understanding of both the morphology and structure of the cuticular lipid compounds which form the waxy 'barrier' upon the surface of all crops is required.We will carry out a series of solid/liquid NR measurements to characterise the composition and morphology of the nano-particles which make up the main constituents of wheat and barley waxes, and observe how each of the components influences the transport properties of the wax barrier. This will give us a better insight into the inter-facial processes of wax-surfactant interactions at the molecular level.
DOI: 10.5286/isis.e.rb1520344
title: Using neutron reflectivity from monolayer models of bacterial cell membranes to understand the interaction with an antimicrobial peptide

description: Antimicrobial peptides are being investigated as an alternative to antibiotics, as bacteria seem less able to acquire resistance to them. We have been investigating the way in which these peptides interact with models for the membranes that enclose bacteria. Bacteria have two membranes and the outer one is decorated by long chain sugar molecules, which extend away from the bacteria. We have learnt how to anchor these molecules at the air/water interface and have used the reflection of neutrons from this interface to study the layer structure. In this experiment we will study how much antimicrobial peptide interacts with this first layer of defence at the periphery of the bacteria and how it changes the layer structure. We will also measure the initial interaction of the peptide with a model for the inner bacterial membrane. This will help us understand how the peptides kill bacteria.
DOI: 10.5286/isis.e.rb1520484
title: In-situ diffraction studies of ammonia decomposition over iron, ruthenium and manganese catalysts

description: We request 3 days beam time on POLARIS for the in-situ study of the crystalline phase composition of iron, manganese and ruthenium catalysts for ammonia decomposition. These materials are the most important transition metal catalysts for the decomposition of ammonia. The collection of the first in-situ structural data on these systems will enhance our understanding of the mechanism of catalytic action by identifying the active composition of the catalyst and correlating this composition with observed ammonia decomposition activity.
DOI: 10.5286/isis.e.rb1567503
title: Study of frustrated antiferromagnetic states by µSR
DOI: 10.25919/5ca54346ef256
title: Air infiltration results for 129 Australian dwellings

description: Blower door testing results carried out on 129 of dwellings. In addition, an inspection of the house was undertaken to assess the quality of the installation of the insulation. Results of these inspections are included.  General house characteristics are also recorded.