cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1920357-1
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.
DOI: 10.5286/isis.e.rb1920373
title: INS study to explore the spin gap and spin wave in the A-site ordered spinel LiFeCr4O8

description: LiFeCr4O8 (LFCO) crystallizes in a cubic spinel structure with a noncentrosymmetric space group (F4 ̅3m), where Li+ and Fe3+ ions are ordered in zinc-blend type manner at the A-site and Cr3+-ions at the B-site form a breathing pyrochlore lattice. The aim of the present proposal is to understand the nature of magnetic excitations in LFCO across the three magnetic transitions and investigate the spin gap in the spin-wave excitations. Present MAPS data collected at just two temperatures do not have enough resolution to study the spin gap. Therefore, we propose to carry out INS measurements at several other temperatures on MERLIN. The present study will allow us to understand the complete magnetic exchange interactions and changes in the spin gap as a function of temperature.
DOI: 10.5286/isis.e.rb1920491-1
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.rb1920262-2
title: Acceptor-doped BiFeO3: Oxide Ion Conduction and Possible Structural Disorder.

description: 2 days of beamtime is requested on Polaris to study the defect structure of an oxide-ion conductor Bi1-xBaxFeO3-x/2. RT total neutron scattering studies on samples heat treated in air, contain Fe3+/Fe4+ and are dominated by electronic conduction and contrast with samples annealed in N2 where oxidation is suppressed and oxide-ion conductivity is appreciable. The oxide-ion conductivity does not show a strong dependence across a wide range of x and is not in agreement with the enhanced conductivity maximum associated with the cross over from weak- to strong-electrolyte behaviour commonly reported for acceptor-doped oxide-ion conductors. Total neutron scattering data are required to investigate possible changes in local structure via clustering of oxygen vacancies and/or ordering of metal ions. This could lead to new strategies to develop new electrolytes for fuel cells.
DOI: 10.5286/isis.e.rb1920373-1
title: INS study to explore the spin gap and spin wave in the A-site ordered spinel LiFeCr4O8

description: LiFeCr4O8 (LFCO) crystallizes in a cubic spinel structure with a noncentrosymmetric space group (F4 ̅3m), where Li+ and Fe3+ ions are ordered in zinc-blend type manner at the A-site and Cr3+-ions at the B-site form a breathing pyrochlore lattice. The aim of the present proposal is to understand the nature of magnetic excitations in LFCO across the three magnetic transitions and investigate the spin gap in the spin-wave excitations. Present MAPS data collected at just two temperatures do not have enough resolution to study the spin gap. Therefore, we propose to carry out INS measurements at several other temperatures on MERLIN. The present study will allow us to understand the complete magnetic exchange interactions and changes in the spin gap as a function of temperature.
DOI: 10.5286/isis.e.rb1920755
title: : Investigation of collective magnetic excitations in Kondo insulator: CeFe2Al10

description: : Recently the Kondo insulators CeT2Al10 (T=Fe, Ru and Os) have attracted considerable attention. T=Ru and Os order AFM below 29 K, while T=Fe remains paramagnetic. At low temperature, CeFe2Al10 reveals an opening of a small energy gap in the electronic density of states near Fermi-energy. We have investigated the magnetic excitations in CeT2Al10 (T=Fe, Ru and Os) compounds using MERLIN (see Ref.10). We have also developed an ab-initio theoretical framework using three tier quasi-particle self consistent GW (QSGW)+ dynamical mean field theory (DMFT)+ solution of Bethe Salpeter equations (BSE) to compute vertex corrected spin fluctuation spectrum in CeFe2Al10. We have very good data in the ab-plane, however the data along [0 0 L] are not enough to make direct comparison with the theory. We therefore propose to investigate a detailed excitations along [0 0 L] in CeFe2Al10 on MERLIN.
DOI: 10.5286/isis.e.rb1920755-1
title: : Investigation of collective magnetic excitations in Kondo insulator: CeFe2Al10

description: : Recently the Kondo insulators CeT2Al10 (T=Fe, Ru and Os) have attracted considerable attention. T=Ru and Os order AFM below 29 K, while T=Fe remains paramagnetic. At low temperature, CeFe2Al10 reveals an opening of a small energy gap in the electronic density of states near Fermi-energy. We have investigated the magnetic excitations in CeT2Al10 (T=Fe, Ru and Os) compounds using MERLIN (see Ref.10). We have also developed an ab-initio theoretical framework using three tier quasi-particle self consistent GW (QSGW)+ dynamical mean field theory (DMFT)+ solution of Bethe Salpeter equations (BSE) to compute vertex corrected spin fluctuation spectrum in CeFe2Al10. We have very good data in the ab-plane, however the data along [0 0 L] are not enough to make direct comparison with the theory. We therefore propose to investigate a detailed excitations along [0 0 L] in CeFe2Al10 on MERLIN.
DOI: 10.5286/isis.e.rb2000029
title: Latchup characterization of 7-nm technology node using neutron beam at ChipIR

description: Semiconductor industry is currently offering 7 nm technology node with FinFET fabrication processes. Latchup causing mechanisms and rates for FinFET technologies are expected to be vastly different from those for planar technologies. This proposal is for the investigation of neutron-induced latchup for 7 nm circuit designs. We will be using test ICs containing sequential circuit designs . Since latchup may actually destroy the IC functionality, tests are needed to estimate neutron-induced failure rates to allow for development of predictive models. Results from these experiments will be supported with TCAD simulations and circuit simulations. Results will support a dissertation and will be disseminated through publications at conferences and journals
DOI: 10.5286/isis.e.rb2000029-1
title: Latchup characterization of 7-nm technology node using neutron beam at ChipIR

description: Semiconductor industry is currently offering 7 nm technology node with FinFET fabrication processes. Latchup causing mechanisms and rates for FinFET technologies are expected to be vastly different from those for planar technologies. This proposal is for the investigation of neutron-induced latchup for 7 nm circuit designs. We will be using test ICs containing sequential circuit designs . Since latchup may actually destroy the IC functionality, tests are needed to estimate neutron-induced failure rates to allow for development of predictive models. Results from these experiments will be supported with TCAD simulations and circuit simulations. Results will support a dissertation and will be disseminated through publications at conferences and journals
DOI: 10.5286/isis.e.rb2000029-2
title: Latchup characterization of 7-nm technology node using neutron beam at ChipIR

description: Semiconductor industry is currently offering 7 nm technology node with FinFET fabrication processes. Latchup causing mechanisms and rates for FinFET technologies are expected to be vastly different from those for planar technologies. This proposal is for the investigation of neutron-induced latchup for 7 nm circuit designs. We will be using test ICs containing sequential circuit designs . Since latchup may actually destroy the IC functionality, tests are needed to estimate neutron-induced failure rates to allow for development of predictive models. Results from these experiments will be supported with TCAD simulations and circuit simulations. Results will support a dissertation and will be disseminated through publications at conferences and journals
DOI: 10.15784/601229
title: Aerial survey of Explorers Cove shoreline, late January 2005

description: Photographs taken from helo operating at 500 ft of the shoreline bounding Explorers Cove in late January, illustrating typical sea ice conditions, extent of shoreline moat, ephemeral snow melt input, nearshore small ponds and tide pools, Commonwealth and Wales Glacier deltas, evaporite deposits, and landslides along the northern/northeastern slopes of Mount Barnes.
DOI: 10.5258/soton/d1153
title: Dataset for article "An Electrical Characterisation Methodology for Benchmarking Memristive Device Technologies"
DOI: 10.5286/isis.e.rb1910405-2
title: Molecular interactions of etiracetam and water in solution

description: Active pharmaceutical ingredient (APIs) are frequently delivered to the patient in the solid-state as part of an approved dosage form (e.g., tablets, capsules, etc.). Drug compounds tend to crystallise into different crystal forms, some of which incorporate solvent (water). We are investigating the factors leading to water incorporation. RS-Etiracetam exists in two polymorphs and a monohydrate, but its enantiomer S-Etiracetam does not form either polymorph or hydrate. Our preliminary data shows interaction between the NH2 and C=O moieties and water, which is potentially critical for the formation of the monohydrate but does not explain the different solid-state behaviour between the racemate and the enantiomer. We thus propose to measure neutron total scattering on SANDALS for RS-Etiracetam and S-Etiracetam to elucidate why the racemate forms a hydrate and the pure enantiomer does not.
DOI: 10.5286/isis.e.rb1910579-2
title: Investigation of hydrogen/nickel and hydrogen/cobalt interactions in new metal foam and granulated Raney-type catalysts

description: Raney-nickel type catalysts are some of the most versatile technical agents for efficient hydrogenation reactions. Raney-type catalysts based on Fe, Co, Ru and other metals have also been developed.Recently, new preparation techniques were developed which impact on catalyst performance:1) Metal-foam catalysts based on (e.g.) nickel 2) Granulate qualities based on (e.g.) cobalt We wish to compare the results of the hydrogen/metal interaction and site occupation from a typical Raney-nickel-type catalyst powder with the INS data to be obtained from the novel catalysts. Progressive dehydrogenation of the catalysts will allow the different sites occupied by hydrogen (twofold, threefold, fourfold) to be observed.
DOI: 10.5286/isis.e.rb1920728
title: μSR study of iron oxycarbonate Sr4Fe2(CO3)O6 multiferroic material

description: In this proposal, we wish to study the origin of the multiferroic nature in Sr4Fe2(CO3)O6. In the magnetization data, antiferromagnetic (AFM) ordering appears at TN = 340 K and spin rotation transition (SRT) at TSRT = 210 K. Temperature variation of the electric polarization highlights the possible multiferroism in the material. It is speculated that the canting in the spins locally breaks the inversion symmetry and originate the magnetoelectric effect. In a system, which possesses strong spin-lattice coupling, the lattice modulation is associated with the spin rotation transition and thus, induce polarization. To the best of our knowledge, there is no direct experimental evidence for these speculations. Muon spin rotation and relaxation (µSR) is a technique, which is sensitive to small local magnetic and structural changes and therefore can be exploited to get the required information.
DOI: 10.5286/isis.e.rb1920728-1
title: μSR study of iron oxycarbonate Sr4Fe2(CO3)O6 multiferroic material

description: In this proposal, we wish to study the origin of the multiferroic nature in Sr4Fe2(CO3)O6. In the magnetization data, antiferromagnetic (AFM) ordering appears at TN = 340 K and spin rotation transition (SRT) at TSRT = 210 K. Temperature variation of the electric polarization highlights the possible multiferroism in the material. It is speculated that the canting in the spins locally breaks the inversion symmetry and originate the magnetoelectric effect. In a system, which possesses strong spin-lattice coupling, the lattice modulation is associated with the spin rotation transition and thus, induce polarization. To the best of our knowledge, there is no direct experimental evidence for these speculations. Muon spin rotation and relaxation (µSR) is a technique, which is sensitive to small local magnetic and structural changes and therefore can be exploited to get the required information.
DOI: 10.5286/isis.e.rb1970122
title: Study on Magnetism of Defective Reduced Graphene Oxide (rGO)

description: Reduced graphene oxide (rGO) is a fascinating system having significant defects and functional group on its sheets, hence provides an ideal playground to raise magnetism of intrinsically nonmagnetic graphene. rGO have been reported to exhibit various magnetic states, in which their origin has been believed to be related with defect states in the rGO sheet. An enhancement in magnetization with a small magnetic hysteresis was observed in rGO when the amount of defect increases confirming defect induced magnetism in the samples. Our previous µSR data indicate a feature of the appearance of oscillation component on top of the decaying signal in the time spectra. However, with the current data we are still not able to confirm whether the feature is related to the formation of magnetic ordering or of a Mu-H entangled state. Therefore,we propose further µSR measurements on rGO for clarification
DOI: 10.5286/isis.e.rb2000048
title: Silicon Carbide Detector Characterisation for Chipir

description: The range of application of high band-gap solid state detectors is expanding in those environments where the high neutron flux is an issue, such as in the high-flux spallation neutron sources. Single-crystal Diamond (SD) detectors have been characterized in the past and they are currently installed at the ChipIr beam-line at ISIS as beam monitors. We are exploring the possibility of using SiC detectors as an alternative to SDs. In particular, after the test we have successfully performed at the ROTAX beamline, we would like to test the detector stability during neutron irradiation and then measure the CHIPIR neutron flux.
DOI: 10.5286/isis.e.rb2000048-1
title: Silicon Carbide Detector Characterisation for Chipir

description: The range of application of high band-gap solid state detectors is expanding in those environments where the high neutron flux is an issue, such as in the high-flux spallation neutron sources. Single-crystal Diamond (SD) detectors have been characterized in the past and they are currently installed at the ChipIr beam-line at ISIS as beam monitors. We are exploring the possibility of using SiC detectors as an alternative to SDs. In particular, after the test we have successfully performed at the ROTAX beamline, we would like to test the detector stability during neutron irradiation and then measure the CHIPIR neutron flux.
DOI: 10.5286/isis.e.rb1910172
title: Understanding the effect of compaction forming on the structure and performance of Cu-BTC metal-organic framework.

description: A vast amount of work has been conducted on understanding metal organic frameworks (MOFs) in their powder form. However, for use in industrial processes, powders will need to be processed into formed parts, such as pellets or granules. Using neutron diffraction this work aims to understand crystallographic changes that occur to the MOF Cu-BTC when it is subjected repeatedly to mild pressures - analogues to the process of granulation. This work, once linked to in-house testing data will give an unparalleled insight into the forming of this MOF for commercial applications.
DOI: 10.5286/isis.e.rb1910172-1
title: Understanding the effect of compaction forming on the structure and performance of Cu-BTC metal-organic framework.

description: A vast amount of work has been conducted on understanding metal organic frameworks (MOFs) in their powder form. However, for use in industrial processes, powders will need to be processed into formed parts, such as pellets or granules. Using neutron diffraction this work aims to understand crystallographic changes that occur to the MOF Cu-BTC when it is subjected repeatedly to mild pressures - analogues to the process of granulation. This work, once linked to in-house testing data will give an unparalleled insight into the forming of this MOF for commercial applications.
DOI: 10.5286/isis.e.rb1920315-1
title: The effect of strain on lattice alterations in quartz associated with ballistic impacts on sandstone

description: While destruction of heritage during armed conflict is not a new phenomenon, the targeted cultural vandalism and associated social media campaign instigated by IS/Daesh has thrust heritage destruction in the global spotlight. Even though use of explosives and contemporary weaponry has caused extensive damage to heritage sites, they are not beyond rescue. However, little is known about alteration of sedimentary stone and in particular the phase changes in quartz associatedwith these impacts. These phase changes can enhance brittleness of the quartz, and thus lowering flexural strength. These changes in flexural strength are likely to negatively affect the stone's ability to cope with environmental stress. By mapping these changes we can understand the effect of explosive strain on sedimentary stone, and enhance conservation and restoration strategies of heritage post-conflict.
DOI: 10.5286/isis.e.rb1968050
title: Effect of temperature and strain mode on the strain partitioning and deformation behaviour in a duplex stainless steel with TWIP effect

description: Duplex stainless steels (DSS) are widely used in oil, nuclear and petrochemical industries due to their excellent mechanical and corrosion resistance properties. They are used in a wide range of service temperatures (cryogenic to high temperatures). DSS are highly alloyed materials with comparable austenite (fcc) and ferrite (bcc) phase fractions. The deformation behaviour in each of the phases varies with temperature. With decreasing temperature, ferrite exhibits ductile to brittle transition while austenite exhibits an increased amount of deformation twinning. As a consequence, the two phases respond differently to external mechanical loads. In this proposal, we aim to study the effect of temperature and strain mode on the strain partitioning among the phases. These experiments combined with modelling efforts will lead to a better understanding of deformation in two-phase materials.
DOI: 10.5286/isis.e.rb1968050-1
title: Effect of temperature and strain mode on the strain partitioning and deformation behaviour in a duplex stainless steel with TWIP effect

description: Duplex stainless steels (DSS) are widely used in oil, nuclear and petrochemical industries due to their excellent mechanical and corrosion resistance properties. They are used in a wide range of service temperatures (cryogenic to high temperatures). DSS are highly alloyed materials with comparable austenite (fcc) and ferrite (bcc) phase fractions. The deformation behaviour in each of the phases varies with temperature. With decreasing temperature, ferrite exhibits ductile to brittle transition while austenite exhibits an increased amount of deformation twinning. As a consequence, the two phases respond differently to external mechanical loads. In this proposal, we aim to study the effect of temperature and strain mode on the strain partitioning among the phases. These experiments combined with modelling efforts will lead to a better understanding of deformation in two-phase materials.
DOI: 10.5286/isis.e.rb1970122-1
title: Study on Magnetism of Defective Reduced Graphene Oxide (rGO)

description: Reduced graphene oxide (rGO) is a fascinating system having significant defects and functional group on its sheets, hence provides an ideal playground to raise magnetism of intrinsically nonmagnetic graphene. rGO have been reported to exhibit various magnetic states, in which their origin has been believed to be related with defect states in the rGO sheet. An enhancement in magnetization with a small magnetic hysteresis was observed in rGO when the amount of defect increases confirming defect induced magnetism in the samples. Our previous µSR data indicate a feature of the appearance of oscillation component on top of the decaying signal in the time spectra. However, with the current data we are still not able to confirm whether the feature is related to the formation of magnetic ordering or of a Mu-H entangled state. Therefore,we propose further µSR measurements on rGO for clarification
DOI: 10.7910/dvn/bf2vnk/npss1h
title: 190628_0004-Jerry_daily_diary-metadata-1.xml

description: :unav
DOI: 10.7910/dvn/bf2vnk/usmwwf
title: 190628_0003-Jerry_daily_diary-metadata-1.xml

description: :unav
DOI: 10.5281/zenodo.3569758
title: Competition Between Strains of Borrelia afzelii in Immature Ixodes ricinus Ticks Is Not Affected by Season

description: The Excel file titled, "Raw data.xlsx" contains the raw data that was used in the statistical analyses of the article titled, "Competition Between Strains of Borrelia afzelii in Immature Ixodes ricinus Ticks Is Not Affected by Season" that was published in Frontiers in Cellular and Infection Microbiology.
DOI: 10.5281/zenodo.3569759
title: Competition Between Strains of Borrelia afzelii in Immature Ixodes ricinus Ticks Is Not Affected by Season

description: The Excel file titled, "Raw data.xlsx" contains the raw data that was used in the statistical analyses of the article titled, "Competition Between Strains of Borrelia afzelii in Immature Ixodes ricinus Ticks Is Not Affected by Season" that was published in Frontiers in Cellular and Infection Microbiology.
DOI: 10.5286/isis.e.rb1920132
title: Martensite evolution and strain maps of compressed Austempered Ductile Iron samples until different plastic strain

description: Austempered Ductile Iron (ADI) is a cast iron with high potential to substitute cast steel due to the lighter weight, higher tensile strength and significantly lower manufacturing cost. This material has a microstructure consist of acicular ferrite and high carbon enriched retained austenite which will to partially transform to martensite under plastic deformation. During the conventional compression tests, the samples present a barrelling effect which is produced by the friction between platens and samples. This generates a triaxial stress state different from the ideal uniaxial stress condition. We propose to determinate the evolution of martensite fraction and the strain field on ADI compressed samples under different plastic strain using Energy-selective neutron imaging.