cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010670
title: Ex-situ study probing the accessibility of hard carbon anodes to li-ions in lithium-ion batteries.

description: Lithium ion batteries have had a huge impact on modern day life, as recognized by this year's Nobel Prize awards. To continue making advancements that meet the ever growing demands of our energy storage needs, it is really important to understand how the electrode functions from the nano-scale to the meso-scale. To this end an in-operando electrochemical cell has been built to probe structural changes within battery electrodes through total neutron scattering whilst the battery undergoes charge and dishcarge. The aims of this proposal are two-fold: to find the optimal thickness for these in-operando studies for both neutron total scattering and electrochemistry, and to answer the question of at which thickness do electrodes start storing lithium ions poorly and why.
DOI: 10.5286/isis.e.rb2010670-1
title: Ex-situ study probing the accessibility of hard carbon anodes to li-ions in lithium-ion batteries.

description: Lithium ion batteries have had a huge impact on modern day life, as recognized by this year's Nobel Prize awards. To continue making advancements that meet the ever growing demands of our energy storage needs, it is really important to understand how the electrode functions from the nano-scale to the meso-scale. To this end an in-operando electrochemical cell has been built to probe structural changes within battery electrodes through total neutron scattering whilst the battery undergoes charge and dishcarge. The aims of this proposal are two-fold: to find the optimal thickness for these in-operando studies for both neutron total scattering and electrochemistry, and to answer the question of at which thickness do electrodes start storing lithium ions poorly and why.
DOI: 10.24396/ordar-43
title: Table S2 - Magma reservoir formation and evolution at a slow-spreading center (Atlantis Bank, Southwest Indian Ridge)

description: In-situ major element contents (in wt%) of plagioclases (Pl), clinopyroxenes (Cpx) and olivines (Ol) quantified by EPMA at LMV (Clermont-Ferrand, France) and at University of Minnesota (USA). At Clermont-Ferrand, we used a Cameca SX100 equipped with 4 wavelength dispersive X-ray spectrometers (WDS). Analyses were performed with a 15kV accelerating potential and a focused beam using a 15nA beam current. Counting times were of 10 or 20s on peak and also for background. At Minnesota, we used a JEOL JXA-8900 equipped with 4 WDS. Analyses were performed with a 15kV accelerating potential, a beam current of 20nA, and beam diameters of 10 microns for clinopyroxene, 5 microns for plagioclase and 1 micron for olivine. Counting times were of 10s on peak and off peak for all elements. For each mineral and EPMA used, the average 2 sigma error and the counting time (s) per element is indicated at the top of the dataset.
DOI: 10.5286/isis.e.rb1920222
title: Type 2 Compressible Liquids

description: In our previous experiments, NIMROD successfully analysed the structural and density changes of what we now consider to be the world's first highly compressible liquid. This compressible liquid stems from work on porous liquids and relies upon water intrusion into the pores. The compressibility was found to be five times greater than water, however as there is hypothetically more than one way to induce compressibility in liquids, we describe this as Type 1 compression. Type 2 compressible liquids can also potentially stem from porous liquids, if the pores in the liquid are flexible, then under pressure the pores will collapse and the overall volume of the liquid will reduce. If we are able to prove the existence of two different types of compressible liquids, it will increase the scope of the new material and open pathways for future possibilities in research and application.
DOI: 10.5286/isis.e.rb1920222-1
title: Type 2 Compressible Liquids

description: In our previous experiments, NIMROD successfully analysed the structural and density changes of what we now consider to be the world's first highly compressible liquid. This compressible liquid stems from work on porous liquids and relies upon water intrusion into the pores. The compressibility was found to be five times greater than water, however as there is hypothetically more than one way to induce compressibility in liquids, we describe this as Type 1 compression. Type 2 compressible liquids can also potentially stem from porous liquids, if the pores in the liquid are flexible, then under pressure the pores will collapse and the overall volume of the liquid will reduce. If we are able to prove the existence of two different types of compressible liquids, it will increase the scope of the new material and open pathways for future possibilities in research and application.
DOI: 10.5286/isis.e.rb1920222-2
title: Type 2 Compressible Liquids

description: In our previous experiments, NIMROD successfully analysed the structural and density changes of what we now consider to be the world's first highly compressible liquid. This compressible liquid stems from work on porous liquids and relies upon water intrusion into the pores. The compressibility was found to be five times greater than water, however as there is hypothetically more than one way to induce compressibility in liquids, we describe this as Type 1 compression. Type 2 compressible liquids can also potentially stem from porous liquids, if the pores in the liquid are flexible, then under pressure the pores will collapse and the overall volume of the liquid will reduce. If we are able to prove the existence of two different types of compressible liquids, it will increase the scope of the new material and open pathways for future possibilities in research and application.
DOI: 10.5286/isis.e.rb2010101
title: Dendritic Misorientation and Characterisation using Time of Flight 3D Energy Resolved Imaging and Diffraction

description: The purpose of this proposal is to investigate a novel Neutron inspection technique used to determine the angle and intensity of dendrite misorientation within a Rolls-Royce CMSX-4 Ni-base Superalloy, High Pressure Trent 700 turbine blade by Time of Flight 3D energy resolved imaging and diffraction. Misorientation is intolerable because grain boundaries drastically reduce creep performance and cannot be removed by heat treatment processes. It is therefore important to be able to characterise the level of misorientation, within such a safety critical component, accurately and rapidly.The new technique will offer insights into misorientation development in Single Crystal castings, improve the accuracy and reliability of defect prediction models and improve on current turbine blade NDT defect characterisation techniques.
DOI: 10.5286/isis.e.rb2010101-1
title: Dendritic Misorientation and Characterisation using Time of Flight 3D Energy Resolved Imaging and Diffraction

description: The purpose of this proposal is to investigate a novel Neutron inspection technique used to determine the angle and intensity of dendrite misorientation within a Rolls-Royce CMSX-4 Ni-base Superalloy, High Pressure Trent 700 turbine blade by Time of Flight 3D energy resolved imaging and diffraction. Misorientation is intolerable because grain boundaries drastically reduce creep performance and cannot be removed by heat treatment processes. It is therefore important to be able to characterise the level of misorientation, within such a safety critical component, accurately and rapidly.The new technique will offer insights into misorientation development in Single Crystal castings, improve the accuracy and reliability of defect prediction models and improve on current turbine blade NDT defect characterisation techniques.
DOI: 10.5286/isis.e.rb2010012
title: SHINING THE BEAM ON BONES: CHARACTERISATION OF BURNED SKELETAL REMAINS IN TOSCA

description: This is a continuation of TOSCA experiment RB1910012. Neutron spectroscopy is applied to study bones exposed to anaerobic burning. The results will complement previous data on skeletal remains burned in an aerobic setting, through INS, FTIR and Raman [1-9], and neutron diffraction [10], with a view to provide an improved understanding of the chemical and microcrystallinity variations undergone by bone upon burning events. Particular emphasis is given to the impact of the environmental conditions on these processes, and to the information provided by the hydroxyl vibrational bands. This is an innovative way of tackling transformations in bone, aiming at the development of a quantitative method for profiling skeletal human remains subject to extreme diagenetic processes which is expected to have a high impact in forensic and bioanthropological sciences.
DOI: 10.5286/isis.e.rb2010012-1
title: SHINING THE BEAM ON BONES: CHARACTERISATION OF BURNED SKELETAL REMAINS IN TOSCA

description: This is a continuation of TOSCA experiment RB1910012. Neutron spectroscopy is applied to study bones exposed to anaerobic burning. The results will complement previous data on skeletal remains burned in an aerobic setting, through INS, FTIR and Raman [1-9], and neutron diffraction [10], with a view to provide an improved understanding of the chemical and microcrystallinity variations undergone by bone upon burning events. Particular emphasis is given to the impact of the environmental conditions on these processes, and to the information provided by the hydroxyl vibrational bands. This is an innovative way of tackling transformations in bone, aiming at the development of a quantitative method for profiling skeletal human remains subject to extreme diagenetic processes which is expected to have a high impact in forensic and bioanthropological sciences.
DOI: 10.5286/isis.e.rb2010292
title: Probing confinement behaviour of CO2 in Dendritic Fibrous Nano Carbon (DFNC)

description: Confined fluids in nanometer-sized pores exhibit remarkably different properties compared to bulk fluids at similar thermodynamic conditions. The morphology of pores such as size, surface area, and volume plays a crucial role to decide the fluid uptake capacity for H2 storage and CO2 capture. Recently, in-situ neutron diffraction measurements covering a wide-q range at different loading of CO2 in microporous activated carbon was carried out at NIMROD and unusual crowding of the CO2 molecules in the pores, formed by crumpled sheets, is observed. A new generation microporous carbon (DFNC) is developed using Dendritic Fibrous Nanosilica (DFNS) as a hard template and it shows unusual higher CO2 uptake compared to activated carbon studied before. The present proposal aims to probe the generation DFNC microporous carbon using in-situ diffraction covering both small-angle and wide angles.
DOI: 10.5286/isis.e.rb2010292-1
title: Probing confinement behaviour of CO2 in Dendritic Fibrous Nano Carbon (DFNC)

description: Confined fluids in nanometer-sized pores exhibit remarkably different properties compared to bulk fluids at similar thermodynamic conditions. The morphology of pores such as size, surface area, and volume plays a crucial role to decide the fluid uptake capacity for H2 storage and CO2 capture. Recently, in-situ neutron diffraction measurements covering a wide-q range at different loading of CO2 in microporous activated carbon was carried out at NIMROD and unusual crowding of the CO2 molecules in the pores, formed by crumpled sheets, is observed. A new generation microporous carbon (DFNC) is developed using Dendritic Fibrous Nanosilica (DFNS) as a hard template and it shows unusual higher CO2 uptake compared to activated carbon studied before. The present proposal aims to probe the generation DFNC microporous carbon using in-situ diffraction covering both small-angle and wide angles.
DOI: 10.5286/isis.e.rb2010214
title: The spin excitations in alpha-Cu3Mg(OH)6Br2

description: The two-dimensional (2D) spin-1/2 kagome model has been a subject of intense theoretical study due to its rich ground states. While many of these materials show antiferromagnetic correlations, ferromangetism is rare to find. Recently, we have successfully synthesized a new kagome material alpha-Cu3Mg(OH)6Br2, the spin arrangement along c-axis is antiferromagnetic, that within the kagome plane is ferromagnetic. The specific-heat measurement reveals an upturn behavior of the specific heat is found below 0.2 K, which can be fitted as C~T^-3/2. It is not from the nuclear Schottky anomaly or magnetic impurities since it does not move to higher temperature under magnetic fields. Instead, it is suppressed at 3 Tesla, It indicates that some exotic spin excitations present. So we propose to study the spin excitations in alpha-Cu3Mg(OH)6Br2 down to 30 mK and magnetic field up to 3 Tesla.
DOI: 10.5286/isis.e.rb2010214-1
title: The spin excitations in alpha-Cu3Mg(OH)6Br2

description: The two-dimensional (2D) spin-1/2 kagome model has been a subject of intense theoretical study due to its rich ground states. While many of these materials show antiferromagnetic correlations, ferromangetism is rare to find. Recently, we have successfully synthesized a new kagome material alpha-Cu3Mg(OH)6Br2, the spin arrangement along c-axis is antiferromagnetic, that within the kagome plane is ferromagnetic. The specific-heat measurement reveals an upturn behavior of the specific heat is found below 0.2 K, which can be fitted as C~T^-3/2. It is not from the nuclear Schottky anomaly or magnetic impurities since it does not move to higher temperature under magnetic fields. Instead, it is suppressed at 3 Tesla, It indicates that some exotic spin excitations present. So we propose to study the spin excitations in alpha-Cu3Mg(OH)6Br2 down to 30 mK and magnetic field up to 3 Tesla.
DOI: 10.5286/isis.e.rb1920758
title: Effect of hexagonal martensite on the TRIP-assisted deformation of HEAs

description: A system of high-entropy alloys has been developed that exhibit the transformation induced plasticity (TRIP) effect, improving strength and ductility. The alloys show the formation of hexagonal epsilon-martensite, which while detrimental in steels appears to be a valuable toughening mechanism in these alloys. However, the SEM level characterization used so far was not adequate to quantify the transformation as a function of strain, and the role of various starting microstructural features is not understood. Neutron diffraction on Engin-X is sought to elucidate the behaviour.
DOI: 10.24396/ordar-44
title: Table S3 - Magma reservoir formation and evolution at a slow-spreading center (Atlantis Bank, Southwest Indian Ridge)

description: In situ trace elements concentrations in ppm of 24 samples analyzed with a ThermoFinnigan Element2 XR (eXtended Range - ICP-MS) coupled with a laser ablation (LA) system Téledyne G2 at Géosciences Montpellier (AETE-ISO regional facility of the OSU OREME, Montpellier University, France). Signal acquisition was made in Time Resolved Acquisition, counting 120 s for the background, and 60 s for the sample measurement. The frequency of the laser was of 10 Hz, with an energy density 174 of ~6.2 J.cm². Ablation experiments were conducted under helium which was mixed with argon before entering the plasma. Clinopyroxenes (Cpx) were analyzed with a laser spot size of 77 μm, while a spot size of 102 μm was used for olivines (Ol) and plagioclases (Pl). Data were processed using the GLITTER software (Van Achterberg et al., 2001). All measured concentrations were calibrated using the synthetic glass NIST 612 with the values of Pearce et al. (1997). The internal standards used for the minerals are 43Ca for Cpx, and 29180 Si for Pl and Ol, with the values previously analyzed in the same minerals by EPMA. An average of the values analyzed by LA-ICP-MS for the standard reference basalt BIR-1G is available at the end of the table.
DOI: 10.5286/isis.e.rb1920758-1
title: Effect of hexagonal martensite on the TRIP-assisted deformation of HEAs

description: A system of high-entropy alloys has been developed that exhibit the transformation induced plasticity (TRIP) effect, improving strength and ductility. The alloys show the formation of hexagonal epsilon-martensite, which while detrimental in steels appears to be a valuable toughening mechanism in these alloys. However, the SEM level characterization used so far was not adequate to quantify the transformation as a function of strain, and the role of various starting microstructural features is not understood. Neutron diffraction on Engin-X is sought to elucidate the behaviour.
DOI: 10.5286/isis.e.rb2000123
title: May 2020 Testing

description: May 2020 Testing as discussed with Dr. Cazzaniga
DOI: 10.5286/isis.e.rb2000123-1
title: May 2020 Testing

description: May 2020 Testing as discussed with Dr. Cazzaniga
DOI: 10.5286/isis.e.rb2010408
title: Systematic investigation of the proton vibrational dynamics in AB0.5M0.5O3H0.5 (A = Ba,Sr; B = Zr,Sn; M = In,Ga,Al) proton-conducting oxides

description: Proton-conducting perovskites are promising materials for various energy-related applications. We have recently shown that indium-doped BaZrO3 (In/BZO) contains extra contributions in its vibrational spectra, in comparison to Sc/BZO or Y/BZO, which have been interpreted as the signature of a second population of proton sites with inter-octahedra geometry. To confirm and unveil the parameters at the origin of the presence of these additional proton sites, we aim to characterize in a systematic manner the lattice and vibrational dynamics, hence the proton local environments, of a series of compositions: AB0.5M0.5O3H0.5, with A=[Ba,Sr], B=[Zr,Sn], and M=[In,Ga,Al]. The results will allow us to understand which factors among the valence orbitals, chemical hardness, or cell parameters are at the origin of the presence of the inter-octahedra proton sites in cubic perovskites.
DOI: 10.5286/isis.e.rb2010408-1
title: Systematic investigation of the proton vibrational dynamics in AB0.5M0.5O3H0.5 (A = Ba,Sr; B = Zr,Sn; M = In,Ga,Al) proton-conducting oxides

description: Proton-conducting perovskites are promising materials for various energy-related applications. We have recently shown that indium-doped BaZrO3 (In/BZO) contains extra contributions in its vibrational spectra, in comparison to Sc/BZO or Y/BZO, which have been interpreted as the signature of a second population of proton sites with inter-octahedra geometry. To confirm and unveil the parameters at the origin of the presence of these additional proton sites, we aim to characterize in a systematic manner the lattice and vibrational dynamics, hence the proton local environments, of a series of compositions: AB0.5M0.5O3H0.5, with A=[Ba,Sr], B=[Zr,Sn], and M=[In,Ga,Al]. The results will allow us to understand which factors among the valence orbitals, chemical hardness, or cell parameters are at the origin of the presence of the inter-octahedra proton sites in cubic perovskites.
DOI: 10.5286/isis.e.rb2010247
title: Phonon-related properties of the rear-earth filled skutterides.

description: In our recent work, we presented a comprehensive study of the electronic structure and Fermi surface of a series of rare-earth filled skutterudites. This has shed more light on superconductivity and thermoelectric properties of these systems. With ab initio optimised unit-cell geometries and electronic structure at hand, the phonon-related properties are only one-step away, rendering studies of nuclear quantum dynamics a low-hanging fruit. Capitalising on this pre-existing body of computational work, hereby we propose to employ it even further and provide a critical appraisal and benchmarking of the phonon-related properties of the rear-earth filled skutterides, RPt4Ge12 with R = La, Ce, and Pr. The primary aim of this proposal is to exploit the correlation between atom-projected vibrational densities of states and thermoelectric figure of merit of rare-earth skutterides.
DOI: 10.5286/isis.e.rb2010247-1
title: Phonon-related properties of the rear-earth filled skutterides.

description: In our recent work, we presented a comprehensive study of the electronic structure and Fermi surface of a series of rare-earth filled skutterudites. This has shed more light on superconductivity and thermoelectric properties of these systems. With ab initio optimised unit-cell geometries and electronic structure at hand, the phonon-related properties are only one-step away, rendering studies of nuclear quantum dynamics a low-hanging fruit. Capitalising on this pre-existing body of computational work, hereby we propose to employ it even further and provide a critical appraisal and benchmarking of the phonon-related properties of the rear-earth filled skutterides, RPt4Ge12 with R = La, Ce, and Pr. The primary aim of this proposal is to exploit the correlation between atom-projected vibrational densities of states and thermoelectric figure of merit of rare-earth skutterides.
DOI: 10.5286/isis.e.rb1970124-2
title: Development of new non-destructive analysis method by muonic X-ray imaging for extraterrestrial samples

description: In 2020s, the asteroid explorer Hayabusa-2 will return to the earth and will bring extraterrestrial samples containing organics and water-related materials. We are aiming at applying a non-destructive muonic X-ray imaging method to the return-sample analysis in ~ 0.1 wt% accuracy. For this purpose, we are developing a new detector system composed of a new Ge detector array with Compton suppressor and a multi-wire drift chamber with a low-material component. Here, we propose a performance test of newly developed detectors with the muon beam and demonstrate the advanced muonic X-ray imaging for well-known sample in a practical condition before the explorer returns.
DOI: 10.6084/m9.figshare.12925127.v1
title: Figure3_HESS_1

description: <b>Temporal variations in </b><b>salinity </b><b>in February</b><b> 2014 at hydrologic stations</b><b>. a: Baozhen </b><b>station; b: </b><b>Nanmen </b><b>station;</b><b> </b><b>c: </b><b>Chongxi </b><b>station; c: </b><b>Qingcaosha </b><b>station. B</b><b>lack line</b><b>: measured salinity; </b><b>blue line</b><b>: simulated salinity under climatic wind and residual water level conditions at open sea boundaries (Exp 1); red line: simulated salinity under a realistic wind and residual water levels at the open sea boundaries (Exp 2). The dashed green line </b><b>represents salinity of 0.45, which is the standard for drinking water</b><b>.</b>
DOI: 10.6084/m9.figshare.12925127
title: Figure3_HESS_1

description: <b>Temporal variations in </b><b>salinity </b><b>in February</b><b> 2014 at hydrologic stations</b><b>. a: Baozhen </b><b>station; b: </b><b>Nanmen </b><b>station;</b><b> </b><b>c: </b><b>Chongxi </b><b>station; c: </b><b>Qingcaosha </b><b>station. B</b><b>lack line</b><b>: measured salinity; </b><b>blue line</b><b>: simulated salinity under climatic wind and residual water level conditions at open sea boundaries (Exp 1); red line: simulated salinity under a realistic wind and residual water levels at the open sea boundaries (Exp 2). The dashed green line </b><b>represents salinity of 0.45, which is the standard for drinking water</b><b>.</b>
DOI: 10.6084/m9.figshare.12925133.v1
title: Figure4_HESS_1

description: Temporal variations in the measured river discharge at Datong station (a), wind vector (b) and wind speed (c) at WS, and water level rise obtained by subtracting the data in the tide table from the measured water level at Sheshan station (black line) and Luchaogang station (red line) (d) in February 2014.