cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1910396-2
title: Understanding the damage tolerance of fibre-reinforced ceramic matrix composites (FRCMCs) at ambient and elevated temperatures

description: Fiber reinforced ceramic matrix composites (FRCMCs) have numerous applications, such as engine components, rocket re-entry nozzles and military vehicles due to their light weight, combined strength and toughness at high temperature. With the commercialization of GE LEAP engine using a ceramic shrouds, FRCMC is regarded as a game changer in key engineering areas for high energy efficiency and safety. FRCMCs have a complex microstructure and as damage accumulates it shows non-linear stress-strain behaviour. This is exactly what we are going to study. Neutrons will tell us how much the lattice has deformed in the material under load; we then take digital images of the surface of the sample to calculate the total deformation. By comparing the two, the tolerance of damage in FRCMCs can be determined and correlated to its microstructure for optimizing the material design.
DOI: 10.5286/isis.e.rb1910466-2
title: Magnetic excitations in a spin-liquid candidate K2Ni2(SO4)3

description: In majority of magnetic compounds interactions between spins, that reside on magnetic ions, result in a long-range ordered state below a critical temperature. In some materials spins are arranged in triangles, which when coupled with antiferromagnetic interaction results in a strongly correlated magnetic system without long-range order (spin-liquids). Majority of research has been devoted to quasi-2D, S=1/2 systems, where quantum fluctuations are expected to play a dominant role. The title compound is different in several ways: i) Ni ions support S=1, which still allows significant quantum corrections, ii) it is a 3D system (cubic space group) without an inversion center (non-trivial topological properties) and iii) triangles form a network of pentagons, which increases the level of frustration. We wish to explore magnetic excitations in this system using inelastic neutron scattering.
DOI: 10.5286/isis.e.rb1910574
title: Investigating the superconducting and magnetic properties of a novel quasi-one-dimensional ternary molybdenum pnictide K2Mo3As3

description: A2Mo3As3 (A = alkali metal) is a brand-new novel family of molybdenum arsenide based quasi-one-dimensional (Q1D) superconductors with a transition temperature between 10.4 to 11.5 K, discovered just a couple of months ago. The crystal structure of these materials contains special Q1D (Mo3As3)2 linear chains separated by columns of alkali metal cations. Since Mo and Cr belong to the same group of transition metals with similar electronic configuration, A2Mo3As3 superconductors, like their sister families A2Cr3As3 and A1Cr3As3, expected to show exotic superconducting properties. We propose to study the magnetic properties of K2Mo3As3 using zero-field and longitudinal-field µSR measurements and superconducting properties, especially the superconducting pairing mechanism from gap symmetry using transverse-field µSR measurements. We ask for 4 days of MuSR beamtime for the proposed study.
DOI: 10.5286/isis.e.rb1920232
title: Spin-wave study of a new pyrochlore Heisenberg antiferromagnet - Gd2Pt2O7

description: We propose a study of the spin-waves of a newly synthesised AF pyrochlore antiferromagnet, Gd2Pt2O7 on LET in zero field. Previous polarized neutron diffraction experiments on our isotopically enriched sample reveal a low temperature co-planar k=0 magnetic structure, akin to Gd2Sn2O7. However further near neighbour exchanges via the 5d Pt eg orbitals are likely, manifesting in an enhanced T_N. Monte-Carlo modelling of the paramagnetic S(Q) supports this picture, but direct measurements of the spin-waves are now required to quantify the level of further near neighbour exchange. We have a 0.25 g sample, which from previous experience (on Gd2Ti2O7 samples of similar mass on CNCS and DCS) is sufficient mass to see the spin waves. We ask for 2 days on LET to complete this study.
DOI: 10.5286/isis.e.rb1920232-1
title: Spin-wave study of a new pyrochlore Heisenberg antiferromagnet - Gd2Pt2O7

description: We propose a study of the spin-waves of a newly synthesised AF pyrochlore antiferromagnet, Gd2Pt2O7 on LET in zero field. Previous polarized neutron diffraction experiments on our isotopically enriched sample reveal a low temperature co-planar k=0 magnetic structure, akin to Gd2Sn2O7. However further near neighbour exchanges via the 5d Pt eg orbitals are likely, manifesting in an enhanced T_N. Monte-Carlo modelling of the paramagnetic S(Q) supports this picture, but direct measurements of the spin-waves are now required to quantify the level of further near neighbour exchange. We have a 0.25 g sample, which from previous experience (on Gd2Ti2O7 samples of similar mass on CNCS and DCS) is sufficient mass to see the spin waves. We ask for 2 days on LET to complete this study.
DOI: 10.5286/isis.e.rb1920421-2
title: Structural chemistry and magnetic order of the Aurivillius material Bi2CoO2F4

description: Materials with long range ferroelectric or magnetic order are important for applications including data storage, and a current key research area in functional materials is the design and preparation of materials that combine both these properties. A family of ceramic oxides, the Aurivillius family, are well known for their ferroelectric properties and until now, attempts to introduce magnetic ions into these materials have been limited. In 2018, a new Auriivillius oxide-fluoride, Bi2CoO2F4, was reported. This is exciting because it has long-range magnetic order, and the potential to display ferroelectric properties. Neutron powder diffraction will allow us to investigate its magnetic order, as well as its structural behaviour, helping us understand its properties.
DOI: 10.5286/isis.e.rb1910380
title: Reversible Redox in a Cerium (IV) Germanate Scheelite: a New Oxygen Storage Material

description: Materials that show oxide-ion mobility (solid electrolytes) and/or reversible uptake and release of oxygen (oxygen storage materials) have important uses in applications relating to energy and the environment, such as in solid-oxide fuel cells and catalysis, such as automotive exhausts, oxidation of organics and purification of hydrogen. Our preliminary experiments on some new materials reveal that loss and uptake of oxygen occurs very easily at moderate temperature and that the crystal structure of the materials change. Although we have crystal structure models for the materials, because they contain heavy metal atoms the location of oxygen atoms is presently poorly defined. Hence neutron diffraction is needed to resolve the structures fully and understand the origin of the oxygen storage property: we will study the materials in situ in gas flow to follow the oxygen loss in real time.
DOI: 10.5286/isis.e.rb1910380-1
title: Reversible Redox in a Cerium (IV) Germanate Scheelite: a New Oxygen Storage Material

description: Materials that show oxide-ion mobility (solid electrolytes) and/or reversible uptake and release of oxygen (oxygen storage materials) have important uses in applications relating to energy and the environment, such as in solid-oxide fuel cells and catalysis, such as automotive exhausts, oxidation of organics and purification of hydrogen. Our preliminary experiments on some new materials reveal that loss and uptake of oxygen occurs very easily at moderate temperature and that the crystal structure of the materials change. Although we have crystal structure models for the materials, because they contain heavy metal atoms the location of oxygen atoms is presently poorly defined. Hence neutron diffraction is needed to resolve the structures fully and understand the origin of the oxygen storage property: we will study the materials in situ in gas flow to follow the oxygen loss in real time.
DOI: 10.5286/isis.e.rb1910574-1
title: Investigating the superconducting and magnetic properties of a novel quasi-one-dimensional ternary molybdenum pnictide K2Mo3As3

description: A2Mo3As3 (A = alkali metal) is a brand-new novel family of molybdenum arsenide based quasi-one-dimensional (Q1D) superconductors with a transition temperature between 10.4 to 11.5 K, discovered just a couple of months ago. The crystal structure of these materials contains special Q1D (Mo3As3)2 linear chains separated by columns of alkali metal cations. Since Mo and Cr belong to the same group of transition metals with similar electronic configuration, A2Mo3As3 superconductors, like their sister families A2Cr3As3 and A1Cr3As3, expected to show exotic superconducting properties. We propose to study the magnetic properties of K2Mo3As3 using zero-field and longitudinal-field µSR measurements and superconducting properties, especially the superconducting pairing mechanism from gap symmetry using transverse-field µSR measurements. We ask for 4 days of MuSR beamtime for the proposed study.
DOI: 10.5286/isis.e.rb1970110
title: Continued investigations of the time reversal symmetry broken in the superconducting state of the caged compounds RE5Ir6Sn18 (RE = Y and Lu)

description: High quality single crystals RE5Ir6Sn18 (RE = Y, and Lu) have been successfully growth by flux method. These caged type compound reveal superconductivity below Tc = 2 K, and 2.9 K for RE = Y, and Lu respectively. It had been reported that R5Rh6Sn18 (R = Sc, Y, Lu), which exhibit superconductivity at 5 K (Sc), 3 K (Y) and 4 K (Lu), show intrigue time-reversal-symmetry broken in the superconductive state. It is interesting to compare the SR results of Y5Ir6Sn18, and Lu5Ir6Sn18, which possess different shells but same number of d electrons and different Tc, to investigate time-reversal-symmetry broken mechanisms in RE5Ir6Sn18 and their related dynamics.(Due to the instable beams and the issues of HELIOX, we could not complete the experiments in the last beamtime allocated)
DOI: 10.5286/isis.e.rb1970110-1
title: Continued investigations of the time reversal symmetry broken in the superconducting state of the caged compounds RE5Ir6Sn18 (RE = Y and Lu)

description: High quality single crystals RE5Ir6Sn18 (RE = Y, and Lu) have been successfully growth by flux method. These caged type compound reveal superconductivity below Tc = 2 K, and 2.9 K for RE = Y, and Lu respectively. It had been reported that R5Rh6Sn18 (R = Sc, Y, Lu), which exhibit superconductivity at 5 K (Sc), 3 K (Y) and 4 K (Lu), show intrigue time-reversal-symmetry broken in the superconductive state. It is interesting to compare the SR results of Y5Ir6Sn18, and Lu5Ir6Sn18, which possess different shells but same number of d electrons and different Tc, to investigate time-reversal-symmetry broken mechanisms in RE5Ir6Sn18 and their related dynamics.(Due to the instable beams and the issues of HELIOX, we could not complete the experiments in the last beamtime allocated)
DOI: 10.5286/isis.e.rb1970110-2
title: Continued investigations of the time reversal symmetry broken in the superconducting state of the caged compounds RE5Ir6Sn18 (RE = Y and Lu)

description: High quality single crystals RE5Ir6Sn18 (RE = Y, and Lu) have been successfully growth by flux method. These caged type compound reveal superconductivity below Tc = 2 K, and 2.9 K for RE = Y, and Lu respectively. It had been reported that R5Rh6Sn18 (R = Sc, Y, Lu), which exhibit superconductivity at 5 K (Sc), 3 K (Y) and 4 K (Lu), show intrigue time-reversal-symmetry broken in the superconductive state. It is interesting to compare the SR results of Y5Ir6Sn18, and Lu5Ir6Sn18, which possess different shells but same number of d electrons and different Tc, to investigate time-reversal-symmetry broken mechanisms in RE5Ir6Sn18 and their related dynamics.(Due to the instable beams and the issues of HELIOX, we could not complete the experiments in the last beamtime allocated)
DOI: 10.5286/isis.e.rb1820114-3
title: Complex structural modelling of amorphous [Au(SPh)]n and [M(1,2,4-triazole)2(H2PO4)2]n phase change coordination polymers for next generatio

description: Coordination polymers (CPs) with reversible phase changes between amorphous and crystalline states have recently become of interest for potential Phase-Change Memory applications. Efficient CPs have to exist in amorphous and crystalline phases with remarkably different optical, conductive or electrical properties which can be reversed by the application of an external stimuli to get the set/reset outputs (Fig. 1). Thus their physical properties are strongly affected by the presence or absence of long range order, defects or different connectivities. While the structures of the crystalline forms have been well characterized by traditional crystallographic approaches relying on the periodicity of the lattice, the atomic connectivity of CPs in the amorphous state is not yet understood. Thus, we propose to perform a total scattering experiment of the two promising CPs, [Au(SPh)]n and [M(1,2,
DOI: 10.5286/isis.e.rb1920088
title: Field-driven closure of the Haldane gap in an ideal coordination polymer spin-chain

description: Chains comprising integer spin magnetic moments exhibit the celebrated non-magnetic Haldane phase, which is very different relative to the half-integer spin equivalent. We have recently discovered and characterised a molecule-based magnet system which is an ideal example of a Haldane chain, NiI2(3,5-lut)4. Crucially, deviations from the idealised spin-one chain are exceedingly small in this compound. Zero-field Inelastic neutron scattering at ISIS was successfully used to study the magnetic excitations in this system at zero-field, including the presence of the famous Haldane gap, and these data form part of an upcoming publication. We now propose to extend this study to non-zero magnetic fields, in order to investigate the field-driven evolution of the excitation spectrum up to and beyond the field-induced quantum phase transition where the Haldane gap is closed.
DOI: 10.5286/isis.e.rb1920088-1
title: Field-driven closure of the Haldane gap in an ideal coordination polymer spin-chain

description: Chains comprising integer spin magnetic moments exhibit the celebrated non-magnetic Haldane phase, which is very different relative to the half-integer spin equivalent. We have recently discovered and characterised a molecule-based magnet system which is an ideal example of a Haldane chain, NiI2(3,5-lut)4. Crucially, deviations from the idealised spin-one chain are exceedingly small in this compound. Zero-field Inelastic neutron scattering at ISIS was successfully used to study the magnetic excitations in this system at zero-field, including the presence of the famous Haldane gap, and these data form part of an upcoming publication. We now propose to extend this study to non-zero magnetic fields, in order to investigate the field-driven evolution of the excitation spectrum up to and beyond the field-induced quantum phase transition where the Haldane gap is closed.
DOI: 10.5286/isis.e.rb1920491
title: Quasi-elastic Neutron Scattering Studies of Diffusion in Mordenite Catalysts for the Carbonylation of Dimethylether

description: This proposal will use QENS to investigate the diffusion of propane and methylacetate in mordenite zeolite catalysts used for the carbonylation of dimethylether to make methylacetate. The project is supported by a Royal Society International Collaboration Grant between Aberdeen University and Tianjin University China. The objective is to understand the causes of catalyst deactivation in this process. Propane is chosen as a non-reactive simulant of the dimethylether reactant; we will investigate how propane diffusion in mordenite is influenced by pretreatment of the catalyst with pyridine, which is believed to partially block zeolite pores and enhance catalyst lifetime. We will also study the diffusion of the product molecule methylacetate in both untreated and pyridine treated catalysts, to determine if inhibition of product diffusion out of the pores enhances catalyst deactivation.
DOI: 10.5286/isis.e.rb1970108
title: Nature of non-magnetic ground state of In2Ru2O7 probed by muon spin rotation

description: Complex ruthenium oxides offer a variety of exotic electronic states, such as spin-triplet superconductivity, metal-insulator transition and spin-orbital ordering. We discovered a new pyrochlore ruthenate In2Ru2O7, which was found to show a magnetic transition with a sudden drop of magnetic susceptibility to nearly zero at ~220 K. While the behaviour looks similar to other ruthenates displaying a spin-singlet formation, In2Ru2O7 shows successive phase transitions accompanying a structural change, likely associated with spin and orbital degrees of freedom of Ru 4d electrons. The preliminary muSR data exclude the presence of long-range antiferromagnetic order but the nature of ground state remains elusive. We propose to perform detailed muSR study on In2Ru2O7 on ARGUS in order to disclose the magnetic ground state and spin-dynamics.
DOI: 10.5286/isis.e.rb1970108-1
title: Nature of non-magnetic ground state of In2Ru2O7 probed by muon spin rotation

description: Complex ruthenium oxides offer a variety of exotic electronic states, such as spin-triplet superconductivity, metal-insulator transition and spin-orbital ordering. We discovered a new pyrochlore ruthenate In2Ru2O7, which was found to show a magnetic transition with a sudden drop of magnetic susceptibility to nearly zero at ~220 K. While the behaviour looks similar to other ruthenates displaying a spin-singlet formation, In2Ru2O7 shows successive phase transitions accompanying a structural change, likely associated with spin and orbital degrees of freedom of Ru 4d electrons. The preliminary muSR data exclude the presence of long-range antiferromagnetic order but the nature of ground state remains elusive. We propose to perform detailed muSR study on In2Ru2O7 on ARGUS in order to disclose the magnetic ground state and spin-dynamics.
DOI: 10.5286/isis.e.rb2000046
title: ChipIR commercial access: 2019 ARISTA #2

description: Arista Networks September 19-22nd 2019 commercial access to ChipIr beamline.
DOI: 10.5286/isis.e.rb2000046-1
title: ChipIR commercial access: 2019 ARISTA #2

description: Arista Networks September 19-22nd 2019 commercial access to ChipIr beamline.
DOI: 10.7910/dvn/bf2vnk/ofh70t
title: 190629_0011-type-of-cricket-metadata-2.xml

description: :unav
DOI: 10.7910/dvn/bf2vnk/ysuffo
title: 190630_0013-small-cup-metadata-1.xml

description: :unav
DOI: 10.5286/isis.e.rb1810310-2
title: Completing the phase diagram of a 2D molecular antiferromagnet

description: Low-dimensional quantum magnetism continues to be of great theoretical and experimental interest as reduced dimensionality supports strong quantum fluctuations which can result in novel excitations and critical behaviour. Here we propose to complete an investigation of the phase diagram of a series of molecular 2D quantum Heisenberg antiferromagnets with random exchange strengths. This is a project started at PSI by Dr Fan Xiao, where materials from the series (QuinH)2Cu(Br(1-x)Clx)4.2H2O with x &lt; 0.5 were successfully measured. Our recent measurement at ISIS has shown magnetic order in the x=1 member of the series, but the nature of the signal brings into question whether the system is ever quantum disordered. We now seek to measure two final compounds with high Cl concentrations in order to complete our investigation of the phase diagram of the system.
DOI: 10.5286/isis.e.rb1810310-3
title: Completing the phase diagram of a 2D molecular antiferromagnet

description: Low-dimensional quantum magnetism continues to be of great theoretical and experimental interest as reduced dimensionality supports strong quantum fluctuations which can result in novel excitations and critical behaviour. Here we propose to complete an investigation of the phase diagram of a series of molecular 2D quantum Heisenberg antiferromagnets with random exchange strengths. This is a project started at PSI by Dr Fan Xiao, where materials from the series (QuinH)2Cu(Br(1-x)Clx)4.2H2O with x &lt; 0.5 were successfully measured. Our recent measurement at ISIS has shown magnetic order in the x=1 member of the series, but the nature of the signal brings into question whether the system is ever quantum disordered. We now seek to measure two final compounds with high Cl concentrations in order to complete our investigation of the phase diagram of the system.
DOI: 10.5286/isis.e.rb1810310-4
title: Completing the phase diagram of a 2D molecular antiferromagnet

description: Low-dimensional quantum magnetism continues to be of great theoretical and experimental interest as reduced dimensionality supports strong quantum fluctuations which can result in novel excitations and critical behaviour. Here we propose to complete an investigation of the phase diagram of a series of molecular 2D quantum Heisenberg antiferromagnets with random exchange strengths. This is a project started at PSI by Dr Fan Xiao, where materials from the series (QuinH)2Cu(Br(1-x)Clx)4.2H2O with x &lt; 0.5 were successfully measured. Our recent measurement at ISIS has shown magnetic order in the x=1 member of the series, but the nature of the signal brings into question whether the system is ever quantum disordered. We now seek to measure two final compounds with high Cl concentrations in order to complete our investigation of the phase diagram of the system.
DOI: 10.5286/isis.e.rb1920060
title: Investigating Mesoporosity in Hierarchical Aluminophosphates

description: Optimising catalyst lifetime and performance is pivotal to enhancing the sustainability of industrial catalytic processes, allowing greater product yields, at lower temperatures, with less regular catalyst regeneration. As such Hierarchically Porous SAPOs (HP-SAPOs) have been developed, where mesopores are also incorporated into the material, aiding reactant and product diffusion, and extending catalyst lifetime. We have recently developed a range of HP-SAPO materials by including the mesopore template; DMOD in the AlPO synthesis, to tailor mesopore formation. Thus, we intend to investigate a sequence of HP-SAPO-5 materials, with increasing quantities of DMOD to examine the topology and connectivity of the mesopores, whilst simultaneously exploring the influence of the siliceous layer formed within Hierarchical SAPO-5 using SANS.
DOI: 10.5286/isis.e.rb1920060-1
title: Investigating Mesoporosity in Hierarchical Aluminophosphates

description: Optimising catalyst lifetime and performance is pivotal to enhancing the sustainability of industrial catalytic processes, allowing greater product yields, at lower temperatures, with less regular catalyst regeneration. As such Hierarchically Porous SAPOs (HP-SAPOs) have been developed, where mesopores are also incorporated into the material, aiding reactant and product diffusion, and extending catalyst lifetime. We have recently developed a range of HP-SAPO materials by including the mesopore template; DMOD in the AlPO synthesis, to tailor mesopore formation. Thus, we intend to investigate a sequence of HP-SAPO-5 materials, with increasing quantities of DMOD to examine the topology and connectivity of the mesopores, whilst simultaneously exploring the influence of the siliceous layer formed within Hierarchical SAPO-5 using SANS.
DOI: 10.5286/isis.e.rb1920357
title: Local magnetic distortion close to the Curie transition in the magnetocaloric compound Fe2P

description: Magnetic cooling is a reliable technique for refrigeration, however, understanding of fundamental science and materials is essential for utilizing the technique fully. Fe2P is an excellent model system for magnetic cooling materials. In this proposed experiment the diffuse scattering will be measured and the magnetic interactions on several lengthscales examined thoroughly. This will be performed by measuring the magnetic pair distribution functions at the instrument Polaris. Polaris is the most suitable instrument given the large Q-range coverage and high count rate. The results from the experiment will improve the understanding of the interactions responsible for magnetic cooling and therefore further the entire research field.