cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010042-1
title: Hydrophobic DES and water: intermolecular interactions for tailored solvents

description: In the recent years, the search for green solvents has intensified and Deep Eutectic Solvents (DESs)* have emerged as an alternative to conventional molecular solvents and ionic liquids. The effect of water on the physicochemical properties and on the structural features of DESs is attracting increasing attention, due to practical implications. The high viscosity of DESs may hinder their practical applications for different industrial processes, but the water content can considerably reduce it. The addition of even small amounts of water was found to decrease significantly the viscosity of DESs and this could make some applications, such as food processing, extraction processes, enzyme reactions, pharmaceuticals and cosmetics, much more efficient.This project aims at the understanding of the behaviour of DES with increasing water content.
DOI: 10.5286/isis.e.rb2010553
title: Identification of New Lithium Rich Phases in Li-Nb/Ta-O Series using Neutron Diffraction and Pair Distribution Function

description: Discovery of new Li ion conducting oxides with simpler stoichiometries is a key challenge in making solid-state energy storage more accessible. While focusing on Li rich materials we have been developing materials with varying Li-M ratios (M=Nb and Ta) for potential use in Li ion batteries. Due to the difficulty of synthesis and ensuing structural/Li inhomogeneity, structural databases currently lack accurate structural information for these phases. Initial characterisation of these 4 Li rich phases using laboratory X-ray diffraction suggests a lower symmetry and fairly disordered structures, and therefore we would like to collect the Neutron Diffraction - Pair Distribution Function data on GEM facility at ISIS. We also ask for complementary X ray data on these samples.
DOI: 10.5286/isis.e.rb2010553-1
title: Identification of New Lithium Rich Phases in Li-Nb/Ta-O Series using Neutron Diffraction and Pair Distribution Function

description: Discovery of new Li ion conducting oxides with simpler stoichiometries is a key challenge in making solid-state energy storage more accessible. While focusing on Li rich materials we have been developing materials with varying Li-M ratios (M=Nb and Ta) for potential use in Li ion batteries. Due to the difficulty of synthesis and ensuing structural/Li inhomogeneity, structural databases currently lack accurate structural information for these phases. Initial characterisation of these 4 Li rich phases using laboratory X-ray diffraction suggests a lower symmetry and fairly disordered structures, and therefore we would like to collect the Neutron Diffraction - Pair Distribution Function data on GEM facility at ISIS. We also ask for complementary X ray data on these samples.
DOI: 10.5286/isis.e.rb2010606
title: Development of SERS based sensors for thermal neutron detection at VESUVIO

description: Aim of this proposal is the test of SERS based sensors for the detection of thermal neutrons. Detection of thermal neutrons is of interest in many applicative and basic science fields. The 3He and 10BF3 gas-filled detectors are the most widely used for the detection of a low-energy neutron. Nevertheless, alternative detection methods are highly desirable. We will test the neutron detection capabilities of solid-state SERS based sensors based on nanostructured Au NPs functionalized with 10B containing molecules. After irradiation with thermal neutrons, the loss of B atoms will be detected by changes in the Raman spectra. High sensitivity of the method is ensured by the SERS activity of the substrates. We plan to use the VESUVIO instrument owing to its flexible settings of size and energy bands, and also because the beam is well characterized.
DOI: 10.5286/isis.e.rb2010606-1
title: Development of SERS based sensors for thermal neutron detection at VESUVIO

description: Aim of this proposal is the test of SERS based sensors for the detection of thermal neutrons. Detection of thermal neutrons is of interest in many applicative and basic science fields. The 3He and 10BF3 gas-filled detectors are the most widely used for the detection of a low-energy neutron. Nevertheless, alternative detection methods are highly desirable. We will test the neutron detection capabilities of solid-state SERS based sensors based on nanostructured Au NPs functionalized with 10B containing molecules. After irradiation with thermal neutrons, the loss of B atoms will be detected by changes in the Raman spectra. High sensitivity of the method is ensured by the SERS activity of the substrates. We plan to use the VESUVIO instrument owing to its flexible settings of size and energy bands, and also because the beam is well characterized.
DOI: 10.5286/isis.e.rb2010048
title: Investigating the relationship between pressure-induced tilting and A-site cations in Prussian blue analogues

description: We propose a high-pressure study of a number of Prussian blue analogues (PBAs) of formula AMn[Co(CN)6] (where A = Cs+, Rb+, K+) to investigate the influence of the A-site cation size on the high-pressure behaviour. Preliminary X-ray experiments show that CsMn[Co(CN)6] transforms to a tetragonal phase upon compression, whereas A-site deficient PBAs of similar composition behave fundamentally differently. We now wish to understand the compression behaviour in more detail by using neutron radiation to accurately locate the cyanide ions. Amongst other things, this will enable us to monitor changes in tilt angles upon compression. The interplay between cations and tilting distortion is a crucial consideration for the development of PBAs as cathodes in alkali ion batteries, and our study—although fundamental in nature—has implications for applications in electrochemical energy storage.
DOI: 10.5286/isis.e.rb2010048-1
title: Investigating the relationship between pressure-induced tilting and A-site cations in Prussian blue analogues

description: We propose a high-pressure study of a number of Prussian blue analogues (PBAs) of formula AMn[Co(CN)6] (where A = Cs+, Rb+, K+) to investigate the influence of the A-site cation size on the high-pressure behaviour. Preliminary X-ray experiments show that CsMn[Co(CN)6] transforms to a tetragonal phase upon compression, whereas A-site deficient PBAs of similar composition behave fundamentally differently. We now wish to understand the compression behaviour in more detail by using neutron radiation to accurately locate the cyanide ions. Amongst other things, this will enable us to monitor changes in tilt angles upon compression. The interplay between cations and tilting distortion is a crucial consideration for the development of PBAs as cathodes in alkali ion batteries, and our study—although fundamental in nature—has implications for applications in electrochemical energy storage.
DOI: 10.5286/isis.e.rb2010632
title: Pressure dependance of soft mode phonons in cubic NTE material Cd(CN)2

description: Cubic cadmium cyanide is one of the most important negative thermal expansion (NTE) materials, meaning that it shrinks rather than expands when heated. Understanding the vibrations in the vibrations present in Cd(CN)2 and how they change as the material is compressed is central to understanding this materials NTE. Counterintuitively, as our material is compressed it becomes easier to compress, which indicates that more study into the vibrations under pressure may reveal something about the underlying causes of NTE. This approach has been taken successfully for the better known NTE material, ZrW2O8, but not yet with Cd(CN)2, which exhibits a behaviour more than twice as extreme.
DOI: 10.5286/isis.e.rb2010632-1
title: Pressure dependance of soft mode phonons in cubic NTE material Cd(CN)2

description: Cubic cadmium cyanide is one of the most important negative thermal expansion (NTE) materials, meaning that it shrinks rather than expands when heated. Understanding the vibrations in the vibrations present in Cd(CN)2 and how they change as the material is compressed is central to understanding this materials NTE. Counterintuitively, as our material is compressed it becomes easier to compress, which indicates that more study into the vibrations under pressure may reveal something about the underlying causes of NTE. This approach has been taken successfully for the better known NTE material, ZrW2O8, but not yet with Cd(CN)2, which exhibits a behaviour more than twice as extreme.
DOI: 10.5286/isis.e.rb2010742
title: High-field investigation on 4f-5d exchange interaction in phyrochlore irridates

description: The newly suggested 4f-5d exchange interaction is investigated in plyrochore irridates, Nd2Ir2O7 and Sm2Ir2O7. The LF dependence of muon-spin relaxation rate up to 5 T is measured in order to clarify the peak of the spectrum densify of the spin fluctuation of Nd and Sm in the magnetically ordered state of Ir spins. We aim to prove the existence of the 4f-5d exchange interaction between Nd/Sm and Ir spins. We also try to clarify the emergence of the quantum spin fluctuation and the magnetically ordered state of Ir spins via investigating the spin fluctuation of Nd and Sm.
DOI: 10.5286/isis.e.rb2010742-1
title: High-field investigation on 4f-5d exchange interaction in phyrochlore irridates

description: The newly suggested 4f-5d exchange interaction is investigated in plyrochore irridates, Nd2Ir2O7 and Sm2Ir2O7. The LF dependence of muon-spin relaxation rate up to 5 T is measured in order to clarify the peak of the spectrum densify of the spin fluctuation of Nd and Sm in the magnetically ordered state of Ir spins. We aim to prove the existence of the 4f-5d exchange interaction between Nd/Sm and Ir spins. We also try to clarify the emergence of the quantum spin fluctuation and the magnetically ordered state of Ir spins via investigating the spin fluctuation of Nd and Sm.
DOI: 10.5286/isis.e.rb2000144
title: Neutron scattering study on noncollinear antiferromagnets D019 hcp-Mn3Sn thin film

description: Currently, we are reaching capacity limits in conventional Si-based memory devices, due to restrictions on further miniaturization. The concept of antiferromagnetic spin electronics (spintronics) has gained much traction to overcome this challenge. It has become clear that AFMs are actually vastly advantageous to realize memory devices, being far more robust than FM-based devices, with high packing density, and insensitivity to external fields. Unfortunately, to date, only a few materials have emerged as candidates. Thus, in our research, we have searched for the new non-collinear AFM Mn3Sn and have fabricated it in a thin film form. In order to access its fundamental magnetic property, we will use a magnetic neutron scattering technique to observe its noncollinear magnetic configuration.
DOI: 10.21227/wzfk-w184
title: Micro-blog dataset

description: There are two data files. Weibo.json is Micro-blog content, and relationship.json is Micro-blog forwarding relationship.
DOI: 10.21227/4y5p-by89
title: Micro-blog dataset

description: There are two data files. Weibo.json is Micro-blog content, and relationship.json is Micro-blog forwarding relationship.
DOI: 10.5286/isis.e.rb2000144-1
title: Neutron scattering study on noncollinear antiferromagnets D019 hcp-Mn3Sn thin film

description: Currently, we are reaching capacity limits in conventional Si-based memory devices, due to restrictions on further miniaturization. The concept of antiferromagnetic spin electronics (spintronics) has gained much traction to overcome this challenge. It has become clear that AFMs are actually vastly advantageous to realize memory devices, being far more robust than FM-based devices, with high packing density, and insensitivity to external fields. Unfortunately, to date, only a few materials have emerged as candidates. Thus, in our research, we have searched for the new non-collinear AFM Mn3Sn and have fabricated it in a thin film form. In order to access its fundamental magnetic property, we will use a magnetic neutron scattering technique to observe its noncollinear magnetic configuration.
DOI: 10.5286/isis.e.rb2000144-2
title: Neutron scattering study on noncollinear antiferromagnets D019 hcp-Mn3Sn thin film

description: Currently, we are reaching capacity limits in conventional Si-based memory devices, due to restrictions on further miniaturization. The concept of antiferromagnetic spin electronics (spintronics) has gained much traction to overcome this challenge. It has become clear that AFMs are actually vastly advantageous to realize memory devices, being far more robust than FM-based devices, with high packing density, and insensitivity to external fields. Unfortunately, to date, only a few materials have emerged as candidates. Thus, in our research, we have searched for the new non-collinear AFM Mn3Sn and have fabricated it in a thin film form. In order to access its fundamental magnetic property, we will use a magnetic neutron scattering technique to observe its noncollinear magnetic configuration.
DOI: 10.5286/isis.e.rb2010354
title: Unravelling the nature of the polyhydrated sulfate deposits on Mars

description: Hydrated sulfates are likely to be the dominant water reservoir in the equatorial region of Mars forming massive stratified deposits. Hence their detailed mineralogical characterisation is likely critical to understand the aqueous history as well as the present-day equatorial water cycle of our neighbouring planet. MgSO4·4H2O is the most promising candidate to form the bulk of the equatorial sulfate deposits whereas FeSO4·4H2O appears to be unstable under martian surface conditions. We have recently carried out Synchrotron XRD of both compounds between 85 – 300 K, revealing interesting intrinsic patterns of behaviour and differences between the Mg and Fe compounds. To explore this further, we propose to characterise FeSO4·4H2O and MgSO4·4H2O down to 10 K on HRPD and to determine the stability of the aforementioned compounds under simulated martian surface conditions on I11.
DOI: 10.5286/isis.e.rb2010354-1
title: Unravelling the nature of the polyhydrated sulfate deposits on Mars

description: Hydrated sulfates are likely to be the dominant water reservoir in the equatorial region of Mars forming massive stratified deposits. Hence their detailed mineralogical characterisation is likely critical to understand the aqueous history as well as the present-day equatorial water cycle of our neighbouring planet. MgSO4·4H2O is the most promising candidate to form the bulk of the equatorial sulfate deposits whereas FeSO4·4H2O appears to be unstable under martian surface conditions. We have recently carried out Synchrotron XRD of both compounds between 85 – 300 K, revealing interesting intrinsic patterns of behaviour and differences between the Mg and Fe compounds. To explore this further, we propose to characterise FeSO4·4H2O and MgSO4·4H2O down to 10 K on HRPD and to determine the stability of the aforementioned compounds under simulated martian surface conditions on I11.
DOI: 10.5286/isis.e.rb2000156
title: Conformation of Single Condensed RNA Molecules in Polyethylenimine Solutions Used for Vaccination

description: Messenger RNA (mRNA) constitutes a novel option for therapeutic intervention as, after application to a patient, virtually any therapeutic protein can be expressed. Currently, several RNA based products for vaccination against Covid-19 are in clinical development. For application to patients, delivery vehicles, usually consisting of cationic lipids or polymers, are required. Among the polymers, polyethylenimine (PEI), is an established system for RNA delivery. We have identified a novel form of RNA polyplex formulations based on PEI, which has demonstrated to be suitable for vaccination in combination with self-amplifying RNA (saRNA), that results in superior activity in. Here we want to further investigate the structure and molecular organization of these RNA complexes by SANS using D2O/H2O contrast variation, that can lead to further improvements in such PEI-saRNA formulations.
DOI: 10.5286/isis.e.rb2000156-1
title: Conformation of Single Condensed RNA Molecules in Polyethylenimine Solutions Used for Vaccination

description: Messenger RNA (mRNA) constitutes a novel option for therapeutic intervention as, after application to a patient, virtually any therapeutic protein can be expressed. Currently, several RNA based products for vaccination against Covid-19 are in clinical development. For application to patients, delivery vehicles, usually consisting of cationic lipids or polymers, are required. Among the polymers, polyethylenimine (PEI), is an established system for RNA delivery. We have identified a novel form of RNA polyplex formulations based on PEI, which has demonstrated to be suitable for vaccination in combination with self-amplifying RNA (saRNA), that results in superior activity in. Here we want to further investigate the structure and molecular organization of these RNA complexes by SANS using D2O/H2O contrast variation, that can lead to further improvements in such PEI-saRNA formulations.
DOI: 10.5286/isis.e.rb2000156-2
title: Conformation of Single Condensed RNA Molecules in Polyethylenimine Solutions Used for Vaccination

description: Messenger RNA (mRNA) constitutes a novel option for therapeutic intervention as, after application to a patient, virtually any therapeutic protein can be expressed. Currently, several RNA based products for vaccination against Covid-19 are in clinical development. For application to patients, delivery vehicles, usually consisting of cationic lipids or polymers, are required. Among the polymers, polyethylenimine (PEI), is an established system for RNA delivery. We have identified a novel form of RNA polyplex formulations based on PEI, which has demonstrated to be suitable for vaccination in combination with self-amplifying RNA (saRNA), that results in superior activity in. Here we want to further investigate the structure and molecular organization of these RNA complexes by SANS using D2O/H2O contrast variation, that can lead to further improvements in such PEI-saRNA formulations.
DOI: 10.5286/isis.e.rb2010666
title: Metamagnetic phase transition in the model coordination polymer {[Cu(DCOO)3]D2N(CD3)2}n

description: We propose a single crystal neutron diffraction experiment to determine the evolution of the magnetic structure of a model perovskite like coordination polymer {[Cu(DCOO)3]D2N(CD3)2}n. Magnetometry measurements have revealed a sharp metamagnetic transition induced by a remarkably low magnetic field (&lt;1 T) that depends on the direction of the applied field. This phenomenon is reminiscent of metamagnetic transitions observed in purely inorganic perovskite materials, but remains quite rare and relatively unexplored in coordination polymers.
DOI: 10.5286/isis.e.rb2010666-1
title: Metamagnetic phase transition in the model coordination polymer {[Cu(DCOO)3]D2N(CD3)2}n

description: We propose a single crystal neutron diffraction experiment to determine the evolution of the magnetic structure of a model perovskite like coordination polymer {[Cu(DCOO)3]D2N(CD3)2}n. Magnetometry measurements have revealed a sharp metamagnetic transition induced by a remarkably low magnetic field (&lt;1 T) that depends on the direction of the applied field. This phenomenon is reminiscent of metamagnetic transitions observed in purely inorganic perovskite materials, but remains quite rare and relatively unexplored in coordination polymers.
DOI: 10.5286/isis.e.rb2010592
title: High resolution powder neutron diffraction on the incommensurate magnetocaloric material MnZnSb

description: The domestic refrigerators that are currently in use are energy inefficient and require harmful gases to operate. A viable alternative cooling system is magnetic refrigeration, which require materials that exhibit the magnetocaloric effect. Recently, pronounced magnetocaloric properties have been observed in MnZnSb. This is reported to have a PbFCl-like structure with some ‘disorder’ that isn’t understood. We observe evidence of modulations and lowering of symmetry in diffraction patterns, but we require high resolution powder neutron diffraction to resolve it. The key objectives of the experiment are: 1) Determine the nuclear and magnetic structure of MnZnSb around the magnetic transition temperature (302K) to understand the magnetocaloric effect observed in this compound and 2) Determine the nuclear structure below a structural transition observed at 130K which hasn’t been reported.
DOI: 10.6084/m9.figshare.12965177
title: R0216_20180223a_videos

description: Rat 0216, skilled reaching data collected in Leventhal laboratory by Alexandra Bova
DOI: 10.6084/m9.figshare.12965177.v1
title: R0216_20180223a_videos

description: Rat 0216, skilled reaching data collected in Leventhal laboratory by Alexandra Bova
DOI: 10.5286/isis.e.rb2010592-1
title: High resolution powder neutron diffraction on the incommensurate magnetocaloric material MnZnSb

description: The domestic refrigerators that are currently in use are energy inefficient and require harmful gases to operate. A viable alternative cooling system is magnetic refrigeration, which require materials that exhibit the magnetocaloric effect. Recently, pronounced magnetocaloric properties have been observed in MnZnSb. This is reported to have a PbFCl-like structure with some ‘disorder’ that isn’t understood. We observe evidence of modulations and lowering of symmetry in diffraction patterns, but we require high resolution powder neutron diffraction to resolve it. The key objectives of the experiment are: 1) Determine the nuclear and magnetic structure of MnZnSb around the magnetic transition temperature (302K) to understand the magnetocaloric effect observed in this compound and 2) Determine the nuclear structure below a structural transition observed at 130K which hasn’t been reported.
DOI: 10.5286/isis.e.rb2000147
title: ChipIR Commercial Access Infineon OX13 - week13/2020

description: High-voltage power semiconductor devices, such as IGBTs, diodes and MOSFETs are susceptible to destructive failure due to terrestrial cosmic radiation (CR), notably the nucleon part. As a consequence, device development has to ensure adequate radiation hardness for every device technology. This aim can only partly be met by device and technology simulations and, therefore, also calls for extensive device tests. In order to reduce testing times accelerated irradiation tests at facilities with a nucleon energy spectrum close to the natural terrestrial CR are essential. The thus obtained failures rates will be compared to simulation predictions and storage tests.
DOI: 10.5286/isis.e.rb2000147-1
title: ChipIR Commercial Access Infineon OX13 - week13/2020

description: High-voltage power semiconductor devices, such as IGBTs, diodes and MOSFETs are susceptible to destructive failure due to terrestrial cosmic radiation (CR), notably the nucleon part. As a consequence, device development has to ensure adequate radiation hardness for every device technology. This aim can only partly be met by device and technology simulations and, therefore, also calls for extensive device tests. In order to reduce testing times accelerated irradiation tests at facilities with a nucleon energy spectrum close to the natural terrestrial CR are essential. The thus obtained failures rates will be compared to simulation predictions and storage tests.
DOI: 10.6084/m9.figshare.12965303
title: R0221_20180421a_videos

description: Rat 0221, skilled reaching data collected in Leventhal laboratory by Alexandra Bova