cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1920340
title: Dynamic transition of Poly(ethylene glycol) with or without the solvation water

description: Water is the source of life, but the effects of hydration water on the dynamics and function of biological and bio-compatible macromolecules are still full of debates. Chen et al. found a dynamic transition of the solvation water at about 220 K, and claimed that such a liquid-liquid transition of water command the dynamic and function of the proteins. However, Hong and colleagues found out that dry perdeuterated protein also experience a dynamic transition at about 200 K by quasi-elastic neutron scattering. To clarify the problem, a direct observation of the dynamics of the hydration layer about macromolecule in the transition process is crucial. Here, we propose quasi-elastic neutron scattering of dry Poly(ethylene glycol) (PEG) and PEG solvated with a single layer of water bellow and up the liquid-liquid transition of confined water at about 200 K.
DOI: 10.5286/isis.e.rb1920340-1
title: Dynamic transition of Poly(ethylene glycol) with or without the solvation water

description: Water is the source of life, but the effects of hydration water on the dynamics and function of biological and bio-compatible macromolecules are still full of debates. Chen et al. found a dynamic transition of the solvation water at about 220 K, and claimed that such a liquid-liquid transition of water command the dynamic and function of the proteins. However, Hong and colleagues found out that dry perdeuterated protein also experience a dynamic transition at about 200 K by quasi-elastic neutron scattering. To clarify the problem, a direct observation of the dynamics of the hydration layer about macromolecule in the transition process is crucial. Here, we propose quasi-elastic neutron scattering of dry Poly(ethylene glycol) (PEG) and PEG solvated with a single layer of water bellow and up the liquid-liquid transition of confined water at about 200 K.
DOI: 10.5286/isis.e.rb1920635
title: Investigation of the residual strain evolution upon in situ annealing of the Ni based superalloy718 manufactured by powder bed fusion select

description: The present research proposal focuses on solving technological challenges associated with the implementation of components of Nickel superalloys produced by Additive Manufacturing (AM) in modern applications. While the methods of AM and their merits in specific applications are highly attractive, there are significant barriers such as residual stresses (RS) or tailoring the microstructure to meet the desired mechanical properties towards implementing AM in a broader application spectrum. The proposed in-situ annealing investigation will allow us how to understand and control RS and will have direct impact for the industry and for the development of predictive coupled thermo-mechanical finite element models.
DOI: 10.5286/isis.e.rb1920635-1
title: Investigation of the residual strain evolution upon in situ annealing of the Ni based superalloy718 manufactured by powder bed fusion select

description: The present research proposal focuses on solving technological challenges associated with the implementation of components of Nickel superalloys produced by Additive Manufacturing (AM) in modern applications. While the methods of AM and their merits in specific applications are highly attractive, there are significant barriers such as residual stresses (RS) or tailoring the microstructure to meet the desired mechanical properties towards implementing AM in a broader application spectrum. The proposed in-situ annealing investigation will allow us how to understand and control RS and will have direct impact for the industry and for the development of predictive coupled thermo-mechanical finite element models.
DOI: 10.5286/isis.e.rb1910448
title: Experimental validation of solid hydrogen phases in porous materials via neutron diffraction

description: Metallic hydrogen has long been theorised to be a close-to-room temperature superconductor, but is only predicted to form at GPa pressures. Instead of using extremely high pressures to form a metallic solid, molecular confinement of H2 via adsorption in optimally sized nanopores is a promising alternative. These experiments will utilize neutron diffraction to experimentally validate the results of our preliminary Raman studies, which indicate the presence of a hexagonal crystalline high pressure phase of hydrogen in a porous carbon. Neutron diffraction data on crystalline phases of the solid hydrogen present at a range of gas pressures could lead to definitive experimental evidence for the predicted high pressure phases of hydrogen, and may demonstrate pre-densification of hydrogen via nanoconfinement as a route to forming otherwise unobtainable high pressure hydrogen phases.
DOI: 10.5286/isis.e.rb1910448-1
title: Experimental validation of solid hydrogen phases in porous materials via neutron diffraction

description: Metallic hydrogen has long been theorised to be a close-to-room temperature superconductor, but is only predicted to form at GPa pressures. Instead of using extremely high pressures to form a metallic solid, molecular confinement of H2 via adsorption in optimally sized nanopores is a promising alternative. These experiments will utilize neutron diffraction to experimentally validate the results of our preliminary Raman studies, which indicate the presence of a hexagonal crystalline high pressure phase of hydrogen in a porous carbon. Neutron diffraction data on crystalline phases of the solid hydrogen present at a range of gas pressures could lead to definitive experimental evidence for the predicted high pressure phases of hydrogen, and may demonstrate pre-densification of hydrogen via nanoconfinement as a route to forming otherwise unobtainable high pressure hydrogen phases.
DOI: 10.5286/isis.e.rb1920008
title: Small angle neutron scattering for manufacturing method validation

description: Cu-Cr-Zr alloys are the material of choice for coolant structures in fusion reactors, where high thermal conductivity and structural strength at 250-300 C are required. These alloys, however, require a very specific heat treatment in order to exhibit their optimal properties, owed to the presence of nanoscale precipitates. Any manufacturing method for components including CuCrZr, therefore, needs to be validated, to ensure that the nanoscale properties are consistent across centimetres or millimetres of the component. We want to explore whether SANS is a suitable route to validate manufacturing routes for CuCrZr components.
DOI: 10.5286/isis.e.rb1920008-1
title: Small angle neutron scattering for manufacturing method validation

description: Cu-Cr-Zr alloys are the material of choice for coolant structures in fusion reactors, where high thermal conductivity and structural strength at 250-300 C are required. These alloys, however, require a very specific heat treatment in order to exhibit their optimal properties, owed to the presence of nanoscale precipitates. Any manufacturing method for components including CuCrZr, therefore, needs to be validated, to ensure that the nanoscale properties are consistent across centimetres or millimetres of the component. We want to explore whether SANS is a suitable route to validate manufacturing routes for CuCrZr components.
DOI: 10.5286/isis.e.rb1920062
title: Study of chronic mercury exposure in ancient populations from the cinnabar mining.

description: Cinnabar is a natural mercury sulfide (HgS) mineral mined from the ancient past for use as a red pigment for body paint and ceramics, in jewellery-making and in medicinal treatments. Mercury from cinnabar can be absorbed by ingestion and through the skin and can accumulate in bones. Mass-selective neutron spectroscopy on VESUVIO will be applied to study the level of mercury in human bones from the Spaccasasso cave on the Uccellina Mountains (Alberese  Grosseto, Tuscany, Italy). The site dates back from the late-4th to early-3rd millennium BC, and after mining exploitation it was used for funerary practices. Several archaeological questions regarding the buried individuals are still unanswered: were these populations engaged in mining or not? Detection of mercury and its stable isotopes may help to elucidate these archaeological queries.
DOI: 10.5286/isis.e.rb1920062-1
title: Study of chronic mercury exposure in ancient populations from the cinnabar mining.

description: Cinnabar is a natural mercury sulfide (HgS) mineral mined from the ancient past for use as a red pigment for body paint and ceramics, in jewellery-making and in medicinal treatments. Mercury from cinnabar can be absorbed by ingestion and through the skin and can accumulate in bones. Mass-selective neutron spectroscopy on VESUVIO will be applied to study the level of mercury in human bones from the Spaccasasso cave on the Uccellina Mountains (Alberese  Grosseto, Tuscany, Italy). The site dates back from the late-4th to early-3rd millennium BC, and after mining exploitation it was used for funerary practices. Several archaeological questions regarding the buried individuals are still unanswered: were these populations engaged in mining or not? Detection of mercury and its stable isotopes may help to elucidate these archaeological queries.
DOI: 10.5286/isis.e.rb1920062-2
title: Study of chronic mercury exposure in ancient populations from the cinnabar mining.

description: Cinnabar is a natural mercury sulfide (HgS) mineral mined from the ancient past for use as a red pigment for body paint and ceramics, in jewellery-making and in medicinal treatments. Mercury from cinnabar can be absorbed by ingestion and through the skin and can accumulate in bones. Mass-selective neutron spectroscopy on VESUVIO will be applied to study the level of mercury in human bones from the Spaccasasso cave on the Uccellina Mountains (Alberese  Grosseto, Tuscany, Italy). The site dates back from the late-4th to early-3rd millennium BC, and after mining exploitation it was used for funerary practices. Several archaeological questions regarding the buried individuals are still unanswered: were these populations engaged in mining or not? Detection of mercury and its stable isotopes may help to elucidate these archaeological queries.
DOI: 10.5286/isis.e.rb2000047
title: Forcing Sr2NiO2Cu2Se2 into the low spin regime under pressure

description: This is a proposal to drive the layered oxide chalcogenide Sr2NiO2Cu2Se2 from the high-spin state with long range magnetic order to the low-spin state, similar to that displayed by the sulfide analogue, by the application of pressure. We request time under the Rapid Access scheme in order to rapidly augment our current structural and physical data and computational investigations produce a high impact publication.
DOI: 10.5286/isis.e.rb2000047-1
title: Forcing Sr2NiO2Cu2Se2 into the low spin regime under pressure

description: This is a proposal to drive the layered oxide chalcogenide Sr2NiO2Cu2Se2 from the high-spin state with long range magnetic order to the low-spin state, similar to that displayed by the sulfide analogue, by the application of pressure. We request time under the Rapid Access scheme in order to rapidly augment our current structural and physical data and computational investigations produce a high impact publication.
DOI: 10.5286/isis.e.rb1920200
title: Surface activity of fluoroblock copolymers in model marine coatings

description: Marine coatings are commonly based on silicone polymers, which have a low surface energy and a degree of deformability which contribute to release of marine fouling species. Low toxicity alternatives to inhibit fouling are sought to replace traditional toxic additives. Fluoroblock polymers are promising materials for this purpose, but their adsorption and release mechanisms, especially under immersion is poorly understood. We propose to explore the surface and interfacial segregation of model surfactants and fluoroblock copolymers from PDMS matrices with specular NR. Experiments carried out before and after curing the matrix; will guide our understanding of the role of curing on initial adsorption. NR in air will reveal segregation that is expected for fluorocarbons, even in silicone, whereas adsorption against water will give insight into additive function in marine environs.
DOI: 10.5286/isis.e.rb1920200-1
title: Surface activity of fluoroblock copolymers in model marine coatings

description: Marine coatings are commonly based on silicone polymers, which have a low surface energy and a degree of deformability which contribute to release of marine fouling species. Low toxicity alternatives to inhibit fouling are sought to replace traditional toxic additives. Fluoroblock polymers are promising materials for this purpose, but their adsorption and release mechanisms, especially under immersion is poorly understood. We propose to explore the surface and interfacial segregation of model surfactants and fluoroblock copolymers from PDMS matrices with specular NR. Experiments carried out before and after curing the matrix; will guide our understanding of the role of curing on initial adsorption. NR in air will reveal segregation that is expected for fluorocarbons, even in silicone, whereas adsorption against water will give insight into additive function in marine environs.
DOI: 10.5286/isis.e.rb1920503
title: Understanding the Pressure Response in Amines: Weak hydrogen-bonding vs Non-bonded Interactions

description: Methylamines are an ideal chemical system to study in order to understand the effects of steric bulk and competing non-bonding interactions on hydrogen bonding at the networks these bonds form. Despite their attraction as relatively simple systems that would further our understanding of these fundamental chemical issues, there have been relatively few studies looking at methylamine in itself, both at ambient conditions or at higher pressures. The only studies available in the scientific literature used X-Ray Diffraction, which unfortunately can not locate hydrogen atoms (which are abundent in these systems), and hence we do not yet have a complete atomic picture of their structures or bonding. The current proposal aims to address this situation by studying 3 carefully chosen methylamines to gain complete structural and chemical information on methylamines and the impact of H-bonds.
DOI: 10.5286/isis.e.rb1920503-1
title: Understanding the Pressure Response in Amines: Weak hydrogen-bonding vs Non-bonded Interactions

description: Methylamines are an ideal chemical system to study in order to understand the effects of steric bulk and competing non-bonding interactions on hydrogen bonding at the networks these bonds form. Despite their attraction as relatively simple systems that would further our understanding of these fundamental chemical issues, there have been relatively few studies looking at methylamine in itself, both at ambient conditions or at higher pressures. The only studies available in the scientific literature used X-Ray Diffraction, which unfortunately can not locate hydrogen atoms (which are abundent in these systems), and hence we do not yet have a complete atomic picture of their structures or bonding. The current proposal aims to address this situation by studying 3 carefully chosen methylamines to gain complete structural and chemical information on methylamines and the impact of H-bonds.
DOI: 10.5286/isis.e.rb2000055
title: Structural analysis of Li-rich layered oxides synthesized at low temperatures

description: This rapid access proposal is aimed at investigating the local cationic and anionic environments of a model Li-rich layered oxide, Li1.2Mn0.6Ni0.2O2 (LNMO), through neutron and X-ray pair distribution function analysis. It is related to a previous unsuccessful proposal submitted to Polaris during the last round (RB1920141). Despite the low crystallinity due to the unusually low annealing temperatures of 500C, this material exhibits promising electrochemical behaviour rivalling its variants synthesized at much higher temperatures. Through this proposal, we intend to study the crystallography of this material and understand why it can cycle Li to high capacities.
DOI: 10.5286/isis.e.rb2000055-1
title: Structural analysis of Li-rich layered oxides synthesized at low temperatures

description: This rapid access proposal is aimed at investigating the local cationic and anionic environments of a model Li-rich layered oxide, Li1.2Mn0.6Ni0.2O2 (LNMO), through neutron and X-ray pair distribution function analysis. It is related to a previous unsuccessful proposal submitted to Polaris during the last round (RB1920141). Despite the low crystallinity due to the unusually low annealing temperatures of 500C, this material exhibits promising electrochemical behaviour rivalling its variants synthesized at much higher temperatures. Through this proposal, we intend to study the crystallography of this material and understand why it can cycle Li to high capacities.
DOI: 10.5286/isis.e.rb2000059
title: Terrestrial neutrons radiation tolerance for silicon carbide (SiC) power MOSFETs and diodes

description: Silicon Carbide (SiC) is a wide bandgap semiconductor of great interest for power devices used in various ground and avionic applications. SiC are also considered a promising technology for space and accelerators applications. However, SiC MOSFETs and diodes are sensitive to Single Event Burnout (SEB) failures when exposed to high energy neutrons, which crucially affect the reliability in the terrestrial environment. The SEB mechanism in SiC components is still an important topic of research. It was discussed that it is the same between SiC diodes and SiC MOSFETs and that it is different from the one in Si MOSFETs. Performing SEB testing of SiC components at the ChipIR beamline will provide important information on the atmospheric-like neutrons tolerance, allowing comparisons with the previous results from protons, heavy-ions and neutrons and important information on the SEB mechanism.
DOI: 10.5286/isis.e.rb2000059-1
title: Terrestrial neutrons radiation tolerance for silicon carbide (SiC) power MOSFETs and diodes

description: Silicon Carbide (SiC) is a wide bandgap semiconductor of great interest for power devices used in various ground and avionic applications. SiC are also considered a promising technology for space and accelerators applications. However, SiC MOSFETs and diodes are sensitive to Single Event Burnout (SEB) failures when exposed to high energy neutrons, which crucially affect the reliability in the terrestrial environment. The SEB mechanism in SiC components is still an important topic of research. It was discussed that it is the same between SiC diodes and SiC MOSFETs and that it is different from the one in Si MOSFETs. Performing SEB testing of SiC components at the ChipIR beamline will provide important information on the atmospheric-like neutrons tolerance, allowing comparisons with the previous results from protons, heavy-ions and neutrons and important information on the SEB mechanism.
DOI: 10.5286/isis.e.rb1820222-2
title: Study of cold creep stress relaxation on stainless steel welded structures

description: ATLAS+ is a four year, 7M Horizon 2020 project aimed at developing and validating advanced structural integrity assessment methodologies for non-RPV primary circuit pressure boundary components. Two thin-walled welded pipe mock-ups are being manufactured as part of ATLAS+. The proposed experiments on the welded mock-ups have three objectives. First, they serve as an important step in the validation of potentially challenging weld residual stress simulations for thin walled pipes. Second, the measurements are required to fill in gaps in the current population of pipe girth weld mock-ups required to train Artificial Neural Networks for prediction of residual stresses. Third, the measurements are aimed at studying, for the first time, the relaxation of residual stresses during cold creep in stainless steel welded structures simulating the in-service conditions of future nuclear reactors.
DOI: 10.5286/isis.e.rb1920314
title: Probing Water Structure in the Hydration layer around Poly(ethylene glycol)

description: Water is the source of life, but the effects of hydration water on the conformation change and function of biological and bio-compatible macromolecules are still full of debates. Chen et al. found a dynamic transition of the solvation water at about 220 K, and claimed that such a liquid-liquid transition of water command the dynamic and function of the proteins. However, Hong and colleagues found out that dry perdeuterated protein also experience a dynamic transition at about 200 K by quasi-elastic neutron scattering. To clarify the problem, a direct observation of the structure of hydration layer about macromolecule in the transition process is crucial. Here, we propose neutron total scattering observations of dry Poly(ethylene glycol) (PEG) and PEG solvated with a single layer of water bellow and up the liquid-liquid transition of confined water at about 200 K.
DOI: 10.5286/isis.e.rb1920314-1
title: Probing Water Structure in the Hydration layer around Poly(ethylene glycol)

description: Water is the source of life, but the effects of hydration water on the conformation change and function of biological and bio-compatible macromolecules are still full of debates. Chen et al. found a dynamic transition of the solvation water at about 220 K, and claimed that such a liquid-liquid transition of water command the dynamic and function of the proteins. However, Hong and colleagues found out that dry perdeuterated protein also experience a dynamic transition at about 200 K by quasi-elastic neutron scattering. To clarify the problem, a direct observation of the structure of hydration layer about macromolecule in the transition process is crucial. Here, we propose neutron total scattering observations of dry Poly(ethylene glycol) (PEG) and PEG solvated with a single layer of water bellow and up the liquid-liquid transition of confined water at about 200 K.
DOI: 10.5286/isis.e.rb1920370
title: Search for magnon-phonon coupling effect in metallic triangular antiferromagnet CrB2

description: Spin dynamics of non-collinear magnetic structures can exhibit the rare phenomena which go beyond the linear spin wave theory. Our previous studies on non-collinear antiferromagnetic insulators (Y, Lu)MnO3 at ISIS showed that magnon-magnon/phonon interactions indeed have a sizable effect on the spin dynamics. To extend this concept to metallic systems, we have recently carried out an inelastic neutron scattering experiment at MAPS on CrB2, a metallic triangular antiferromagnet with non-collinear magnetic structure. Along with successful measurements of magnons over a large momentum-energy space, we observed that some phonon modes near the magnon modes have unusual behavior, which is also seen in (Y, Lu)MnO3. To confirm that this anomaly comes from magnon-phonon coupling, we propose to investigate the phonon spectra of CrB2 at 150 K, the temperature above TN =88 K where magnons disappear.
DOI: 10.5286/isis.e.rb1920370-1
title: Search for magnon-phonon coupling effect in metallic triangular antiferromagnet CrB2

description: Spin dynamics of non-collinear magnetic structures can exhibit the rare phenomena which go beyond the linear spin wave theory. Our previous studies on non-collinear antiferromagnetic insulators (Y, Lu)MnO3 at ISIS showed that magnon-magnon/phonon interactions indeed have a sizable effect on the spin dynamics. To extend this concept to metallic systems, we have recently carried out an inelastic neutron scattering experiment at MAPS on CrB2, a metallic triangular antiferromagnet with non-collinear magnetic structure. Along with successful measurements of magnons over a large momentum-energy space, we observed that some phonon modes near the magnon modes have unusual behavior, which is also seen in (Y, Lu)MnO3. To confirm that this anomaly comes from magnon-phonon coupling, we propose to investigate the phonon spectra of CrB2 at 150 K, the temperature above TN =88 K where magnons disappear.