cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1800097
title: ASML SiC MOSFET test on ChipIR

description: High voltage semiconductor switches are susceptible to failure due to cosmic rays, when used in the half bridge configuration that is typical for swtich mode power converters. A cosmic ray will create a conductive path in an off-state junction. In combination with the other, on-state half bridge swtich this will short the low impedance supply bus and one or both swtiches will fail due to the resulting excessively peaking current. This effect has also been demonstratd in terrestrial applications as established in failures in installed base, laboratory tests and earlier neutron beam irradiation tests. The target of this test campaign is to qualify a new range of silicon-carbide type MOSFETs for appliaction in power amplifiers used in ASML's lithography machines.
DOI: 10.5286/isis.e.rb1810026
title: Cross-linking processes with microwave radiation and neutron Compton scattering.

description: The hardening process of moulding sands on quartz matrices bound by polymer binders containing carboxyl and hydroxyl groups can be carried out by using physical agents (microwave, UV). The highest hardening level obtain moulding sand samples containing binders in a form of the composition of poly(acrylic acid)/carboxymethyl starch within the microwave radiation field. The supplied energy is sufficient for the formation the stable cross-linked structures with the hydrogen bonds. Our previous vibrational spectroscopic work  found signatures of the above processes, whereby essentially the hydrogen projected vibrational density of states shifts to higher frequencies. Neutron Compton scattering, being sensitive to the high frequency modes, will be used in this proposal to shed new light on the crosslinking process. Selective deuteration will be used to render the technique site-specific.
DOI: 10.5286/isis.e.rb1810281
title: Spin excitation anisotropy in FeSe

description: Iron selenide (FeSe), a member of "11" family in iron-based superconductors, does not have static AF order; thus, the structural transition and associated nematic order have been identified as due to orbital ordering instead of magnetism. This work aims at determining if spin excitations in FeSe can have two-fold symmetry below the structural distortion without long-range magnetic order. This experiment will determine if FeSe and iron-based superconductors have a similar type spin fluctuations, then shed light on the question that if they share a similar mechanism of superconductivity.
DOI: 10.5286/isis.e.rb1810483
title: Residual Stress Measurement of Bead-on-plate Weld Geometry for a P91 martensitic steel

description: The objective of our research programme is to study the microstructure and stress state evolution in the heat affected zone (HAZ) on welds of P91 and other 9Cr steels. The work to be undertaken in this proposal aims to quantify the residual stress in a welded specimen to provide validation for the numerical tools. It is expected to implement a strong link between ND measurements and modelling simulations in order to quantify the residual stress development during the welding process of P91 steel.
DOI: 10.5286/isis.e.rb1820001
title: Muon soft error effects at 7-nm FinFET technology node

description: Semiconductor industry is currently offering 7 nm technology node with FinFET fabrication processes. Soft error causing mechanisms and error rates for FinFET technologies are expected to be vastly different from those for older planar technologies. This proposal is for the investigation of muon-induced soft errors for 7 nm SRAM and flip-flop (FF) designs. We will be using standard SRAM designs and a custom-designed test IC containing multiple hardened and non-hardened FF and logic circuit designs. Since soft errors caused by muons may be significantly higher than that observed for prior technologies, tests are needed to understand their effects and failure rates to allow for development of predictive models. Results from these experiments will be supported with  circuit simulations. Results will support a dissertation and will be disseminated through publications.
DOI: 10.5286/isis.e.rb1820244
title: Oxidation of gram-negative cell-wall proxy with OH radicals - kinetics and mechanism for water industry

description: Hydroxyl radicals may be used as disinfection agent in the advanced oxidation processes or tertiary treatment of waste and occasionally drinking water. In this exploratory work, we wish to investigate the kinetics and mechanism of OH radicals with a gram-negative bacteria cell wall proxy. Neutron reflection will allow us to determine the site and mechanism OH attack, i.e. does the OH radical diffuse through the polysaccharide coat and destroy the lipid bilayer or does it repeatedly react with the polysaccharide coat. The kinetics of the oxidation and extent of the reaction will also be studied with neutron reflection. The proposal is a collaboration between two teams with expertise in gram-negative bacteria wall proxies and oxidation kinetics and supports a joint ISIS/DLS funded student.
DOI: 10.5286/isis.e.rb1820255
title: Understand the role of low-lying phonons in strong electron-phonon coupling superconductor BaPd2As2

description: Strong electron phonon coupling has been identified as the origin of enhancement of superconducting transition temperature (Tc) in many systems. In these superconductors structural instabilities or low lying phonons are known to enhance the electron phonon coupling and hence Tc. Recently Guo et al. reported superconductivity at 3.85 K in BaPd2As2 in the ThCr2Si2- type polymorphs. Specific heat measurements reveal that BaPd2As2 has an anomalously low Debye temperature, originating from low lying phonons. In this system a relationship between lattice structure and the Debye temperature is observed.  A large jump at Tc in the specific-heat data clearly indicates BaPd2As2 is a strong coupling superconductor, derived from the presence of soft phonons. Here we plan to investigate the microscopic properties of BaPd2As2 using transverse field and zero field μSR on the MUSR spectrometer.
DOI: 10.5286/isis.e.rb1820295
title: Studying the hydrogenation of cinnamaldehyde over Pt/MCM41 under flow

description: The proposal aims to use neutron scattering coupled with NMR spectroscopy to study the selective hydrogenation of a fragrance (cinnamaldehyde) to high value products.  The study will examine the influence of liquid structure on the selectivity of the reaction to understand the reaction mechanism.
DOI: 10.5286/isis.e.rb1820321
title: UNDER PRESSURE: an alternative route to novel zeolite catalysts

description: Zeolites are microporous aluminosilicate minerals which are characterised by their highly crystalline framework structures. Having distinct porosity, zeolites are used in a variety of applications including hydrocracking, catalysis, molecular sieving and as drug release materials. The synthesis of novel designer zeolites for specific applications is one of the primary motivations in zeolite research, being listed as one of the top ten breakthroughs in 2011 by Science. Simulations have predicted millions of new conceivable hypothetical zeolite structures, however there is no guidance as to which are synthetically feasible. This problem can be solved by considering the compressive properties of zeolite frameworks known as the flexibility window,2 which is an integral parameter in deeming synthetic viability.
DOI: 10.5286/isis.e.rb1820440
title: Nanoscale Segregation and Order-Disorder in Ceria-Zirconia Catalysts

description: This proposal is concerned with understanding the properties of materials used in important applications in catalysis and energy, such as in molecular transformations of exhaust gases for environmental remediation. We will study the local atomic structure of a set of mixed cerium-zirconium oxides to examine the issue of phase separation on the nanoscale. We need to understand why materials with the same chemical composition can have very different properties, thus by measuring the distribution of atoms on the local to medium-range length scale we will uniquely determine a signature of atomic structure. We will also investigate the early stages of chemical synthesis by making a study of gel precursors of the same materials. Then we can understand both which structural characteristics are important for optimum materials, and which synthesis conditions are needed to achieve this.
DOI: 10.5286/isis.e.rb1820442
title: A high pressure study of the novel hybrid improper ferroelectric HgMn7O12

description: We have recently discovered how a novel type of hybrid improper ferroelectricity can arise in the perovskite HgMn3Mn412.  This ferroelectricity is driven by a highly unusual charge transfer and orbital ordering process that induces a polar grounds state.  Interestingly, isoelectronic CaMn3Mn4O12 exhibits a different sequence of phase transitions with rather different orbital physics that does not directly lead to hybrid improper ferroelectricity. The present study seeks to use high pressure to tune through the differing orbital ordered phases of HgMn3Mn3O12 giving greater insight into the physical driving forces behind this novel kind of ferroelectricity. This will help us not only gain insight into how the unusual charge and orbital physics surrounding the ferroelectric state in HgMn7O12 arises, but will give us indications how it can be induced and controlled in other related systems.
DOI: 10.5286/isis.e.rb1820611
title: Low energy  fluctuations near quantum criticality in CeRh6(Ge1􀀀xSix)4

description: In Ce-based heavy fermion materials, there is competition between the interactions which lead to a magnetically ordered arrangement of the Ce magnetic moments, and the hybridization between the local moments and conduction electrons, which quenches the local moments. Sometimes the magnetic transition can be tuned to zero temperature at a quantum critical point (QCP), where unusual properties arise due to quantum fluctuations. CeRh6Ge4 orders magnetically at a low temperature of 2.5 K, but by swapping Si for Ge, the magnetism is suppressed and eventually disappears, likely at a QCP. We propose to measure doped and undoped samples using low-energy inelastic neutron scattering, so as to probe the magnetic ground state and unusual spin fluctuations near a QCP. In particular, the scaling of the low energy scattering provides crucial information about the type of QCP.
DOI: 10.5286/isis.e.rb1868007
title: Elastic Neutron Diffraction Studies of Polycrystalline Co-doped CeCu2Ge2

description: A systematic study of physical properties on Ce(Cu1-xCox)2Ge2 reveals that the AFM ground state of CeCu2Ge2 can be continuously suppressed by Co doping and NFL type of behavior is seen around the critical concentration  xc = 0.6. A significant deviation of physical properties from a FL behavior such as C/T proportional to  T ^(-1+lambda) are observed around xc = 0.6 and attributed to an AF-QCP with TN  = 0. The TN vs x phase diagram show two distinct regimes that might be related to two different kind of magnetic ordering, which requires further confirmation. The 2D nature of quantum fluctuations is inferred from the magnetic phase diagram where the magnetic ordering close to xc follows linear behavior. Thus, in order to confirm the exact magnetic ordering of the doped compounds,  we  propose to carry out powder neutron diffraction studies on these compounds.
DOI: 10.5286/isis.e.rb1868025
title: Magnetic structure Investigation of the quasi two dimensional corrugated layered oxides Ba4Ru3O10

description: Ba4Ru3O10 is a rather fascinating compound with quasi two dimensional crystal structure. Although the compound shows strong feature in the magnetization data at 105 K indicating an antiferromagnetic ground state, a complete understanding of the magnetism of this compound is still elusive. Powder neutron diffraction data identifies only a week magnetic reflection at the Bragg position (002), while the inelastic neutron scattering study by our group indicates very weak magnetic excitations. The magnetic structure, based on the previous neutron data, indicates zero moment at one of the two Ru sites, which is quite unusual considering not so large spin-orbit coupling in Ru. We therefore propose to re-investigate the magnetic structure of Ba4Ru3O10 using WISH diffractometer, which is capable of providing high resolution data over a wide range of lattice spacing.
DOI: 10.5286/isis.e.rb1900013
title: Copy of: Single-event characterization of 7-nm technology node

description: Semiconductor industry is currently offering 7 nm technology node with FinFET fabrication processes. Soft error causing mechanisms and error rates for FinFET technologies are expected to be vastly different from those for planar technologies. This proposal is for the investigation of neutron-induced soft errors for 7 nm flip-flop and logic circuit designs. We will be using custom-designed test ICs containing multiple hardened and non-hardened FF designs and logic circuits. Since soft errors caused by neutrons are going to dominate all other failure mechanisms, tests are needed to estimate neutron-induced failure rates to allow for development of predictive models. Results from these experiments will be supported with radiation transport simulations and circuit simulations. Results will support a dissertation and will be disseminated through publications at conferences and journals
DOI: 10.5286/isis.e.rb1510335
title: In-situ diffraction and TGA of the hydration reaction of proton conducting perovskites

description: Here the use of the IGAN system for in-situ TGA and neutron diffraction is proposed in order to study the de-hydration of four proton conducting materials. The selected materials are all highly oxygen deficient perovskite systems that show large relative mass changes on de-hydration, e.g. ~ 2-3 %, and display a range of hydration behaviours, from structural transitions (BaTi0.3In0.7O3-d) to the unexpected absence of a significant chemical expansion (BaTi0.5Sc0.5O3-d and BaTi0.3Sc0.7O3-d). Critically, the simultaneous approach should allow us to monitor the changing crystal structure as a function of proton concentration based on the TGA data. In addition we plan to monitor the de-hydration reaction through refinement of the oxygen site(s) occupancies and correlate this with the recorded mass changes. Through this a better understanding of the hydration reaction will be gained.
DOI: 10.5286/isis.e.rb1510538
title: In Situ Study of Excess Lithium Metal Oxides Under Charge and Discharge

description: The next generations of Lithium batteries require materials with an enhanced energy density. The most realistic choice for such systems are the lithium rich electrodes (e.g. Li1.2Mn0.54Ni0.13Co0.13O2). These materials offer an increase in energy storage of around 1.5 times over conventional systems. Interestingly despite the similarity in the parent structure to traditional Lithium ion battery electrodes (LiCoO2) these compounds show a very different electrochemical performance. This involves a significant structural evolution on the first cycle which dramatically affects the subsequent charging and discharging of the battery. In this proposal we intend to elucidate the structural changes occurring and reveal fundamental information about how these materials operate. This data will be used to support research in our laboratory utilizing a large range of characterization techniques.
DOI: 10.5286/isis.e.rb1510639
title: Hydrogen production from ammonia using lithium imide: an isotope study

description: We have recently discovered that light metal amides and imides are excellent cattalysts for the decomposition of ammonia. We request 3 days on POLARIS to perform in situ neutron diffraction measurements on lithium amide-imide (LiND2-Li2ND), while monitoring the ammonia decomposition reaction. Building on information obtained from our previous POLARIS experiment on this system, we will conduct a series of isotope exchange measurements which will help to develop an understanding of the catalytic reaction mechanism, a crucial step in optimising the reaction for use in on-demand hydrogen production applications.
DOI: 10.5286/isis.e.rb1520351
title: Single Crystal Investigations of H3NC2H4NH3PbI4

description: The production of electricity from sunlight using photovoltaic devices is one of the most promising technologies for meeting future energy requirements.  CH3NH3PbI3 was first reported in a solar cell in 2009 (with an efficiency of 3.81%) and since then the efficiencies of the CH3NH3PbI3 solar cells have increased extremely rapidly to 20.1%. Our current synthetic work involves exploring diamine doping in CH3NH3PbI3 and we have found a new compound, H3NC2H4NH3PbI4.  Our laboratory single crystal XRD data is dominated by the strong scattering of Pb and I, making accurate determination of the organic cation difficult.  We propose to carry out a single crystal neutron diffraction study to gain an accurate structural model of H3NC2H4NH3PbI4, particularly with respect to the H3NC2H4NH32+ cation and to correlate this model with the properties H3NC2H4NH3PbI4 displays.
DOI: 10.5286/isis.e.rb1520479
title: Hydrogen from ammonia using lithium imide  metal nitride composites

description: Light metal amides and imides are a new class of highly active ammonia decomposition catalysts. Indeed, composites of lithium imide and transition metal nitrides are likely to surpass optimised ruthenium-based catalysts. Significantly, these low-cost catalysts function by bulk reaction and represent a departure from conventional surface catalysis. Understanding these novel bulk mechanisms is crucial for further advances to be made in the development of these catalysts which, in turn, will facilitate sustainable energy provision from ammonia. We request 4 days on POLARIS to conduct an in situ structural investigation on two composite lithium imide ? metal nitride ammonia decomposition catalysts, one with manganese nitride and one with iron nitride. In particular, we wish to probe the active form of the catalyst materials, determining whether a ternary nitride is formed.
DOI: 10.5286/isis.e.rb1610311
title: Self-diffusion of water-ethanol mixtures

description: This project will investigate the self-diffusion of ethanol-water mixtures to support our work on supramolecular gels in drug delivery. As these solvent mixtures are safe to use as delivery vehicle, our gels will be based on them. However, the knowledge about the diffusion characteristics of the mixtures is not well described and mainly based on molecular dynamics simulations or nuclear magnetic resonance measurements, neither of which fit each other or preliminary data recorded by us in earlier experiments. We thus propose to perform a systematic investigation into ethanol-water mixtures using quasi-elastic neutron scattering on LET to fill this knowledge gap and to facilitate further research into drug delivery by supramolecular gels.
DOI: 10.5286/isis.e.rb1610366
title: Investigation on the effect of muons on various types of commercial memories

description: Recent memory technologies are becoming more and more sensitive to radiation because of device miniaturisation. Models show that even atmospheric muons are now susceptible to induce data corruption in memories; however, their effect remains largely unexplored and only few experimental studies have been carried out to this day. My reasearch group proposes to use the muon beams available at ISIS to evaluate the behaviour of static RAMs (SRAMs) of different technology nodes, as well as that of FRAM, MRAM and Flash memories under muon irradiation. The results from this study would complement the results obtained with other particle species, and in particular atmospheric-like neutrons with the Vesuvio instrument, on similar devices.
DOI: 10.5286/isis.e.rb1610514
title: Towards Neutron Scattering of Amorphous Materials in the Gigapascal Regime

description: Over the past few years, extensive developments have been made in the use of neutron diffraction for structural studies of liquids and amorphous materials at high pressure. Collection of such data is complicated at high pressure as there is a need to measure data with high counting statistics from small sample volumes and which are free from contamination by the anvils and gasket (see ref [1] and references within). In this proposal we are asking for time to take the existing data collection strategies developed on the PEARL (dedicated high pressure instrument) one step further and move towards developing the capability for collection of quantitative data from liquid and amorphous samples in the gigapascal regime on the SANDALS instrument
DOI: 10.5286/isis.e.rb1620379
title: Copy of: Investigation of magnetic transitions in a Cobalt based Brownmillerite

description: Brownmillerites of the form ABO2.5 constitute an interesting variant of oxygen deficient perovskites, with magnetic ions stabilized in alternate octahedral and tetrahedral environments.  Interesting from both the magnetic and electronic points of view, these systems are only now being investigated in right earnest.  Here, we propose measurements of elastic and inelastic neutron diffraction on the brownmillerite BaCoO2.6, with the aim of uncovering the evolution of  magnetic structure as well as the constituent magnetic interactions.
DOI: 10.5286/isis.e.rb1620393
title: Crystal and magnetic structure of new 2D honeycomb iridates

description: 2D honeycomb iridates recently emerged as a possible platform for new class of spin liquid, the Kitaev spin liquid. The candidate materials A2IrO3 (A = Li, Na) in fact undergo magnetic ordering at low temperatures. The observed magnetic structures, zigzag type for Na2IrO3 and a spiral order for Li2IrO3, are different from the original theoretical prediction, and lots of theoretical proposals for the origin of observed magnetic structure have been proposed but are still controversial.  One of the reasons for this unsettled situation is shortage of real materials; to date only two A2IrO3 have been studied. We propose to analyse crystal and magnetic structures of new honeycomb iridates, Ag3LiIr2O6 and ZnIrO3, which should help in understanding the key ingredient for the magnetism of honeycomb iridates.
DOI: 10.5286/isis.e.rb1700053
title: Study of covalent grafting of fluorophores on double-walled carbon nanotubes

description: The aim of the current proposal, which is on the framework of an ILL Ph.D. project is to characterise the interactions (covalent or non-covalent) between carbon nanotubes (CNTs) and model molecules (fluorophores), aiming at answering the following fundamental questions: (i)	What are the adsorption sites in CNTs samples (different surface sites are available)(ii)	What is the ratio between covalent and adsorbed molecules in the case of a covalent grafting?In order to answer these questions it is necessary to probe the stretching region of our samples with neutrons in order to "highlight" the organic molecules at the surface of the CNTs. After previous inelastic neutron scattering experiments performed at the ILL, we know that the use of a direct geometry spectrometer such as MAPS is required for the measurement accuracy we are looking for.