cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1820407
title: Investigation of the dynamic Kagome ice emerged from a field along [1, 1, 1] in Nd2Hf2O7.

description: Pyrochlore compounds are considered to have an ideal crystal structure for 3D geometrical frustration, resulting in novel ground states. Spin ice, is one of the most striking ground states, with monopole- like excitations. Classical spin ice can be melted by quantum fluctuations introduced by non- Ising terms in the magnetic Hamiltonian. We have synthesized a high quality single crystal of Nd2Hf2O7 and performed successfully inelastic neutron scattering measurements in zero field. We solved the magnetic Hamiltonian with a model that classifies it as proximate to quantum spin ice with a dynamical pinch point mode. There are indications that a dynamic kagome ice state can emerge by applying field along the cube diagonal ([1,1,1] direction). Here we wish to explore this new state by applying fields along the [1,1,1].
DOI: 10.5286/isis.e.rb1820526
title: Diffraction paten of a Heisenberg-Kitaev Quantum Spin Liquid candidate Li2RhO3

description: We propose to continuous our investigation of the magnetic diffraction pattern of the potential Kitaev spin liquid compound Li2RhO3. Moderate spin orbit coupling in the Rh4+ ion is expected to results in a ground state doublet which in combination with the honeycomb structure of RhO6 edge-sharing octahedral, gives rise to highly directional Kitaev interactions. Our previous powder measurements of Li2RhO3 performed on WISH revealed the magnetic Bragg peak at |Q|=0.97 Å-1 suggesting that Li2RhO3 develops either zig-zag or stripy magnetic order with the ordering wave vector k = [0,1,1/2]. The goal of this experiment is to extract an accurate value of TN  and the critical exponent by measuring the intensity of the magnetic Bragg peak at different finite temperatures.
DOI: 10.5286/isis.e.rb1820620
title: Observation of intermediates on a transfer hydrogenation catalyst

description: The design and development of novel catalysts for chemical synthesis is incredibly important from both academic and industrial perspectives. Approximately 90 % of all commercial chemical processes invoke the use of a catalyst, which can be utilized to reduce the energy demands and waste generated. Transfer hydrogenation reactions are a fantastic example of how modern catalyst design can be used to improve atomic efficiency in chemical synthesis. We have developed a highly efficient novel heterogeneous catalyst which is highly active and selective for the production of a biofuel (gamma-valerolactone) from a biomass feedstock (methyl levulinate) via transfer hydrogenation. With the use of the facilities at ISIS, we hope to gain a greater understanding of why this material is such a good catalyst for this reaction and hope this work will act as a foundation for future research in this area.
DOI: 10.5286/isis.e.rb1900031
title: Structural Changes in Micellar Self-Assemblies of Amphiphilic Drugs in Aqueous Solutions

description: This study aims the micelle size and shape phase transition investigation for the amphiphilic drugs; adiphenine-HCl (antihistamine), amitriptyline-HCl (antidepressant), and pavatrine (spasmolytic) in aqueous solutions with high concentration solutions to be of particular interest of this study. By understanding the general principles that govern the structural changes of micelle self-assemblies in amphiphilic drug systems with and without ionic variations and especially at high concentrations, drug delivery systems of high drug-loading capacity can be developed. In addition, the interactions between the micelle self-assemblies and other polymer networks (e.g. drug carriers) can be defined, while the drug solubility and release/loading mechanism can be controlled. This allows the structural behaviour of other complicated drugs, like doxorubicin used in cancer therapy, to be interpreted.
DOI: 10.21341/vwgq178s
title: Value Creating Board (VCB),  phase 2. Data set from the VCB Surveys 2005-2006

description: Phase 2 of the VCB project is related to phase 1. The Value Creating Board survey instrument has a long history, and it has been developed in various phases. The first version was from 1990. That version had a focus on board tasks, motivation, independence, relational norms and company performance. During the 1990’s we followed up with several surveys that developed measurements about innovation, board tasks and the context of SMEs. In 2001 a research team at BI Norwegian Business School started preparing, with the support from the Research Council of Norway, The Value Creating Board (VCB) Research Program. A main part of this program was to develop a comprehensive survey instrument. A pilot instrument was used in 2001. Through BIRD we present the VCB phase 1 instrument and data (2003-2004), and the VCB phase 2 instrument and data (2005-2006). Data from the various phases may be combined. We are here presenting data in two main ways: a) board/firm level data were the actual board is the unit of analysis, and b) respondent level data (e.g. the responses of individual board members, CEOs, etc) where the individual respondent is the unit of analysis.  For English version of the survey questions, see Sellevold, Huse & Hansen 2007, http://hdl.handle.net/11250/94234
DOI: 10.5286/isis.e.rb1620286
title: Cation reorientation dynamics in a hybrid Prussian blue analogue

description: The cubic pores in many Prussian blue analogues are big enough to contain organic cations. In the material (HIm)2K[Fe(CN)6], the imidazolate guest cation is free to rotate in two high-T phases but freezes into position, altering the dielectric constant, at low T. The structural difference between the high-T phases remains controversial. Although the Co analogue has been studied by NMR, the paramagnetic Fe compound cannot be. We thus propose instead to investigate the imidazolate rotation in this material via quasi-elastic neutron scattering. Analysis of the elastic incoherent structure factor as a function of temperature will confirm the number of rotational orientations available to the cation and determine the activation energy for hopping between them. This will resolve the structural controversy and inform the design of new framework materials with targeted dielectric properties.
DOI: 10.5286/isis.e.rb1720219
title: Comparing hydrogen densification in microporous carbons with slit and cylindrical pore geometries for hydrogen storage

description: Neutron scattering is one of the few experimental techniques that can directly determine the state of confined H2 molecules in microporous solids. In this proposal, we seek to investigate hydrogen densification in both cylindrical and slit pores at a micropore size range of &gt; 1 nm for adsorptive hydrogen storage. Furthermore, we will perform a comparative study on the INS data with experimental high-pressure volumetric adsorption data as well as molecular modeling results for hydrogen densification in a variety of cylindrical and slit pores in the range of interest. The dependence of hydrogen density and hydrogen packing on pore geometry for pore sizes will then be identified. The new information on the effects of cylindrical and slit pores geometries on hydrogen densification in nanoporous carbon materials will impact on design of future porous adsorptive hydrogen storage materials.
DOI: 10.5286/isis.e.rb1810022
title: Spin excitations in frustrated rare-earth tripod Kagome magnets

description: Exotic ordering phenomena resulting from magnetic frustration continue to attract attention as newtypes of frustrated compounds emerge. A very recent development in this field focuses on the socalledtripod-Kagome magnetic lattices that consist of corner-sharing triangles occupied bymagnetic rare-earth ions. Similarly to the well-known spin-ice compounds, to which thesematerials are structurally related, the anisotropy of the rare-earth ions can vary from Ising-like tonearly isotropic (Heisenberg-type) or XY-type. Very recently, a 2D analog of a "Kagome spin ice"ground state has been suggested for this tripod-Kagome structure in Dy3Mg2Sb3O14 by Z. L. Dunet al. [PRL 116, 157201 (2016)]. Here we suggest to study two new members of the samestructural family, available as high-quality powder samples, namely Nd3Mg2Sb3O14 andTb3Mg2Sb3O14, using time-of-flight neutron spectroscopy.
DOI: 10.5286/isis.e.rb1810301
title: Measuring the intrinsic Density of Nanoconfined Liquids

description: Despite abundant research on nanoconfined liquids, determining the density, which is a key property of the liquid, remains an open problem. All the previously explored strategies indeed provide a measurement of an effective density instead of the true, intrinsic density.We therefore aim at establishing a new reliable method to measure the density of a nanoconfined liquid. We propose here to take advantage of the quantitative predictability of neutron scattering, in complement to Optical Kerr Effect spectroscopy (OKE) and molecular simulation (MD), for characterizing an archetypical hydrogen bonded liquid, acetonitrile. We expect a signature of the surface versus bulk contribution in the vibrational density of states and a direct evaluation of density fluctuations by measuring the translational and rotational motions by QENS. We require for this experiment 3 days of beam time on LET.
DOI: 10.5286/isis.e.rb1810402
title: Spin excitation in magnetic Weyl semimetal HgCr2Se4

description: Topological materials get extensive attention in last three decades. HgCr2Se4  is one of those materials being a Weyl semimetal which is induced by time-reversal symmetry breaking. Magnetic order is proposed to be a necessary condition for the material being a Weyl semimetal. However, experimental results concerning the magnetic ground state and exchange couplings, which is crucial for understanding the Weyl physics, is still lacking. Therefore, it is necessary to do detailed measurements to get the whole picture magnetic excitations using inelastic neutron scattering.
DOI: 10.5286/isis.e.rb1810481
title: Magnetic excitations at the critical pseudogap point, p=0.19, in La2-xSrxCuO4

description: We propose to measure the spin excitation spectrum in cuprate superconductor, La2-xSrxCuO4 (LSCO) at x=0.19. Our aim is to resolve the doping dependence of the 18 meV spin resonance and the broad 40-60 meV peak. The latter has been previously measured at optimal doping (x=0.16) but is absent on the far overdoped side of the superconducting dome (x=0.22). It may be linked to the pseudogap and its disappearance may be connected to the collapse the superconducting state at overdoping.  It is therefore important to understand the behaviour of the spin excitations between x=0.16 and 0.22.
DOI: 10.5286/isis.e.rb1810526
title: Antibiotic paths through the bacterial outer membrane: The strange case of vancomycin

description: Gram-negative bacteria, which cause a variety of diseases including meningitis, plague, sepsis and food poisoning, are becoming increasingly antibiotic resistant. One reason is their robust outer membrane (OM) which can resist antibiotic penetration. We have been combining our recently developed OM model with neutron science to measure the penetration of an important antibiotic, polymyxin (PMB), into the OM. These have shown the importance of the critical melting of the OM at body temperature in allowing PMB to work. Vancomycin is an important antibiotic which however does not act on Gram negative bacteria, Recently it was shown that it does work on these cells but at 15oC. It is also more effective on cells with complex polysaccharides on their surface, again opposite to PMB. Thus we wish to test the effect of Vancomycin on our models at different temperatures and lipid complexities.
DOI: 10.5286/isis.e.rb1810695
title: Excitations of a solitonic lattice in the multiferroic material TbFeO3

description: The multiferroic system TbFeO3 undergoes magnetic transitions at 8.5 and 3 K, and with further modification in applied fields leading to a complex H-T phase diagram. At a temperature of around 3 K with a magnetic field above 1 tesla applied along the c-axis, the system exhibits incommensurate reflections in neutron diffraction experiments, which were reported to be the result of a solitonic lattice and Yukawa-like forces. We would like to carry out inelastic neutron scattering on the medium energy chopper spectrometer MERLIN in applied fields along c-axis of TbFeO3 crystal to investigate these interesting magnetic excitations. Similar experiments have not been performed before.
DOI: 10.5286/isis.e.rb1820069
title: Low-temperature Neutron diffraction studies in SrTi0.5Mn0.5O3 to explain the magnetic behavior observed through muSR studies

description: Geometric frustration of magnetic ordering in ordered double perovskites (ODPs) leads to spin-glass, spin-liquid and spin-ice states. However it is yet not clear whether these exotic magnetic ground states are unique to ODPs or can be realized even in B-site disordered perovskites also. Very pure B-site disordered perovskite SrMn0.5Ti0.5O3 has been synthesized and found to exhibit spin-glass like behavior as probed through magnetic and µSR measurements. Previous neutron scattering studies have been done on magnetically impure phases. Therefore confirmation of any possible spin-ordering in this pure  phase is expected to results in some different type of ordering.  In the present proposal our aim is to investigate the nuclear and magnetic structure of this highly pure SrMn0.5Ti0.5O3 down to 2K.
DOI: 10.5286/isis.e.rb1820083
title: Thermoelastic Properties of Thermoelectric PbSe I HRPD

description: We propose to study the effect of pressure and temperature on the crystal structure and the elastic properties of lead selenide, an important material for conversion of waste heat into electrical power. We have successfully analysed and published results on the sibling phases, lead sulfide and lead telluride, and request ISIS beam time to complete this series. We propose to measure the behaviour of lead selenide at low temperature and high pressure to derive useful thermoelastic properties for this compound including thermal expansion and isothermal compression. We aim to resolve a long standing scientific problem in this compound as to the crystal structure of its intermediate phase.
DOI: 10.5286/isis.e.rb1820134
title: Dynamic Adsorption of the Fusion Protein HSA-NEP at the Silica-Water Interface

description: HSA-NEP is a fusion protein with potential uses in treating Alzheimers disease. It consists of Neprilysin, a peptide degrading enzyme, linked to HSA, the most common protein in blood plasma. Fusion proteins such as HSA-NEP are often stored in glass (silica) containers, to which they adsorb, often causing denaturation of the protein. We have investigated dynamic adsorption of HSA-NEP to the silica-water interface using spectroscopic ellipsometry and FTIR to determine the adsorbed amount and secondary structure changes, but this does not give a true physical structural picture of the protein adsorbed. Dynamic neutron reflection measurements will be unique to unravel how interfacial structure of HSA-NEP changes  as a function of time, pH and concentration. As the pIs for HSA and NEP are different, it is interesting to explore how they change in the adsorbed layer with pH.
DOI: 10.5286/isis.e.rb1820177
title: MuSR Study to Investigate the Magnetism of Ca3Cu1-xMn1+xO6 (x = 0.07): Continuation proposal

description: One-dimensional (1D) spin chain is important for understanding low-dimensional magnetism and useful for advancing quantum communications. In the present proposal we are investigating magnetism of Ca3Cu1-xMn1+xO6 (x = 0.00 & 0.07) compounds using muSR measurements. The preliminary analysis of the µSR data show the relaxation is apparently Kubo-Toyabe (KT) type; however, it is not a simple KT fit when temperature is varied. The repolarization curves at various temperatures show that there are two mid-points, which indicate that there are two stopping sites, or two magnetically inequivalent sites in this compound, in very good agreement with our neutron diffraction results. In this continuation proposal we propose to carry out zero field (ZF) and transverse field (TF, 100G) dependent study on Ca3CuMnO6 and Ca3Cu1-xMn1+xO6 (x = 0.07) samples.
DOI: 10.5286/isis.e.rb1820226
title: Stacking dependence and spin-Peierls state in layered, triangular cluster magnet Nb3Br8

description: Materials containing triangular structures of magnetic moment are an important pathway to studying unconventional magnetic phenomena that arise from the geometrical frustration. In particular, van-der-Waals (vdW) containing 2D frustrated layers of magnetic moments have been at forefront of studying new materials that can be utilised in creating nano-scale heterostructures and devices. Nb3Br8 is such a vdW compound in which Nb3Br13 clusters form effective spin-1/2 objects that occupy 2D triangular layers. The stacking of these layers changes dramatically at a phase transition near 385K. The low temperature magnetic behaviour indicates a spin-Peierls gap opening, but alternative models exist. We propose to investigate the magnetic ground state, putative spin-Peierls gap and the electron spin dynamics as a function of temperature with positive muons as local magnetic probes.
DOI: 10.5286/isis.e.rb1820275
title: Investigation of magnetic excitations of spin-chain oxides Sr4-xCaxMn2CoO9

description: The Sr(4-x)Ca(x)Mn2CoO9 compounds are geometrically frustrated transition metal (TM) oxide, which present a variety of interrelated magnetic behavior. The (Mn,Co) TM form a triangular lattice of spin-chain with one CoO6 trigonal prism alternating with two MnO6 octahedra along the chain . The magnetic, specific heat and powder neutron diffraction measurements show that these compounds evolve from single ion magnetism (SIM) behavior to a long range magnetic order (LRO) with Ca doping, with a persistent single chain magnetic (SCM) behavior. In addition we observed a magnetoelectric coupling (ME). The proposed INS investigation will enable us to understand the nature of magnetic ground state and details spin dynamics, which in turns will help us to understand the mechanism of ME coupling and the significant role of non-magnetic ions (Ca/Sr) on this complex magnetism.
DOI: 10.5286/isis.e.rb1820583
title: Quantification of the iodine content in a conducting polymer: polythiophene

description: Polymeric solar cells are a promising alternative for producing clean and renewable energy due to the possibility of fabricating them onto large areas of lightweight, flexible substrates by solution processing at low cost. In this context, oligothiophenes and polythiophenes are attracting increasing interest because they offer a range of promising properties. The conductivity of the materials is increased by doping with an electron acceptor  and iodine is commonly used for this purpose. The properties crucially depend on the doping level. The aim of this proposal is to test whether VESUVIO can quantify both the amount of iodine present and the sulfur:iodine ratio in polythiophene. We will measure both a doped polythiophene and a compound of fixed and known stoichiometry, 2,5-diiodothiophene.
DOI: 10.5286/isis.e.rb1810141
title: Na-ion diffusion mechanisms in NaxFe1/2Mn1/2O2 cathode materials

description: NaxFe1/2Mn1/2O2 has been identified as a potential cathode material for Na-ion batteries since it has comparable electrochemical performance to commercially available Li-ion cathodes and it is composed entirely of abundant elements. For x = 1 it has the same crystal structure as O3-LixCoO2, whereas for x = 2/3 it has the P2-NaxCoO2 structure. In both cases the planes of Na ions are sandwiched between O planes, but the difference in the stacking sequence of hexagonal planes leads to very different diffusion mechanisms. We propose to study the diffusion mechanism in two large powder samples of these compounds using quasi-elastic neutron scattering, taking advantage of the low instrumental background and repetition-rate multiplication on LET.
DOI: 10.5286/isis.e.rb1810224
title: Is there magnetic order in intrinsically frustrated rare earth bilayer aluminates?

description: Compounds with formula R2SrAl2O7 (R=rare earth) look superficially similar to the well-known bilayer manganites, but here the perovskite bilayers contain Al and are nonmagnetic. They efficiently separate the rare earth and Sr containing magnetic rock-salt layers. When R=Sm, these rock salt layers contain Sm and Sr in a 2:1 ratio, but because of their different sizes the Sm and Sr cations occupy different sites.  The only magnetic ions, Sm3+, then form two, well separated, square 2D lattices lying on top of each other and nearest-neighbour antiferromagnetic interactions imply a magnetic structure which would result in a 2-in, 2-out structure, reminiscent of spin ice. Magnetic measurements do not show magnetic order down to 1.8 K, but the susceptibility indicates competing interactions.  Muons can resolve the ground state in this and compounds with other R ions.
DOI: 10.5286/isis.e.rb1810643
title: Muons for Energy Nanonics

description: LiFePO4 (LFP) is a commercially applied cathode material for lithium ion batteries. With its Li ion hopping predominantly occurring along one-dimensional channels, LFP  is a  very good case study material for nanoeffects in Li ion dynamics. In an earlier work, we studied extensively the effect of confinement of fully lithiated LFP with muSR using the emu system. Now as a continuation, we would like to study ion diffusion in partially delithiated LixFePO4 (x&lt;1) nanoparticles. In our lab we developed a protocol prepare these samples in electrochemical cells which allows us to select very accurately the degree of delithiation. With this experiment we hope to gain further insights about the dynamics in LFP nanoparticles when cycled under typical battery conditions.
DOI: 10.5286/isis.e.rb1820274
title: The mode of action of a novel disruptive antimicrobial technology on model membranes.

description: A Unilever proprietary technology has been shown to inhibit biofilm growth and development, and is also found to possess antimicrobial activity, effective both as a broad-spectrum antibacterial and as an antifungal agent. This is unusual and requires both specific and holistic understanding of the agents mode of action at a molecular level. In the studies proposed here (performed using the technique of small angle neutron scattering), we aim to determine the effect of this potential new drug on model fungal, bacterial and mammalian cell membranes. We hope then to elucidate the key common factors which render the technology effective in controlling biofilm formation as well as exploring the its impact on different infective organisms.
DOI: 10.5286/isis.e.rb1820338
title: Chasing the hydrogen-saturated defects in tungsten with Muon spectroscopy

description: The structure and dynamics of hydrogen (H) defects in tungsten recently become a topic of major interest since this metal has been chosen as shielding material for the next step fusion device ITER.With the help of muon spin relaxation and rotation, which are not limited by the dilution of H, we plan to explore samples specifically prepared with proton irradiation to have a damage profile constituted by mono-vacancies and dislocations. Ultimately, the object of our study is to obtain further understanding of the location of H and of its behaviour in tungsten, starting from low temperatures, where a static muon will mimic H trapped in materials' defects, up to several hundred degrees, where dynamics will take place after the release of H from the trapping sites.