cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010252-1
title: Kinetics of the formation of large anisotropic zirconia particles followed by combined SANS/SEMSANS

description: This proposal aims to investigate the formation mechanism of anisotropic zirconia micron-sized particles, formed in solution by mixing a surfactant and the zirconia precursor; in order to better understand the role of the surfactant and be able to do rational design. Effect of the type of surfactant, temperature, and reactants quantities will be studied. The combined SANS/SEMSANS setup available in Larmor will allow us probing simultaneously the interactions between surfactant and zirconia species in solution at the nm-scale, and the growth of the particles at the µm-scale.
DOI: 10.5286/isis.e.rb2010495
title: Spin dynamics in the new Pr-pyrochlore Pr2Pt2O7

description: Pr-based pyrochlores Pr2B2O7 (where B = Sn, Zr, Hf) have been considered as U(1) spin liquid, candidates because they do not show long-range magnetic order down to tens of mK. We have successfully synthesized polycrystalline samples of a new Pr-pyrochlore Pr2Pt2O7 using a high-pressure technique. Heat capacity measurements show a peak at ~150 mK attributed to either magnetic order, spin freezing, or a Schottky anomaly, while the ac susceptibility vs temperature data exhibit a frequency-dependence in both the real and imaginary components which is reminiscent of glassy freezing with some persistent dynamics. We propose to carry out muon spectroscopy experiments using MuSR to investigate the spin dynamics in this new Pr-pyrochlore Pr2Pt2O7.
DOI: 10.5286/isis.e.rb2010495-1
title: Spin dynamics in the new Pr-pyrochlore Pr2Pt2O7

description: Pr-based pyrochlores Pr2B2O7 (where B = Sn, Zr, Hf) have been considered as U(1) spin liquid, candidates because they do not show long-range magnetic order down to tens of mK. We have successfully synthesized polycrystalline samples of a new Pr-pyrochlore Pr2Pt2O7 using a high-pressure technique. Heat capacity measurements show a peak at ~150 mK attributed to either magnetic order, spin freezing, or a Schottky anomaly, while the ac susceptibility vs temperature data exhibit a frequency-dependence in both the real and imaginary components which is reminiscent of glassy freezing with some persistent dynamics. We propose to carry out muon spectroscopy experiments using MuSR to investigate the spin dynamics in this new Pr-pyrochlore Pr2Pt2O7.
DOI: 10.5286/isis.e.rb2010394
title: A study of proton hopping kinetics in polar metal oxides

description: Proton diffusion kinetics of Ru-doped metal oxides including polar and non-polar MgO and Mg3N2 under different temperatures will be investigated by an in-situ quasi-elastic neutron scattering (QENS) technique. Combined with computational modelling such as density functional theory (DFT) calculations and molecular dynamics (MD) simulations, QENS data are expected to provide information about proton microscopic transport coefficients as well as energetics of diffusion, enabling an understanding of the proton transfer pathway across close-packed oxygen/ nitrogen polar surfaces. This work will lead to a more rational design of high-temperature proton-conducting material that will be used in proton exchange membrane fuel cell.
DOI: 10.5286/isis.e.rb2010394-1
title: A study of proton hopping kinetics in polar metal oxides

description: Proton diffusion kinetics of Ru-doped metal oxides including polar and non-polar MgO and Mg3N2 under different temperatures will be investigated by an in-situ quasi-elastic neutron scattering (QENS) technique. Combined with computational modelling such as density functional theory (DFT) calculations and molecular dynamics (MD) simulations, QENS data are expected to provide information about proton microscopic transport coefficients as well as energetics of diffusion, enabling an understanding of the proton transfer pathway across close-packed oxygen/ nitrogen polar surfaces. This work will lead to a more rational design of high-temperature proton-conducting material that will be used in proton exchange membrane fuel cell.
DOI: 10.5286/isis.e.rb2010394-2
title: A study of proton hopping kinetics in polar metal oxides

description: Proton diffusion kinetics of Ru-doped metal oxides including polar and non-polar MgO and Mg3N2 under different temperatures will be investigated by an in-situ quasi-elastic neutron scattering (QENS) technique. Combined with computational modelling such as density functional theory (DFT) calculations and molecular dynamics (MD) simulations, QENS data are expected to provide information about proton microscopic transport coefficients as well as energetics of diffusion, enabling an understanding of the proton transfer pathway across close-packed oxygen/ nitrogen polar surfaces. This work will lead to a more rational design of high-temperature proton-conducting material that will be used in proton exchange membrane fuel cell.
DOI: 10.11583/dtu.14229518
title: Turbulence measurements from the two Equinox masts

description: This dataset consists of raw data and 10-minute statistics of wind speed and wind direction measurements from two met mast at Equinox, Manchester, VT. The period includes 2 years of measurements, which starts in 1990.<br>Detailed site documentation is available here.<br><br><b>Data files</b>, NetCDF format:1) equinox_all.nc2) equinox_concurrent.nc<br>Raw time series, (ascii) each with a duration of 3600 sec and sampled with 5 Hz::3) equinox.zip<br>
DOI: 10.5286/isis.e.rb2010660
title: Surface segregation and blooming of crystallisable melt-processing additives

description: Melt processing additives are used to facilitate processing and deliver bespoke properties to polymer surfaces. At present the process by which they migrate to surfaces or interfaces is poorly understood and often inefficient. We propose to use NR to study the surface and interfacial segregation of two melt processing additives in polyethylene; one which has a melting point slightly above that of PE and the other which melts lower temperatures than PE. We wish to understand how the sequence of cooling and crystallisation may manipulate surface or interfacial segregation and particularly to resolve this on the nanometre scale with NR in the melt state. Results will complement our room temperature studies of crystalline PE with the same additives by ion beam analysis and contact angle analysis to provide a complete picture of the role of additive and matrix crystallinity in segregation.
DOI: 10.5286/isis.e.rb2010660-1
title: Surface segregation and blooming of crystallisable melt-processing additives

description: Melt processing additives are used to facilitate processing and deliver bespoke properties to polymer surfaces. At present the process by which they migrate to surfaces or interfaces is poorly understood and often inefficient. We propose to use NR to study the surface and interfacial segregation of two melt processing additives in polyethylene; one which has a melting point slightly above that of PE and the other which melts lower temperatures than PE. We wish to understand how the sequence of cooling and crystallisation may manipulate surface or interfacial segregation and particularly to resolve this on the nanometre scale with NR in the melt state. Results will complement our room temperature studies of crystalline PE with the same additives by ion beam analysis and contact angle analysis to provide a complete picture of the role of additive and matrix crystallinity in segregation.
DOI: 10.11583/dtu.14229518.v1
title: Turbulence measurements from the two Equinox masts

description: This dataset consists of raw data and 10-minute statistics of wind speed and wind direction measurements from two met mast at Equinox, Manchester, VT. The period includes 2 years of measurements, which starts in 1990.<br>Detailed site documentation is available here.<br><br><b>Data files</b>, NetCDF format:1) equinox_all.nc2) equinox_concurrent.nc<br>Raw time series, (ascii) each with a duration of 3600 sec and sampled with 5 Hz::3) equinox.zip<br>
DOI: 10.5286/isis.e.rb2010218
title: Effect of cations on bacterial lipopolysaccharides (LPS) self-assembled structures

description: Lipopolysaccharides (LPS) is a key structural component of the outer membrane of gram-negative bacteria. LPS can trigger lethal septic shocks when released into a host’s bloodstream (i.e. the endotoxic effect). Cations can complex with LPS and lead to LPS aggregates structure transformation, which affects bacterial membrane integrity and LPS virulence. Here, we propose a small-angle neutron scattering study (SANS) of self-assembled structures formed by different LPS chemotypes in solutions of different cations at near physiological conditions. We will vary the cation valency (comparing monovalent (Na+), divalent (Ca2+) and multivalent cations (La3+)), as well as the LPS architecture, i.e. its carbohydrate head group length (LPS-smooth, LPS-Ra and LPS-Rd). We also propose to investigate the temperature effect on these systems.
DOI: 10.5286/isis.e.rb2010218-1
title: Effect of cations on bacterial lipopolysaccharides (LPS) self-assembled structures

description: Lipopolysaccharides (LPS) is a key structural component of the outer membrane of gram-negative bacteria. LPS can trigger lethal septic shocks when released into a host’s bloodstream (i.e. the endotoxic effect). Cations can complex with LPS and lead to LPS aggregates structure transformation, which affects bacterial membrane integrity and LPS virulence. Here, we propose a small-angle neutron scattering study (SANS) of self-assembled structures formed by different LPS chemotypes in solutions of different cations at near physiological conditions. We will vary the cation valency (comparing monovalent (Na+), divalent (Ca2+) and multivalent cations (La3+)), as well as the LPS architecture, i.e. its carbohydrate head group length (LPS-smooth, LPS-Ra and LPS-Rd). We also propose to investigate the temperature effect on these systems.
DOI: 10.5286/isis.e.rb2000222
title: Quantum spin liquid in the triangular antiferromagnet NdTa7O19

description: A spin-liquid state was predicted for Ising triangular antiferromagnet already in 1950, but never confirmed experimentally. Several complementary experiments that we have undertaken on a novel triangular antiferromagnet NdTa7O19 suggest that it might be the first to realize this enigmatic state. Our previous INS study (RB 1920405) has revealed that its crystal-electric-field ground-state Kramers’ doublet is characterized by highly anisotropic Ising exchange interactions between effective spin-1/2 degrees of freedom, while our muSR study (RB 1910518), suggests a quantum-disordered ground state with low-frequency excitations that are found to persist down to at least 66 mK. This work was submitted to Nature Materials, where one of the Reviewers demands additional confirmation by a neutron diffraction at millikelvin temperatures. We therefore ask for rapid access to the WISH instrument.
DOI: 10.5286/isis.e.rb2000222-1
title: Quantum spin liquid in the triangular antiferromagnet NdTa7O19

description: A spin-liquid state was predicted for Ising triangular antiferromagnet already in 1950, but never confirmed experimentally. Several complementary experiments that we have undertaken on a novel triangular antiferromagnet NdTa7O19 suggest that it might be the first to realize this enigmatic state. Our previous INS study (RB 1920405) has revealed that its crystal-electric-field ground-state Kramers’ doublet is characterized by highly anisotropic Ising exchange interactions between effective spin-1/2 degrees of freedom, while our muSR study (RB 1910518), suggests a quantum-disordered ground state with low-frequency excitations that are found to persist down to at least 66 mK. This work was submitted to Nature Materials, where one of the Reviewers demands additional confirmation by a neutron diffraction at millikelvin temperatures. We therefore ask for rapid access to the WISH instrument.
DOI: 10.5286/isis.e.rb2010244-2
title: Neutron diffraction study of exotic magnetic order in the novel superconductor RbEuFe4As4

description: We propose to study magnetic structure of the novel iron-based superconductor RbEuFe4As4. This peculiar material exhibit superconductivity with a rather high Tc~36K and without any antiferromagnetic ordering of Fe magnetic moments unlike in the most common and well studied ”122” compounds. Surprisingly, bulk magnetisation measurements have provided the evidence of ferromagnetic ordering of the Eu2+ spins below Tm~15K. The first neutron diffraction measurement claims that magnetic Eu2+ sublattice has three-dimensional helical antiferromagnetic order. Moreover, recent theoretical work suggests that this helical magnetic structure appears due to the presence of the superconductivity. In order to check this theoretical prediction, we propose to perform a systematic temperature-dependent study of the magnetic structure in this material using single-crystal neutron diffraction at SXD.
DOI: 10.5286/isis.e.rb2010244-3
title: Neutron diffraction study of exotic magnetic order in the novel superconductor RbEuFe4As4

description: We propose to study magnetic structure of the novel iron-based superconductor RbEuFe4As4. This peculiar material exhibit superconductivity with a rather high Tc~36K and without any antiferromagnetic ordering of Fe magnetic moments unlike in the most common and well studied ”122” compounds. Surprisingly, bulk magnetisation measurements have provided the evidence of ferromagnetic ordering of the Eu2+ spins below Tm~15K. The first neutron diffraction measurement claims that magnetic Eu2+ sublattice has three-dimensional helical antiferromagnetic order. Moreover, recent theoretical work suggests that this helical magnetic structure appears due to the presence of the superconductivity. In order to check this theoretical prediction, we propose to perform a systematic temperature-dependent study of the magnetic structure in this material using single-crystal neutron diffraction at SXD.
DOI: 10.5286/isis.e.rb2010029
title: Elucidating Competing Magnetic Exchange Interactions in the Iron Oxalate Hybrid Framework Solid, KFe(C2O4)F

description: In crystalline solids, the geometric frustration of magnetic exchange interactions arising from the arrangement of magnetic moments on the crystal lattice can give rise to a diverse array of unconventional magnetic behaviours. Inorganic-organic hybrid framework solids offer a versatile playground in which to develop new materials to explore the physics of magnetic frustration as a wide variety of organic structural building units can be used to connect inorganic metal ion moments, thus controlling the magnetic topology and dimensionality of the material. Here we seek to explore the magnetic diffuse and inelastic scattering of one such new material, the hybrid framework solid, KFe(C2O4)F on the MARI spectrometer. Through the proposed experiment, we wish to understand the interplay between magnetic frustrated and low-dimensionality in this new material.
DOI: 10.5286/isis.e.rb2010029-1
title: Elucidating Competing Magnetic Exchange Interactions in the Iron Oxalate Hybrid Framework Solid, KFe(C2O4)F

description: In crystalline solids, the geometric frustration of magnetic exchange interactions arising from the arrangement of magnetic moments on the crystal lattice can give rise to a diverse array of unconventional magnetic behaviours. Inorganic-organic hybrid framework solids offer a versatile playground in which to develop new materials to explore the physics of magnetic frustration as a wide variety of organic structural building units can be used to connect inorganic metal ion moments, thus controlling the magnetic topology and dimensionality of the material. Here we seek to explore the magnetic diffuse and inelastic scattering of one such new material, the hybrid framework solid, KFe(C2O4)F on the MARI spectrometer. Through the proposed experiment, we wish to understand the interplay between magnetic frustrated and low-dimensionality in this new material.
DOI: 10.5286/isis.e.rb2000203
title: Phase mixing behaviour in evaporated thin films

description: The photovoltaic active layer of organic photovoltaics (OPVs) consists of a mixture of at least two kinds of energetically off-set organic molecules, which gives rise to a complex microstructure across multiple length scales from Angstroms to the micrometre scale. A common method to study the mixing of Polymer:Fullerene systems has been Small Angle Neutron Scattering (SANS), but it has so far remained unused for vacuum evaporated systems, which are closest to commercial viability. We have recently, successfully, demonstrated the use of SANS to study the mixing behaviour of OPV evaporated thin films as a function of composition and deposition conditions. We seek to expand upon our preliminary results to study the phase behaviour of vacuum evaporated thin films in terms of the domains sizes, shapes and purity to improve device performance.
DOI: 10.5286/isis.e.rb2000203-1
title: Phase mixing behaviour in evaporated thin films

description: The photovoltaic active layer of organic photovoltaics (OPVs) consists of a mixture of at least two kinds of energetically off-set organic molecules, which gives rise to a complex microstructure across multiple length scales from Angstroms to the micrometre scale. A common method to study the mixing of Polymer:Fullerene systems has been Small Angle Neutron Scattering (SANS), but it has so far remained unused for vacuum evaporated systems, which are closest to commercial viability. We have recently, successfully, demonstrated the use of SANS to study the mixing behaviour of OPV evaporated thin films as a function of composition and deposition conditions. We seek to expand upon our preliminary results to study the phase behaviour of vacuum evaporated thin films in terms of the domains sizes, shapes and purity to improve device performance.
DOI: 10.5286/isis.e.rb2010687
title: Curvature induced lipid phase separation studied with GISANS

description: Semiconductor nanowires are increasingly being used in life science to interface with cells. The first point of contact for a cell with a high aspect ratio nanowire is the cell membrane. The interaction between the cell membrane and the nanowires are not fully understood and with this proposal we will try to reveal the structure and composition of a three component lipid bilayer system covering Si nanowires. The lipid bilayer on the nanowires will function as a curved model membrane and will consist of a mixture of DOPC, brain spinghomyelin and cholesterol, which are know to form lipid rafts. This type of phase separation occurs naturally in a cell and can affect membrane fluidity. We will use the lipid mixture on Si nanowires as a simplified model system to study curvature induced phase separation of the lipids.
DOI: 10.5286/isis.e.rb2010687-1
title: Curvature induced lipid phase separation studied with GISANS

description: Semiconductor nanowires are increasingly being used in life science to interface with cells. The first point of contact for a cell with a high aspect ratio nanowire is the cell membrane. The interaction between the cell membrane and the nanowires are not fully understood and with this proposal we will try to reveal the structure and composition of a three component lipid bilayer system covering Si nanowires. The lipid bilayer on the nanowires will function as a curved model membrane and will consist of a mixture of DOPC, brain spinghomyelin and cholesterol, which are know to form lipid rafts. This type of phase separation occurs naturally in a cell and can affect membrane fluidity. We will use the lipid mixture on Si nanowires as a simplified model system to study curvature induced phase separation of the lipids.
DOI: 10.5286/isis.e.rb2010197
title: Investigation of the Dynamic Mechanism of Reflectin Color Change by QENS

description: Cephalopods skin has the ability to manipulate incident light with reflective cells to camouflage with their environment. This remarkable capability derives from structurally colored skin cells that form elaborate dielectric structures; a self-assembling protein called reflectin acts as an intracellular high-index material and the extracellular space acts as a low-index materialXie’s research group used a new purification method to obtain a self-assembled two-dimensional classification structure . They found that imidazole molecules interact with reflectin to induce more advanced assembly. However, the structural basis and dynamics remains largely unknown. So the study of reflectin structural function and kinetic characteristics is the focus and target of this research.
DOI: 10.5286/isis.e.rb2010197-1
title: Investigation of the Dynamic Mechanism of Reflectin Color Change by QENS

description: Cephalopods skin has the ability to manipulate incident light with reflective cells to camouflage with their environment. This remarkable capability derives from structurally colored skin cells that form elaborate dielectric structures; a self-assembling protein called reflectin acts as an intracellular high-index material and the extracellular space acts as a low-index materialXie’s research group used a new purification method to obtain a self-assembled two-dimensional classification structure . They found that imidazole molecules interact with reflectin to induce more advanced assembly. However, the structural basis and dynamics remains largely unknown. So the study of reflectin structural function and kinetic characteristics is the focus and target of this research.
DOI: 10.5286/isis.e.rb2010471
title: NR Study of the Membrane Intake Mechanism during the Plasmid Gene Delivery by a Microﬂuidic Synthetic Lipid Nanoparticle

description: With lipid nanoparticles (LNP) becoming an important vehicle for loading and delivering genes, it is ever crucial to understand how LNPs interact with cell membranes. Lack of understanding of the molecular processes across the membrane hinders our capability in controlling the delivery of genes into cells and associated cytotoxicity. To approach this challenging issue, we propose to produce a supported lipid bilayer (SLB) onto an optically flat silicon substrate from small uni-lamellar vesicles (SUVs) and follow their interactions with different LNPs with and without DNA. To enhance the resolution of NR, we could easily manipulate the H/D labelling to lipids inside the bilayer or in the LNPs and water. This is the time time such an experiment is going to be pursued from NR. From this work, we expect to gain first-hand information about the LNP-lipid bilayer interactive processes.
DOI: 10.5286/isis.e.rb2010471-1
title: NR Study of the Membrane Intake Mechanism during the Plasmid Gene Delivery by a Microﬂuidic Synthetic Lipid Nanoparticle

description: With lipid nanoparticles (LNP) becoming an important vehicle for loading and delivering genes, it is ever crucial to understand how LNPs interact with cell membranes. Lack of understanding of the molecular processes across the membrane hinders our capability in controlling the delivery of genes into cells and associated cytotoxicity. To approach this challenging issue, we propose to produce a supported lipid bilayer (SLB) onto an optically flat silicon substrate from small uni-lamellar vesicles (SUVs) and follow their interactions with different LNPs with and without DNA. To enhance the resolution of NR, we could easily manipulate the H/D labelling to lipids inside the bilayer or in the LNPs and water. This is the time time such an experiment is going to be pursued from NR. From this work, we expect to gain first-hand information about the LNP-lipid bilayer interactive processes.