cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010318-1
title: Measuring Radiation Effects on Robotic Systems

description: Performance degradation analysis of the sensors and embedded computing systems in the radiation-rich environment is a research area for nuclear robotics. In this perspective, a couple of experiments are proposed to capture the neutron-induced noise various camera, sensors and ZYNQ FPGA. The experiments are designed to maintain a log of the data from the irradiated devices to a wide neutron fluence range. The captured data will be useful in modelling the device under test (DUT) performance degradation as the function of the neutron fluence. Such models can be useful for researchers planning similar deployments and for algorithms facilitating radiation robust operation. The degradation analysis requires periodic irradiation of the DUT from a high flux collimated neutron beam, and a 72-hour beam time at the ChipIR facility is ideal to support the said need.
DOI: 10.5286/isis.e.rb2000176
title: Inelastic neutron spectrum of hexagonal Ba3Tb(BO3)3

description: We have synthesised a new low-temperature structure of Ba3Tb(BO3)3 with unusual magnetic properties including possible short-range ordering at low temperatures. This proposal is for inelastic neutron scattering on this material at a range of temperatures in order to investigate its magnetic excitation energy spectrum.
DOI: 10.5286/isis.e.rb2000176-1
title: Inelastic neutron spectrum of hexagonal Ba3Tb(BO3)3

description: We have synthesised a new low-temperature structure of Ba3Tb(BO3)3 with unusual magnetic properties including possible short-range ordering at low temperatures. This proposal is for inelastic neutron scattering on this material at a range of temperatures in order to investigate its magnetic excitation energy spectrum.
DOI: 10.5286/isis.e.rb2010097
title: Probing the diffusion of benzyl alcohol over LSPR-assisted synthesised PdAu nanoparticles within hierarchical catalysts

description: We have immobilised PdAu bimetallic nanoparticles (NPs) for the first time on hierarchical SAPO-5. Hierarchically-porous (HP) zeotype materials (possessing micro- and meso-pores) have been recently developed, offering improved access to intra-framework active sites, as in mesoporous materials, yet retaining the selectivity of the microporous (MP) bulk. PdAu bimetallic NPs supported on a HP-SAPO-5 framework display enhanced catalytic activities over their MP analogues. We predict that the large difference in the catalytic activities of HP and MP frameworks is due to the hindrance in the mobility of the substrate molecules which can be studied by QENS spectroscopy. The effect of mesopores on the diffusion will give us an insight into the catalytic pathway and interaction of substrate molecules with the support materials.
DOI: 10.5286/isis.e.rb2010097-1
title: Probing the diffusion of benzyl alcohol over LSPR-assisted synthesised PdAu nanoparticles within hierarchical catalysts

description: We have immobilised PdAu bimetallic nanoparticles (NPs) for the first time on hierarchical SAPO-5. Hierarchically-porous (HP) zeotype materials (possessing micro- and meso-pores) have been recently developed, offering improved access to intra-framework active sites, as in mesoporous materials, yet retaining the selectivity of the microporous (MP) bulk. PdAu bimetallic NPs supported on a HP-SAPO-5 framework display enhanced catalytic activities over their MP analogues. We predict that the large difference in the catalytic activities of HP and MP frameworks is due to the hindrance in the mobility of the substrate molecules which can be studied by QENS spectroscopy. The effect of mesopores on the diffusion will give us an insight into the catalytic pathway and interaction of substrate molecules with the support materials.
DOI: 10.5286/isis.e.rb2010201
title: Study of the magnetization reversal mechanism in antiferromagnetic interlayer exchange coupling in LaCaMnO/CaRuTiO superlattices

description: In the year of 2017, our group reported the antiferromagnetic interlayer exchange coupling (AF-IEC) in La2/3Ca1/3MnO3/CaRu1/2Ti1/2O3 superlattices, which is the first time the AF-IEC phenomenon observed in an all-oxide-based system. The results have attracted wide attention for the delicate step-like reversal of magnetic moments in different layers. However, the exact micro-scale reversal mechanism cannot be revealed by traditional measurements. To solve the question, we need to obtain the magnetic depth profile in different states, that is, the ferromagnetic, the antiferromagnetic and the intermediate state. Polarized neutron reflectometry is a powerful tool to clarify the microscopic magnetic structure and help to figure out the crucial physical issues.
DOI: 10.5286/isis.e.rb2010201-1
title: Study of the magnetization reversal mechanism in antiferromagnetic interlayer exchange coupling in LaCaMnO/CaRuTiO superlattices

description: In the year of 2017, our group reported the antiferromagnetic interlayer exchange coupling (AF-IEC) in La2/3Ca1/3MnO3/CaRu1/2Ti1/2O3 superlattices, which is the first time the AF-IEC phenomenon observed in an all-oxide-based system. The results have attracted wide attention for the delicate step-like reversal of magnetic moments in different layers. However, the exact micro-scale reversal mechanism cannot be revealed by traditional measurements. To solve the question, we need to obtain the magnetic depth profile in different states, that is, the ferromagnetic, the antiferromagnetic and the intermediate state. Polarized neutron reflectometry is a powerful tool to clarify the microscopic magnetic structure and help to figure out the crucial physical issues.
DOI: 10.5286/isis.e.rb2010526
title: Aluminium Oxide Nanoparticles Functionalized with Green High/Low Surface Energy Materials for Oil Recovery Applications.

description: The study of improving hydrocarbon recovery has attracted a great deal of resources in many disciplines. Introducing nanoparticles as an additive to the fluid have shown promise results in changing the reservoir properties through different mechanisms that include wettability and interfacial tension reduction. The research topic is Green Low Surface Energy Materials: using aluminium oxide nanoparticles modified by different carboxylic acids (shown in Figure 1) to obtain various hydrophobicity degree. The purpose of this study is to find out whether the structure behaviour and size of nanoparticle aggregates changes in presence of chemical agents (surfactants) at ambient and reservoir conditions and to obtain the best NPs/surfactant formulation for EOR applications.
DOI: 10.5286/isis.e.rb2010526-1
title: Aluminium Oxide Nanoparticles Functionalized with Green High/Low Surface Energy Materials for Oil Recovery Applications.

description: The study of improving hydrocarbon recovery has attracted a great deal of resources in many disciplines. Introducing nanoparticles as an additive to the fluid have shown promise results in changing the reservoir properties through different mechanisms that include wettability and interfacial tension reduction. The research topic is Green Low Surface Energy Materials: using aluminium oxide nanoparticles modified by different carboxylic acids (shown in Figure 1) to obtain various hydrophobicity degree. The purpose of this study is to find out whether the structure behaviour and size of nanoparticle aggregates changes in presence of chemical agents (surfactants) at ambient and reservoir conditions and to obtain the best NPs/surfactant formulation for EOR applications.
DOI: 10.5286/isis.e.rb2070001
title: Magnetism and Superconductivity in under-doped region of T*-type La1-x/2Eu1-x/2SrxCuO4-yFy

description: We propose the muSR measurements on La0.91Eu0.91Sr0.18CuO4-yFy, which has CuO5 pyramid structure with five coordination of Cu ions, to investigate the ground state of the parent compound and the doping evolution of magnetism in T*-type cuprate. After the discovery of superconductivity in parent T’-type RE2CuO4 (RE = Rare earth) without cation substitution, the relationship between Cu coordination and the physical properties of lamellar cuprate oxide have been intensively studied. T*-type cuprate provides a unique opportunity to complement the lack of basic knowledge for this issue. However, no experimental study on magnetism in the under-doped region of T*-type cuprate has been reported. In this study, combined with the magnetic susceptibility measurement and our previous works, we complete the phase diagram for both as-sintere and oxygen annealed samples of T*-type cuprate.
DOI: 10.5286/isis.e.rb2070001-1
title: Magnetism and Superconductivity in under-doped region of T*-type La1-x/2Eu1-x/2SrxCuO4-yFy

description: We propose the muSR measurements on La0.91Eu0.91Sr0.18CuO4-yFy, which has CuO5 pyramid structure with five coordination of Cu ions, to investigate the ground state of the parent compound and the doping evolution of magnetism in T*-type cuprate. After the discovery of superconductivity in parent T’-type RE2CuO4 (RE = Rare earth) without cation substitution, the relationship between Cu coordination and the physical properties of lamellar cuprate oxide have been intensively studied. T*-type cuprate provides a unique opportunity to complement the lack of basic knowledge for this issue. However, no experimental study on magnetism in the under-doped region of T*-type cuprate has been reported. In this study, combined with the magnetic susceptibility measurement and our previous works, we complete the phase diagram for both as-sintere and oxygen annealed samples of T*-type cuprate.
DOI: 10.5286/isis.e.rb2010528
title: Cellulose based Carbon Molecular Sieve Membranes stable to oxygen chemisorption, upon propylene (C3H6) treatment - An INS study on Maps

description: Carbon molecular sieve membranes (CMSM) are very promising candidates for the purification of gases, including for example the purification of oxygen for medical applications. CMSM exhibit several advantages compared to other membranes, such as higher thermal and chemical resistance and higher permeabilities and selectivities.Our group has been developing cellulose based CMSM with high separation performances. Although these membranes suffer aging and performance degradation after long exposures to air atmosphere, propylene can be used as a cleaning agent to restore their initial properties. However, the mechanism of this cleaning action of propylene is still not well understood.In this work we propose to use Inelastic Neutron Scattering (INS), performed on MAPS instrument, to study the effect of the propylene treatments on the surface chemistry of our cellulose based CMSM.
DOI: 10.5286/isis.e.rb2010528-1
title: Cellulose based Carbon Molecular Sieve Membranes stable to oxygen chemisorption, upon propylene (C3H6) treatment - An INS study on Maps

description: Carbon molecular sieve membranes (CMSM) are very promising candidates for the purification of gases, including for example the purification of oxygen for medical applications. CMSM exhibit several advantages compared to other membranes, such as higher thermal and chemical resistance and higher permeabilities and selectivities.Our group has been developing cellulose based CMSM with high separation performances. Although these membranes suffer aging and performance degradation after long exposures to air atmosphere, propylene can be used as a cleaning agent to restore their initial properties. However, the mechanism of this cleaning action of propylene is still not well understood.In this work we propose to use Inelastic Neutron Scattering (INS), performed on MAPS instrument, to study the effect of the propylene treatments on the surface chemistry of our cellulose based CMSM.
DOI: 10.5286/isis.e.rb2010648
title: Structural Study of the Folding of a Small β Hairpin Protein

description: The method by which proteins adopt their native conformation based on their amino acid sequence and the interactions with their solvent environment remains an area of active research. We aim to understand the intramolecular residue-residue interactions and residue-solvent interactions involved in the formation of a β hairpin by studying the thermal denaturation of the 10 amino acid long β hairpin protein. By completing a temperature dependent neutron scattering experiment, we will have access to structural details of the thermal denaturation of this model protein, including when the protein is fully folded, when the protein is at an intermediate unfolding state, and when the protein is completely unfolded. The results of these experiments will help in the understanding of the general mechanism of protein folding, particularly the formation of β sheets.
DOI: 10.5286/isis.e.rb2010648-1
title: Structural Study of the Folding of a Small β Hairpin Protein

description: The method by which proteins adopt their native conformation based on their amino acid sequence and the interactions with their solvent environment remains an area of active research. We aim to understand the intramolecular residue-residue interactions and residue-solvent interactions involved in the formation of a β hairpin by studying the thermal denaturation of the 10 amino acid long β hairpin protein. By completing a temperature dependent neutron scattering experiment, we will have access to structural details of the thermal denaturation of this model protein, including when the protein is fully folded, when the protein is at an intermediate unfolding state, and when the protein is completely unfolded. The results of these experiments will help in the understanding of the general mechanism of protein folding, particularly the formation of β sheets.
DOI: 10.5286/isis.e.rb2010702
title: High Resolution Neutron Diffraction Studies of Exsolved Perovskites

description: Recent studies in our laboratory have shown that a range of A-site deficient perovskite oxides, with carefully tuned chemical compositions, exhibit properties such as excellent catalytic performance and resistance to coking. The key to this performance is the migration of cations from the bulk single phase material to the surface of the material under reducing conditions. Exsolution is not a decomposition process as the perovskite phase remains although it is altered compositionally and structurally. This is achieved by control of the defect chemistry of the perovskite, by choice of composition and experimental conditions. Therefore the main aim of this experiment is to obtain high resolution neutron diffraction data, in order to gain a deeper understanding of how the structure of the perovskite changes following the exsolution process.
DOI: 10.5286/isis.e.rb2010702-1
title: High Resolution Neutron Diffraction Studies of Exsolved Perovskites

description: Recent studies in our laboratory have shown that a range of A-site deficient perovskite oxides, with carefully tuned chemical compositions, exhibit properties such as excellent catalytic performance and resistance to coking. The key to this performance is the migration of cations from the bulk single phase material to the surface of the material under reducing conditions. Exsolution is not a decomposition process as the perovskite phase remains although it is altered compositionally and structurally. This is achieved by control of the defect chemistry of the perovskite, by choice of composition and experimental conditions. Therefore the main aim of this experiment is to obtain high resolution neutron diffraction data, in order to gain a deeper understanding of how the structure of the perovskite changes following the exsolution process.
DOI: 10.5286/isis.e.rb2010031-3
title: The structure of ruthenium pentacarbonyl: comparison to iron pentacarbonyl

description: Of the metal carbonyls, iron pentacarbonyl, Fe(CO)5, is iconic: it was first reported in 1891 and was only the second metal carbonyl to be discovered, the structure is that of a trigonal bipyramid. There is no neutron diffraction data for Fe(CO)5. The only characterisation of the ruthenium congener of Fe(CO)5, Ru(CO)5, is a gas phase electron diffraction structure and infrared spectra in the C≡O stretch region. We propose to carry out the first structural and spectroscopic (a parallel proposal for TOSCA has been submitted) characterisation of Ru(CO)5. As the only structural determinations of Fe(CO)5, were carried out near the melting point, we also wish to measure this at 10 K for comparison with the INS data. This work will allow a detailed structural comparison of Fe(CO)5 and Ru(CO)5, in particular there is still debate as to whether the equatorial and axial M–C bonds are different.
DOI: 10.5286/isis.e.rb2010031-4
title: The structure of ruthenium pentacarbonyl: comparison to iron pentacarbonyl

description: Of the metal carbonyls, iron pentacarbonyl, Fe(CO)5, is iconic: it was first reported in 1891 and was only the second metal carbonyl to be discovered, the structure is that of a trigonal bipyramid. There is no neutron diffraction data for Fe(CO)5. The only characterisation of the ruthenium congener of Fe(CO)5, Ru(CO)5, is a gas phase electron diffraction structure and infrared spectra in the C≡O stretch region. We propose to carry out the first structural and spectroscopic (a parallel proposal for TOSCA has been submitted) characterisation of Ru(CO)5. As the only structural determinations of Fe(CO)5, were carried out near the melting point, we also wish to measure this at 10 K for comparison with the INS data. This work will allow a detailed structural comparison of Fe(CO)5 and Ru(CO)5, in particular there is still debate as to whether the equatorial and axial M–C bonds are different.
DOI: 10.5286/isis.e.rb2010274
title: Neutron diffraction study of spatially distorted triangular lattice TlFe(MoO4)2

description: Triangular lattice antiferromagnets are of significant interest due to the fact that they host unusual magnetically ordered ground states or disordered phases or and/or display multiferroic properties. We propose a neutron diffraction study of a new triangular lattice compound TlFe(MoO4)2 which reveals two successive magnetic phase transitions featuring what appears to be a commensurate to incommensurate phase transition on the basis of Mossbauer spectroscopy. It is possible that the incommensurate phase harbour the existence of multiferroic properties. This proposal aims to solve the magnetic structures corresponding to the two phases by collecting the best possible neutron data on this compounds and provide insights into the understanding of the triangular lattice frustrated systems and multiferroicity..
DOI: 10.5286/isis.e.rb2010274-1
title: Neutron diffraction study of spatially distorted triangular lattice TlFe(MoO4)2

description: Triangular lattice antiferromagnets are of significant interest due to the fact that they host unusual magnetically ordered ground states or disordered phases or and/or display multiferroic properties. We propose a neutron diffraction study of a new triangular lattice compound TlFe(MoO4)2 which reveals two successive magnetic phase transitions featuring what appears to be a commensurate to incommensurate phase transition on the basis of Mossbauer spectroscopy. It is possible that the incommensurate phase harbour the existence of multiferroic properties. This proposal aims to solve the magnetic structures corresponding to the two phases by collecting the best possible neutron data on this compounds and provide insights into the understanding of the triangular lattice frustrated systems and multiferroicity..
DOI: 10.5286/isis.e.rb1969005
title: Mesoscale structure of nanoparticles in attractive polymer nanocomposites

description: Dispersing nanoparticles (NPs) into polymers results in unexpected and remarkable changes in macroscopic properties of the resulting composites (PNCs). The properties of PNCs are primarily controlled by the polymer-NP interaction that also determines the NP dispersion state. Repulsive or neutral polymer-NP interaction often leads to phase-separated or self-assembled superstructures and their percolation within the soft matrix dominates the mechanical reinforcement. Favourable polymer-NP interaction facilitates polymer adsorption on NP surfaces and, in most cases, results in good dispersion of bare particles in polymers. However, the detailed mechanism is not well-understood.We believe that a combination of SANS and SESANS can yield significant information on these structures over ~5 orders of magnitude. Our goal ss to unravel such ‘hidden network’ of particles by SANS and SESANS.
DOI: 10.5286/isis.e.rb1969005-1
title: Mesoscale structure of nanoparticles in attractive polymer nanocomposites

description: Dispersing nanoparticles (NPs) into polymers results in unexpected and remarkable changes in macroscopic properties of the resulting composites (PNCs). The properties of PNCs are primarily controlled by the polymer-NP interaction that also determines the NP dispersion state. Repulsive or neutral polymer-NP interaction often leads to phase-separated or self-assembled superstructures and their percolation within the soft matrix dominates the mechanical reinforcement. Favourable polymer-NP interaction facilitates polymer adsorption on NP surfaces and, in most cases, results in good dispersion of bare particles in polymers. However, the detailed mechanism is not well-understood.We believe that a combination of SANS and SESANS can yield significant information on these structures over ~5 orders of magnitude. Our goal ss to unravel such ‘hidden network’ of particles by SANS and SESANS.
DOI: 10.5286/isis.e.rb2010184
title: Magnetic order in the zigzag-chain antiferromagnet Na2VO(SO4)2

description: We seek to investigate the formation of long-range magnetic order in the zigzag-chain antiferromagnet Na2VO(SO4)2, where helical order should arise from the competition between ferromagnetic nearest-neighbor (J1) and antiferromagnetic next-nearest-neighbor (J2) couplings along the spin chains. Using muons as a sensitive probe of local magnetic fields, we want to detect long-range magnetic order in Na2VO(SO4)2 and determine the Neel temperature, which is needed for planning the neutron experiments. Additionally, the presence of several oscillation frequencies in the ordered state will support our conjecture on the incommensurate (helical) magnetic structure. This will establish Na2VO(SO4)2 as a reference system for isotypic but more complex vanadium-based materials, such as beta-TeVO4 with its enigmatic sequence of magnetic transitions and two different helixplanes within one structure.
DOI: 10.5286/isis.e.rb2010184-1
title: Magnetic order in the zigzag-chain antiferromagnet Na2VO(SO4)2

description: We seek to investigate the formation of long-range magnetic order in the zigzag-chain antiferromagnet Na2VO(SO4)2, where helical order should arise from the competition between ferromagnetic nearest-neighbor (J1) and antiferromagnetic next-nearest-neighbor (J2) couplings along the spin chains. Using muons as a sensitive probe of local magnetic fields, we want to detect long-range magnetic order in Na2VO(SO4)2 and determine the Neel temperature, which is needed for planning the neutron experiments. Additionally, the presence of several oscillation frequencies in the ordered state will support our conjecture on the incommensurate (helical) magnetic structure. This will establish Na2VO(SO4)2 as a reference system for isotypic but more complex vanadium-based materials, such as beta-TeVO4 with its enigmatic sequence of magnetic transitions and two different helixplanes within one structure.
DOI: 10.5286/isis.e.rb1968066
title: Crystal Structure and Temperature Induced Phase transitions in Novel Bi2-xMxWO6 (M= Ce & Fe; 0.2 &lt; x &lt; 1.0) Multifunctional Nanomaterials

description: We have synthesized novel multifunctional Bi2-xMxWO6 (M=Ce,Fe; 0.2
DOI: 10.5286/isis.e.rb1968066-1
title: Crystal Structure and Temperature Induced Phase transitions in Novel Bi2-xMxWO6 (M= Ce & Fe; 0.2 &lt; x &lt; 1.0) Multifunctional Nanomaterials

description: We have synthesized novel multifunctional Bi2-xMxWO6 (M=Ce,Fe; 0.2