cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1800095
title: Depth profiling high efficiency non-fullerene acceptor polymer solar cell blends

description: We would like to evaluate the vertical depth concentration profile for a blend of two materials that make a relatively high efficiency polymer solar cell device. Measurements of the device efficiencies have shown that comparable efficiencies can be achieved from spin coating a blend of the two constituent materials as is possible from sequential deposition of each component. So with neutron reflectometry we would like to assess if using the sequential deposition route we have created a bilayer device or if it is fact a much more akin to an intermixed nanophase separated network bulk heterojunction, like that created from a solution blend. We have asked for this time via the rapid access route as we would like to submit this work for publication in the coming months, understanding the processing steps via neutron reflectivity would greatly benefit the applicability of these devices.
DOI: 10.5286/isis.e.rb1810192
title: Residual Stress Mapping of Friction Stir Welded 6063 Aluminum Pipe Butt Joint

description: The joining of aluminum is commonly performed by arc welding technique which easily induces severe weld defects and distortion. The friction stir welding (FSW) technique offers excellent mechanical properties and environmental-friendly process. In this proposal, we intend to study the application of FSW on tubular components. FSW of small diameter aluminum pipes is a relatively new application thus presents a unique challenge requires the use of specialized techniques and equipment. Significant amounts of residual stresses are generated during welding and result in critical degradation of the structural integrity and performance of components. Residual stress mapping of the FSW components by neutron diffraction will provide the necessary insights to the effects of the welding parameters and provide guidance on the limits of these process parameters for manufacturing FSW aluminum pipes.
DOI: 10.5286/isis.e.rb1810223
title: Unlocking Structure-Property Relationships in Composite Semiconducting Nanoparticles for Organic Solar Cells

description: Colloidal dispersions of organic semiconducting nanoparticles (NPs)  have shown promise for the generation of active layers in organic solar cells.Composite NPs containing a mixture of an electron donor and an electron acceptor are favoured to maximise the performance of the device. However, the exact location of the donor-acceptor material within each individual NP will affect the amount of photocurrent generated and this is highly dependent on the conditions used to synthesise the nanoparticles. In this study, contrast variation small-angle neutron scattering will be used to probe the internal organisation of composite nanoparticles prepared under different synthesis conditions (concentration, donor/acceptor ratio, solvent mixture). The structural organisation will be correlated with the performance of devices prepared using these materials to determine the optimum configuration.
DOI: 10.5286/isis.e.rb1810331
title: Interaction and dynamics of deep eutectics (alkylamide + electrolyte): Dependence on alkyl chain-length, anion and temperature

description: Deep eutectics (DEs) are a novel class of solvents analogous in their physiochemical properties to ionic liquids. The charge delocalization due to hydrogen-bonding between the components in the mixture causes a sharp decrease in the freezing point of the mixture. DEs are useful in synthesis of organic compounds, nanomaterial and catalysis among others. Different alkyl chain length and anion identity affects the various physical properties like, density, viscosity etc. Results from our earlier QENS experiments showed that the dynamics of acetamide is significantly dependent on the nature of anions.The aim of the proposed experiment is to investigate, the effect of alkyl chain length and anion identity on the dynamics of alkylamide molecules in these DEs. This would provide the insights to understand the medium viscosity decoupling and structure-dynamics relationship.
DOI: 10.5286/isis.e.rb1820025
title: Hydrogen phase behaviour in microporous carbons with different pore geometries

description: In this proposal, we seek to use quasielastic neutron scattering (QENS) to investigate the phase behaviour of molecular or di-hydrogen (H2) in cylindrical and slit-shaped pores of size &lt; 1 nm as a function of temperature and pressure. The goal is to provide a new insight into hydrogen diffusion and uptake in materials of interest as hydrogen storage media. The project will improve fundamental understanding of hydrogen phase behaviour caused by confinement, and will lead to better design and identification of new storage materials for sustainable energy applications.
DOI: 10.5286/isis.e.rb1820074
title: Spin dynamics of the zigzag pseudospin-1/2 quantum chain compound PrTiNbO6

description: One-dimensional (1D) S = 1/2 spin chains are a subject of long-standing interest, because conventional long-range ordering can be prevented and novel Luttinger-liquid phase may form due to strong quantum fluctuations. Recently, we first proposed the 4f compound, PrTiNbO6, as a perfect candidate for the 1D zigzag pseudospin-1/2 quantum antiferromagnetic chain. No magnetic transition was detected by heat capacity at least down to 0.1 K, suggesting the promising Luttinger spin-liquid ground state in PrTiNbO6. Direct probe of the ground state, spin dynamics, and excitations, as well as experimental determination of the crystal electric field parameters and the effective pseudospin-1/2 Hamiltonian, are now required to understand the interesting ground-state physics of the spin-chain compound, PrTiNbO6.
DOI: 10.5286/isis.e.rb1820198
title: Residual Stress Measurements of Multi-Track Laser Deposited IN718 by Neutron Diffraction

description: There is increased motivation to extend the service life of high-value components within the aeroengine industry. Repair strategies are being developed to repair previously unrepairable components, removing the need for replacement. Laser deposition is being increasingly used to repair components that have been damaged in-service. The process allows complex deposition strategies to be used leading to flexibility in the repair strategy. This work will form part of a project to develop a validated FE model of the deposition process that can be applied to the repair of aeroengine components, allowing parametric studies to be carried out and optimum repair strategies to be selected. The objective of this proposal is to validate the model by measuring the residual stresses in two IN718 laser deposition samples on thick IN718 plates that have utilised two common deposition strategies.
DOI: 10.5286/isis.e.rb1820302
title: Emulsification of Fire-fighting surfactants

description: The aim is to understand how the addition of a common hydrogenated/ deuterated oil affects the size of the self-assembled structure of three common industrial fluorocarbon (FC) surfactants used in fire-fighting foam formulations (Figure 1) using contrast variation SANS.  These surfactants have already been studied individually by SANS and now will be studied in the presence of different concentrations of oil (cyclohexane), over both a range of surfactant concentrations which are commensurate with commercial fire-fighting foam formulations. Fire-fighting foams are generally employed on liquid fuel fires, therefore the degree of emulsification is of great interest to understand (as this can have adverse effects of foam stability (Figure 1)) and this experiments represents a model system close to practical application conditions in which we can study this effect.
DOI: 10.5286/isis.e.rb1820374
title: Temperature and flow stability of model sodium alkylbenzene sulfonate (NaLAS) micellar solutions

description: Linear sodium alkylbenzene sulfonate (NaLAS) is one of the most extensively used anionic surfactant in the world, mainly as a biodegradable laundry detergent, with an annual production of several billions of kg. During storage and utilisation, NaLAS micellar solutions undergo temperature fluctuations and are exposed to flow fields, which affect both the thermodynamic stability and performance of NaLAS `formulations'. Certain additives, including propanediol (pdiol) can non-trivially affect the phase behaviour and thus the stability of these formulations but their role, as solvents, co-surfactants or additives, remains elusive at the molecular level. Building on extensive microscopy, SAXS  and preliminary SANS data, this proposal seeks to investigate the role of cooling rate and flow on the assembly and phase transformations in NaLAS solutions.
DOI: 10.5286/isis.e.rb1820476
title: Molecular interactions of cimetidine and water in solution

description: Active pharmaceutical ingredient (APIs) are frequently delivered to the patient in the solid-state as part of an approved dosage form (e.g., tablets, capsules, etc.). Drug compounds tend to crystallise into different crystal forms, some of which incorporate solvent (water). We are investigating the factors leading to water incorporation. Cimetidine (CIM) exists in four polymorphs and a monohydrate, and our preliminary data shows interaction between the guanidine NH group and water at high concentrations, which is potentially critical for the formation of the monohydrate. We thus propose to measure neutron total scattering on SANDALS for CIM in neat DMSO solution and in the presence of 5 equivalence of water to elucidate the molecular interaction in solution.
DOI: 10.5286/isis.e.rb1820531
title: Disorder-induced suppression of magnetic ordering in frustrated Co(1/3-d)NbS2

description: Magnetic ordering in frustrated systems with large magnetic interactions remains a key question in condensed matter physics. Despite strong theoretical and experimental quest to suppress conventional ordering and to observe the emerging low-temperature novel phases, only a handful of new spin liquid candidates were discovered to date and their universal understanding is still missing. Recently, local disorder was identified as a new tuning parameter to preserve the magnetically fluctuating state. We propose muon spin rotation experiments in Co(1/3-d)NbS2, a novel intercalated transition-metal dichalcogenides (TMD) system possessing a triangular lattice. Whereas Co1/3NbS2 was originally found to order antiferromagnetically at 26 K, our novel synthesis method of intentionally introduced disorder leads to suppression of magnetic ordering and enhanced spin fluctuations.
DOI: 10.5286/isis.e.rb1620094
title: Magnetic inelastic scattering from dimethylammonium metal formates

description: The dimethylammonium metal formates (metal = Mn, Fe, Co, Ni) are metal-organic perovskite analogues of interest for potential multiferroicity. In these materials, electric ordering arises from the organic A-site cation ordering via hydrogen bonding to the metal-formate framework, while magnetic ordering arises from the B-site cations. We have observed a magnetic excitation below 1 meV in the magnetically ordered state of the Mn material using MERLIN, and propose here to take advantage of the cold neutrons available on LET to investigate this excitation systematically across this family of materials. Our results will help to elucidate the magnetic structure of these materials, including the surprising complex superexchange across the formate ion.
DOI: 10.5286/isis.e.rb1620126
title: Anion effects on self-assembly in deep eutectic solvents.

description: Deep Eutectic Solvents (DES) are mixtures of an organic salt with a hydrogen bond donor that form strong interactions which hinder crystallisation. DES share many features with Ionic Liquids (low vapour pressure, adjustable physicochemical properties) which make them viable as green solvents, especially as they are less toxic than typical ILs. We are currently carrying out a systematic study of amphiphile behaviour in these media. We have found considerable differences in behaviour of cationic and anionic surfactants compared to the behaviour of such surfactants in water and other polar solvents. Previously we have varied the H-bond donor component of the solvent and found changes in self-assembly behaviour. Here we wish to vary instead the anion of the organic salt, and also of the cationic surfactants to probe anion effects on micelle structures in these novel solvents.
DOI: 10.5286/isis.e.rb1620387
title: Laser-induced electron transfer in Trp-Tyr

description: We have recently performed a measurement of the dipeptide Tryptophanil-Tyrosine (Trp-Tyr) dissolved in deoxygenated water, illuminated by the 4th harmonic of the Nd-YAG laser installed on HiFi. We have successfully  observed an electron transfer process in the molecule as a temporal change in the two ALC peaks. However, due to the technical difficulties, the experiment left some important parts undone. We therfore would like to continue the measurements for field scan and complete the obtained data.
DOI: 10.5286/isis.e.rb1661011
title: Provenancing Roman Iron
DOI: 10.5286/isis.e.rb1710423
title: Dimensional Reduction and Frustration in the 2D Quantum Dimer Magnet BaCuSi2O6

description: For a decade field-tuned quantum criticality in the spin-dimer system BaCuSi2O6 has been of great interest due to an unconventional dimensional crossover at its quantum critical point. In order to understand the exciting physics of this possibly frustration-induced effect observed in this controversial compound, it is important to perform a thorough experimental study of the various terms in the spin Hamiltonian by INS. This is especially true now because recent abinitio calculations of the exchange parameters predict unfrustrated, ferromagnetic exchange between quantum spin dimers and challenge our current understanding even of the dominate exchange paths. We apply for beam time on LET for a final detailed INS study of BaCuSi2O6.
DOI: 10.5286/isis.e.rb1720022
title: Structure in model fire-fighting foams

description: The aim is to probe the structure in and of foams for three common industrial fluorotelomer surfactants used in fire-fighting foam formulations using SANS.  The structure of these surfactants is given in Figure 1. Bulk studies have already been carried out on these surfactants individually and now they will be studied as foams at concentrations commensurate with fire-fighting foam formulations. The data will allow to directly probe the self-assembled surfactant structures within the foam films/lamellae. Additionally, an understanding of how surfactant type and concentration affects foam stability will be gained. This is the next stage in a 3-year program, including SANS, to explore if F-carbon surfactants can be replaced by more environmentally-responsive low-F or even hydrocarbon analogues. Chris Hill is a 2nd year PhD student fully funded by fire-fighting technology company Angus Fire.
DOI: 10.5286/isis.e.rb1720159
title: Partial freezing of a Kagome Magnet

description: Ever since the first published consideration of the ground state of a triangular lattice of Ising spins by PW Andersen in the 50's,  the pursuit of materials with geometrically frustrated magnetic (GFM) lattices has been an important driver in experimental condensed matter physics.  The simplest GFM case is a triangular lattice, but this is rare, more experimental work has been performed on the kagome lattice.  However undistorted (perfectly hexagonal) magnetic kagome lattices are also rare, with the mineral jarosites being studies the most.  We wish to study, Fe4Si2Sn7O16, which contains a perfect Fe based Kagome lattice.  Our neutron diffraction studies suggest that two of the three spins on the triangle order, but we have seen no evidence of a third dynamic spin.  We wish to study this material using muSR to probe the dynamics of the spins in this system.
DOI: 10.5286/isis.e.rb1761007
title: Combined neutron analyses on tin alpha and beta phases for the study of ancient organ pipes

description: The so-called tin plague is often related to the progressive decay of metal organ pipes. Tin plague is an allotropic transformation of tin, spontaneously occurring at temperatures of 13.2 °C: it is strongly accelerated by lower temperatures, highly humid atmosphere or high concentration of halide and delayed by the addition of Pb, Sb or other metals to the cast. Due to the paramount relevance of pipe organs in European musical tradition, non-destructive techniques are mandatory for diagnosis studies. We already performed neutron diffraction (ND) on several samples coming from the restoration of organs in Italy (XVII-XX century). In order to infer information on the elusive tin alpha phase, we plan to perform a comparison study on reference samples of alpha and beta tin phases, for the benefit of the study of real organ pipes samples.
DOI: 10.5286/isis.e.rb1800003
title: Understanding Emergent Magnetisation Dynamics in Interconnected Nanomagnets

description: Rapid access for three days of OFFSPEC beam time is requested to expand our recent investigations of emergent magnetisation dynamics in ensembles of interconnected ring-shaped nanowires. In recent polarised neutron reflectivity (PNR) studies at OFFSPEC we showed that when these ensembles are subjected to rotating magnetic fields they host dynamic populations of domain walls, the equilibrium number of which develops emergently from the nature of domain wall interactions at ring junctions, which we control with the strength of the applied field. Here, we propose to expand our data by using PNR to study the processes by which equilibrium is reached, with the ultimate aim of generating sufficient data for a high impact publication.
DOI: 10.5286/isis.e.rb1800072
title: NTC 2018 Proposal Example 2

description: Please Ignore. This is just for setting up ERA's ready for the Neutron Training Course
DOI: 10.5286/isis.e.rb1810190
title: Cross section measurements for the characterization of nuclear-grade graphites

description: The present proposal seeks to establish a characterization procedure of grahites, by exploring the pyrolytic and amorphous phases as references to be properly characterized. Finally a nuclear-grade graphite sample produced by isostatic-pressing  will be studied. Since graphite is a complex system, very dependent on the manufacturing process, a procedure to develop Nuclear Data Libraries based on the knowledge of basic properties of its components is desirable. Preliminary work of our group show that such basic properties are the relative amount of crystalline and amorphous components present in the graphite system, as well as a description of the pore structure. With those elements, good descriptions of the cross sections for the purpose of producing libraries can be attained.The procedure is aimed at producing a proper description of nuclear-grade graphite
DOI: 10.5286/isis.e.rb1810308
title: Interplay between magnons and Weyl fermions in a magnetic Weyl semimetal

description: Topological Weyl semimetals, a new quantum state of matter, have attracted huge interests, owing to their exotic physics and great application potentials. Very recently, it has been reported that Sr1-yMn1-zSb2 is a rare example of a magnetic Weyl semimetal, where itinerant Weyl fermions and magnons coexist. Here, we propose to explore the interplay between the Weyl fermions and the magnons. Compared to other materials, the entanglement between these quasiparticles is expected to be stronger, due to the weaker spin-orbit coupling. Our results should yield impactful publications because of the strong interest in the field and the novelty of the results. We request for 9 days on MERLIN in total.
DOI: 10.5286/isis.e.rb1810319
title: Investigation of the single proton dynamics in light water and ice-Ih applying an external electrostatic field

description: Water, being dipolar, can be partly aligned by an electric field and this can be easily shown by the movement of a stream of water close to an electrostatic source. High field strengths (about 5E9 V/m) are required to reorient water in ice such that freezing is inhibited, with lower fields (about 1E5 V/m) encouraging ice formation in supercooled water by weakening the hydrogen bonding. Even a partial alignment of the water molecules with the electric field will cause pre-existing hydrogen bonding to become bent or broken. This experiment intends to be a first attempt to measure the microscopic dynamical effects induced at the level of the single atoms when an external physical perturbation modifies the structural and chemico-physical environment of the atoms themselves. We propose a ontinuation of a previous DINS measurement that failed because of technical problems wtth sample container
DOI: 10.5286/isis.e.rb1810785
title: Muonium-photocarrier interaction in germanium

description: Having established the photo-MuSR method in intrinsic silicon to investigate excess carrier recombination lifetime and Mu-photocarrier dynamics in our previous experiments, we now apply the techniques to another semiconductor material, germanium. Although previous experiments observed large photo-induced MuSR signal in Ge, there are still unknown microscopic mechanisms especially in dynamics between different Mu states upon photocarrier injection. We investigate the dynamics by studying its dependence on the excess carrier density. We also measure the carrier lifetime in Ge, an essential parameter for the microscopic dynamics. Making another successful example in our lifetime spectroscopy technique is important for stronger appeal to semiconductor community.
DOI: 10.5286/isis.e.rb1820241
title: In-situ study on the load partitioning in directionally solidified  NiAl-(Cr,Mo) eutectics

description: NiAl-Cr-Mo eutectic composites show promising characteristics regarding their usage for high-temperature structural applications. The composites consist of the intermetallic NiAl-phase as well as a Cr(Mo)-solid solution, whereas the latter forms a fibrous or lamellar microstructure within the NiAl through directional solidification. Mechanical and thermal loading results in phase-specific strain that affects the overall mechanical behaviour. The analysis of the load partitioning between the phases and the composites elastic anisotropy enables the validation and optimization of simulation models. For this purpose, small cuboid samples will be subjected to define compressive loading with increasing load steps. ToF in situ neutron diffraction at ENGINE-X constitutes an important tool to acquire data from all contributing phases in load direction and transverse e to it at the same time.
DOI: 10.5286/isis.e.rb1820334
title: Structures of metastable water ice XVII with different guests molecules

description: Very recently, we have studied the crystalline structure of the C0-phase H2-filled ice (recovered at room pressure and low temperature) and ice XVII, a new form of ice discovered by our group. This new ice (obtained by heating C0-phase H2-filled ice at about 110 K under dynamic vacuum) is so porous that it can reabsorb H2 and other gases, and release them repetitively. After our first diffraction measurements, several issues remain still unresolved. This proposal aims to study the structure of ice XVII, both empty and with a variable quantity of refilled molecules (D2, Ne, Ar), so solve the open issues about the effect of the guest on the structure, and the possible formation of a proton-ordered form of the empty structure. Data will be analyzed through Rietveld refinement, in order to accurately determine the positions of the atoms in the unit cell.