cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1520288
title: Non-stoichiometry in (Na1/2Bi1/2)TiO3: from a Pb-free piezoelectric to fast ion conduction.

description: 4 days are requested on HRPD to collect Neutron Diffraction (ND) on a carefully designed series of (Na1/2Bi1/2)TiO3-based perovskites (NBT) that exhibit a switch in electrical conduction mechanism from near band gap electronic (insulating) behaviour to high levels of oxide-ion conductivity that are comparable to the best fluorite-type solid electrolytes. This switch  can be induced by low levels of Bi-nonstoichiometry in undoped NBT and the oxide ion conductivity can be enhanced by acceptor doping on the Ti sites. The purpose of the beam time is to acquire ND data from 300 to 1050 K to establish accurate crystallographic information related to the changes in polymorphism and defect chemistry of this NBT series to elucidate their structure-property relationships. This will inform future compositional studies to optimise their piezoelectric (insulating) or conducting properties.
DOI: 10.5286/isis.e.rb1561026
title: The analysis of Indo-Persian sword blades in the Wallace Collection
DOI: 10.5286/isis.e.rb1562002
title: STUDY OF ARCHAEOMETALLURGIC SAMPLES: THE CASE OF WROUGHT IRON TIE-RODS FROM DUOMO DI MILANO
DOI: 10.5286/isis.e.rb1567498
title: Determination of critical exponents of a two-dimensional noncollinear antiferromagnet, k-(BEDT-TTF)2Cu[N(CN)2]Cl, by ZF- and TF-µSR
DOI: 10.5286/isis.e.rb1600016
title: New insight on bismuthate glass networks
DOI: 10.5286/isis.e.rb1600026
title: The Orientation and Conformation of Synthetic 3-10 Helical Peptides within Supported Lipid Bilayers
DOI: 10.5286/isis.e.rb1820416
title: Zero-field study of the helical phase in Skyrmion hosting Co-Mn-Zn alloys

description: Skyrmions are topologically protected vortex-like spin textures, and have been attracting increasing attention due to their potential technological applications for spintronics. In particular, metallic magnets with chiral and cubic/tetragonal crystal structure may have high potential to host skyrmions that can be driven by low electrical current excitation. Recently, the formation of skyrmions with unique spin helicity both at and above room temperature has been demonstrated in a family of cubic chiral magnets: beta-Mn-type Co-Zn-Mn alloys, which have a different chiral space group from that of the B20 compounds usually associated with Skyrmions.  In this study, we aim to investigate how varying the stoichiometry, and thus the strength of the exchange interaction, affects the helical phase from which the Skyrmion phase evolves, by performing a zero-field muon-spin relaxation experiment.
DOI: 10.5286/isis.e.rb1820486
title: The effect of porosity on sodium diffusion in hard carbons for Na ion batteries (NIB)

description: Here we propose to use muon spectroscopy to study the diffusion of sodium in hard carbon anode materials of various porosity for sodium ion batteries. Hard carbon is the most promising candidate for anode material in sodium ion batteries, but it needs to be improved in order to become a viable alternative to lithium ion batteries. The main benefit of the sodium ion batteries is the low cost and hence any improvement should add more expenses to the components of the battery, therefor we here plan to understand how simple changes( in this case porosity) can improve the diffusion of sodium to increase the capacity and charge rate of hard carbon anode materials.
DOI: 10.5286/isis.e.rb1900123
title: Neutron Sensitivity of ARM Computing Architectures for Automotive and High Performance Computing Applications

description: With the experiment at ChipIR we will measured and characterized the Single Event Effects (SEEs) produced by neutrons available at ISIS in different algorithms for automotive and HPC applications executed in three ARM architectures. We will test ARM A-9, A-53, and A-57. In this proposal we intend to compare the radiation-induced error rates of these devices. The goal of this proposal is to continue our evaluation of the resilience of modern parallel devices for automotive applications and to engage ARM with ChipIR. This first step is likely to stimulate ARM to invest in their architectures reliability. During our experiments we will run object-detection frameworks for automotive applications as well as benchmarks for HPC applications, comparing the impact of neutrons in the three selected devices.
DOI: 10.5286/isis.e.rb1910294
title: Neutron diffraction investigation of magnetic correlations in the S= 1/2 trimer chain compound Na2Cu3Ge4O12

description: Spin-trimer chain systems are of current interest due to unconventional properties arising from the strong quantum fluctuations and topology, such as the occurrence of the magnetization plateau.  The presence or absence of plateau are related to relative strength and sign of the intratrimer and intertrimer exchange interactions which also determine the magnetic ground state. We propose neutron diffraction study on new spin-1/2 AFM trimer chain compound Na2Cu3Ge4O12 using WISH to determine the magnetic ground state. Further we aim to evaluate the nature of magnetic correlations and its dimensionality by a comprehensive diffraction study at temperatures both below and above the TN =2 K.  The present experimental study will shed light on the novel magnetic correlations in trimer chain compounds with S = ½ in general and would be helpful for a validation of the theoretical proposals.
DOI: 10.5286/isis.e.rb1910298
title: Hydrophilic Melt Additive Segregation in Polyolefins

description: Small molecule additives are used in melt processing, sometimes to lubricate extrusion or to provide bespoke hydrophilic surfaces.  Both applications require the additive to migrate to the film surface during or shortly after extrusion, which is often challenging and rarely efficient.  We are studying this process for a model amphiphilic additive which migrates to LDPE surfaces rendering them more hydrophilic.  In this present experiment, we want to better understand the role of process temperature & crystallinity on surface segregation.  Neutron reflection is the only method to determine surface segregation of the additive in the melt state.  We will use this technique to determine melt segregation to compare to the segregation which we use on semicrystalline (below Tm) state.  Ultimately we will feed results into theory and computational models to provide a toolkit to predict migration
DOI: 10.5286/isis.e.rb1910354
title: Muon spin relaxation study of biskyrmions in MnNiGa

description: Skyrmions are chiral spin textures that exist in a variety of magnetic materials. These states are topologically non-trivial, which gives them stability expected to be useful for applications such as computer memory storage or spintronics computing. MnNiGa has recently been shown to exhibit biskyrmions, which are a novel variation on the skyrmion phase that are not well understood. We have previously shown that muon spin relaxation is a useful technique to probe the skyrmion state in other materials, and have recently performed an initial experiment at ISIS on MnNiGa. This experiment for the first time showed a signal that appears to reflect the dynamics of biskyrmions. We now propose to perform additional muon spin relaxation measurements to complete our study of the biskyrmion state in MnNiGa.
DOI: 10.5286/isis.e.rb1910467
title: Hidden Correlations in CeSn2O7

description: In the pyrochlore magnet Ce2Sn2O7, we have established that a correlated disordered ground state develops below about 0.6 K, and that the Ce3+ magnetic ions have both dipole and octupole degrees of freedom. Our magnetization and susceptibility data measured in this low-temperature correlated state can be interpreted using a mean-field model of correlated higher-order multipolar degrees of freedom. This idea agrees with the absence of magnetic scattering at low values of momentum transfer, in previous experiments using cold neutrons, which would have indicated correlations among the dipoles. We propose to look for signatures of hidden correlations from these multipoles using the time-of-flight spectrometer MERLIN.
DOI: 10.5286/isis.e.rb1910554
title: Hydrogen Bond Dynamics in Organic Ferroelectric Di-Chloromethylimidazole (DCMI) Using QENS

description: Organic ferroelectrics are in the focus of current research because their potential applications as a material to address global challenges. These lightweight, flexible and nontoxic materials have potential applications in energy storage, medical ultrasound imaging and in data storage in computers. The dynamics of protons are considered as the key mechanisms of the functionality of these materials. To build on our previous investigations on hydrogen bonded organic ferroelectrics, in this proposal I propose to investigate dynamics of di-chloromethylimidazole, a single component organic ferroelectric, using QENS. This material has shown anomalous dynamics at 100 K in an Xpress run on OSIRIS.  This anomalous dynamics will be probed to establish the correlation of proton dynamics and ferroelectricity to search for finger print motions of organic-ferroelectrics.
DOI: 10.5286/isis.e.rb1910638
title: Influence of the polarity of plasticizer and degree of hydrolysis of Poly-Vinyl Acetate polymer matrix on the Segregation in Films

description: Migration of small molecules to, and across the surface of polymer matrices is a little-studied problem with important industrial applications. PVAc films are of industrial significance as the material of choice for the manufacture of latex paints, glue, food coatings. It is important to understand how additives present in the films can segregate to interfaces as these factors can severely affect the desired properties of the films. We have used surface tension experiments to underpin understanding of the drying process, and have identified the phase separation occurring during the solution casting of plasticized films containing second migrants. We wish now to obtain a greater understanding of how the distribution of additives evolves during the solution casting of the films and how it is influenced by molecular weight, polarity and compatibility of the components.
DOI: 10.5517/ccdc.csd.cc1z4cwc
title: CCDC 1821463: Experimental Crystal Structure Determination

description: Related Article: Chien-Ming Lee, Muniyandi Sankaralingam, Chi-He Chuo, Tzu-Hsien Tseng, Peter P.-Y. Chen, Ming-Hsi Chiang, Xiao-Xi Li, Yong-Min Lee, Wonwoo Nam|2019|Dalton Trans.|48|5203|doi:10.1039/C9DT00649D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1z4cxd
title: CCDC 1821464: Experimental Crystal Structure Determination

description: Related Article: Chien-Ming Lee, Muniyandi Sankaralingam, Chi-He Chuo, Tzu-Hsien Tseng, Peter P.-Y. Chen, Ming-Hsi Chiang, Xiao-Xi Li, Yong-Min Lee, Wonwoo Nam|2019|Dalton Trans.|48|5203|doi:10.1039/C9DT00649D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1z4cyf
title: CCDC 1821465: Experimental Crystal Structure Determination

description: Related Article: Chien-Ming Lee, Muniyandi Sankaralingam, Chi-He Chuo, Tzu-Hsien Tseng, Peter P.-Y. Chen, Ming-Hsi Chiang, Xiao-Xi Li, Yong-Min Lee, Wonwoo Nam|2019|Dalton Trans.|48|5203|doi:10.1039/C9DT00649D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1z4czg
title: CCDC 1821466: Experimental Crystal Structure Determination

description: Related Article: Chien-Ming Lee, Muniyandi Sankaralingam, Chi-He Chuo, Tzu-Hsien Tseng, Peter P.-Y. Chen, Ming-Hsi Chiang, Xiao-Xi Li, Yong-Min Lee, Wonwoo Nam|2019|Dalton Trans.|48|5203|doi:10.1039/C9DT00649D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21c1t9
title: CCDC 1887460: Experimental Crystal Structure Determination

description: Related Article: Jiantang Li, Jiaming Gu, Lirong Zhang, Yunling Liu|2019|Dalton Trans.|48|5511|doi:10.1039/C9DT00233B
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21lmw5
title: CCDC 1894747: Experimental Crystal Structure Determination

description: Related Article: Chao Xu, Ming-Ming Sheng, Hua-Tian Shi, Maria Strømme, Qian-Feng Zhang|2019|Dalton Trans.|48|5505|doi:10.1039/C9DT00480G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21lmy7
title: CCDC 1894749: Experimental Crystal Structure Determination

description: Related Article: Chao Xu, Ming-Ming Sheng, Hua-Tian Shi, Maria Strømme, Qian-Feng Zhang|2019|Dalton Trans.|48|5505|doi:10.1039/C9DT00480G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21vh7n
title: CCDC 1902291: Experimental Crystal Structure Determination

description: Related Article: Chien-Ming Lee, Muniyandi Sankaralingam, Chi-He Chuo, Tzu-Hsien Tseng, Peter P.-Y. Chen, Ming-Hsi Chiang, Xiao-Xi Li, Yong-Min Lee, Wonwoo Nam|2019|Dalton Trans.|48|5203|doi:10.1039/C9DT00649D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.ccxc0qz
title: CCDC 844741: Experimental Crystal Structure Determination

description: Related Article: Chien-Ming Lee, Muniyandi Sankaralingam, Chi-He Chuo, Tzu-Hsien Tseng, Peter P.-Y. Chen, Ming-Hsi Chiang, Xiao-Xi Li, Yong-Min Lee, Wonwoo Nam|2019|Dalton Trans.|48|5203|doi:10.1039/C9DT00649D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/57mwkkycjz.1
title: Data for: Examining the pluvial to nival river regime spectrum using nonlinear methods: Minimum Delay Embedding Dimension
DOI: 10.5286/isis.e.rb1410270
title: In-situ lattice deformation measurement in a martensitic steel under cyclic loading at elevated temperatures

description: The objective of our research programme is to characterise and quantify the multiscale deformation in a high chrome martensitic power plant steels (P91/P92/MARBN). The work to be undertaken in this proposal aims to examine to what extent in-situ neutron diffraction (ND) observations can identify the inelastic response of materials at elevated temperature under cyclic loading. It is expected to implement a strong link between ND measurements and modelling simulations in order to quantify the evolution of lattice strain and dislocation density during cyclic plastic deformation.
DOI: 10.5286/isis.e.rb1520202
title: Adsorption of hydrophobin at the oil/water interface

description: Following our previous study of adsorption of globular lysozyme and BSA,  we continue to explore how another globular protein hydrophobin adsorbs at the oil/water interface by neutron reflection. Inter is preferred because we have built technical capability on this instrument. Our specific aims are to (a) determine the actual thickness and volume fraction of globular hydrophobin and (b) the effect of pH on the interfacial distribution. The results will enable us to compare the extent of proteins distributed into the oil region between these globular proteins at the interface. Hydrophobin has a distinct amphiphilic surface and flexibility in its globular structure, it is thus of interest to explore its distribution in the oil region. The results will enable us to answer if all the globular proteins unfold and produce characteristic segment distributions into the oil region.
DOI: 10.5286/isis.e.rb1520273
title: Solving the magnetic structure of ruthenium based 2H-perovskites

description: The variant of the Hexagonal perovskite oxides are characterised by chains of trigonal prisms and octahedra, leading to a number of fascinating properties. Using resonant x-ray scattering we have determined the propagation vector of two ruthenates Sr3ARuO6(A=Li,Na). We have also omitted one of the three possible symmetric sub-groups that can explain the system?s magnetic structure. We now need to determine the moment orientation to fully solve the magnetic structure. Using the Wish diffractometer we propose to use the sensitivity of neutrons to the orientation of magnetic moments to quickly identify the correct magnetic ground states of these systems.  The Li compound exhibits a previously unreported transition, not visible in specific heat measurements and barely visible in magnetisation measurements. Magnetic neutron scattering will allow us to distinguish the cause of this transition.
DOI: 10.5286/isis.e.rb1520332
title: Short Range Order in High Entropy Alloys

description: High entropy alloys are receiving significant attention worldwide as a new class of materials that offer unique and attractive properties.  However, controversy exists over their nature and the extent to which their structure and properties are derived from the entropy associated with their multi-element chemistries.  In this experiment, total scattering will be used to probe the local structure in an fcc high entropy alloy, CrMnFeNiCo, to determine how random the atomic neighbour correlations truly are.  If preferential neighbour correlations can be detected, this will challenge the very concept on which this class of materials is based.
DOI: 10.5286/isis.e.rb1520406
title: Study of Vibrational Dynamics in Alkali-Alkalide Systems.

description: We aim to investigate the vibrational dynamics of frozen solutions of alkalides (K+ Na-) comprising the fully methylated aza-crown hexamethyl hexacyclen (HMHC). This proposal has grown out of our recent TOSCA XPress measurements in which we successfully demonstrated the ability of INS to study alkalide/complexant-solvent interactions. It will provide complementary data to our liquid structure studies, and will shed light on the dynamics of stable alkalides in solution for the first time.
DOI: 10.5286/isis.e.rb1520417
title: Spin Waves in Detwinned SrFe2As2

description: We propose to measure spin waves in detwinned SrFe2As2, combined with our data on detwinned BaFe2As2 this allows us to understand if magnetic excitations in the two systems can be understood using the same model (Heisenberg or itinerant). In twinned samples broad high energy excitations from two domains overlap, by using detwinned samples under uniaxial pressure we can overcome this problem. In addition, we want to explore the connection between resistivity anisotropy and spin anisotropy by measure low energy excitation below and above TN, to test the proposal that resistivity anisotropy is directly linked to spin anisotropy.
DOI: 10.5286/isis.e.rb1567489
title: Bulk µSR study for the determination of anomalous surface spin texture in topological insulators
DOI: 10.5286/isis.e.rb1820093
title: Interface integrity and residual stresses in fusion divertor assemblies

description: Nuclear fusion reactors based on the tokamak design rely on the divertor to extract heat and impurities from the plasma. This divertor is typically designed using a combination of tungsten tiles, to handle the high heat load of the plasma facing, and a precipitation-hardened copper alloy tube, to transport the coolant. In the UKAEA design, the tube and a set of tiles are brazed together to form a test assembly, which will be exposed to cyclic high heat loading as part of an accelerated lifetime test. The integrity of the brazed interface and any residual (thermal) stresses are important performance indicators and these will be studied prior to and after thermal cycling.
DOI: 10.5286/isis.e.rb1820196
title: Low-dimensional glasses: Effect of occupational site disorder in the excess of low-frequency vibrational excitations

description: The present scientific case concerns a glass-forming system with even less degrees of freedom, namely the occupational disorder of high-temperature phase (I, P21/c) of para-Chloro-Nitro-benzene (p-CNB, C6H4ClNO2,) in which the occupational disorder (50:50 Cl:NO2 occupancy) involves rotation around a two-fold axis perpendicular to the plane of the molecules. We have already evidenced the dynamical glassy features of this phase as manifest byits thermal properties, namely specific heat and thermal conductivity, both displaying the excess within the Cp/T3 representation and the conductivity plateau, respectively. Our aim is to complement the measurements already carried out with data pertaining a fully ordered phase (II,P21) which we have been able to prepare and will therefore serve as an absolute reference.
DOI: 10.5286/isis.e.rb1820353
title: Carbon dioxide methanation over novel nickel based catalysts

description: A team of physical chemists (Glasgow) will combine with a team of chemical engineers (Beijing University of Chemical Technology) to develop an improved understanding of the CO2 hydrogenation reaction over specifically designed nickel heterogeneous catalysts.  The structural design of nano-composite Ni-based catalysts supported on SiC is novel; INS will determine how hydrogen is partitioned within the catalyst matrix as a function of certain reaction conditions that favour sustained methane yields.  This UK/China partnership is supported by a Royal Society International Exchange Scheme award.