cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010580-1
title: Probing lithium diffusion in mechanochemically-synthesised LiGaX4 (X = Cl, Br and I) and Li3MX6 (M = Y, Ho; X = Cl, Br) using muSR

description: In the current work, we study inorganic solid-state electrolytes for Li-ion batteries. These materials, unlike liquids, could lead to a breakthrough in battery lifetime and safety, since the use of flammable organic solvents is no longer needed. Our aim is to study the ways in which the ionic conductivity can be tuned and contribute to the understanding of the synthesis-structure-property relationships. We propose to perform muSR experiments on the two series of LiGaX4 (X = Cl, Br, I) and Li3MX6 (M = Y, Ho; X = Cl, Br) samples. Our interest is to asses the effect of both the mechanochemical synthesis and the varying polarizability of the anion framework (as a function of X). In order to obtain a definitive model of the crystal structure, we will also perform PND studies. These complementary studies will be of key importance to propose valid conduction mechanisms in our materials.
DOI: 10.5286/isis.e.rb2010517
title: In situ in operando TOF-GISANS during morphological changes during the cyclic voltammetry cycles of a paper supercapacitor.

description: Cellulose nanofibrils (CNFs) are widely used due to their attractive properties such as low density, biocompatibility, lightweight, thermal stability, and good mechanical properties. These prerequisites make cellulose nanofibrils a promising precursor or nanoscaffold for the design of bio composites. To fulfil requirements of environmentally friendly devices, we need to fully understand the molecular architecture of cellulose nanofibrils in networks and within the presence of other nanomaterials. This knowledge would be beneficial to elucidate application of such networks for supercapacitors and battery applications. CNF provides perfect nanonetwork for electroactive materials (i.e PEDOT:PSS) in order to manufacture polymer/paper based green energy storage device electrodes. Hence, we want to study in situ and in operando the morphological changes in a paper-based supercapacitor.
DOI: 10.5286/isis.e.rb2010517-1
title: In situ in operando TOF-GISANS during morphological changes during the cyclic voltammetry cycles of a paper supercapacitor.

description: Cellulose nanofibrils (CNFs) are widely used due to their attractive properties such as low density, biocompatibility, lightweight, thermal stability, and good mechanical properties. These prerequisites make cellulose nanofibrils a promising precursor or nanoscaffold for the design of bio composites. To fulfil requirements of environmentally friendly devices, we need to fully understand the molecular architecture of cellulose nanofibrils in networks and within the presence of other nanomaterials. This knowledge would be beneficial to elucidate application of such networks for supercapacitors and battery applications. CNF provides perfect nanonetwork for electroactive materials (i.e PEDOT:PSS) in order to manufacture polymer/paper based green energy storage device electrodes. Hence, we want to study in situ and in operando the morphological changes in a paper-based supercapacitor.
DOI: 10.5286/isis.e.rb2010537
title: Magnetic structure in the ordered state of a new Nd-based pyrochlore

description: Rare-earth pyrochlore A2B2O7 have been found to be interesting materials in which a rich spectrum of magnetic phenomena have been observed. Variation of rare-earth ion in A sites can modulate the magnetic ground state due to rather different crystal-field ground states in the D3d local symmetry of A sites. Here, we have prepared a new Nd-pyrochlore Nd2ScTaO7. It is found that the "moment fragmentation" is robust to the highly disordered crystal-field environment in B-site mixing Nd2ScTaO7 reflected by the coexistence of long-range order and diffuse scattering in the ground state. Moreover, the magnetic structure is argued to be different from the all-in-all-out magetic structure. Therefore, we propose to verify the exact magnetic structure in this new Nd-pyrochlore which can help to understand more about the role of crystal-field ground state on the pyrochlore physics.
DOI: 10.5286/isis.e.rb2010537-1
title: Magnetic structure in the ordered state of a new Nd-based pyrochlore

description: Rare-earth pyrochlore A2B2O7 have been found to be interesting materials in which a rich spectrum of magnetic phenomena have been observed. Variation of rare-earth ion in A sites can modulate the magnetic ground state due to rather different crystal-field ground states in the D3d local symmetry of A sites. Here, we have prepared a new Nd-pyrochlore Nd2ScTaO7. It is found that the "moment fragmentation" is robust to the highly disordered crystal-field environment in B-site mixing Nd2ScTaO7 reflected by the coexistence of long-range order and diffuse scattering in the ground state. Moreover, the magnetic structure is argued to be different from the all-in-all-out magetic structure. Therefore, we propose to verify the exact magnetic structure in this new Nd-pyrochlore which can help to understand more about the role of crystal-field ground state on the pyrochlore physics.
DOI: 10.5286/isis.e.rb2010358
title: Structural characterization and solvus/precipitation temperature determination of optimized VDM Alloy 780 Ni-base superalloy

description: It is planned to study the constituting phases and their solvus and precipitation temperatures of the new developed Ni base superalloy VDM 780 (developed for high temperature applications that require good mechanical properties and oxidation resistance) after an industrial optimization of the heat treatments and composition. First structure characterization was performed after 3 heat treatments designed to set up specific microstructures: only matrix with high temperature precipitates or also with different gamma’ hardening precipitates. After the industrial optimization, we want to study the phases and their solvus temperature in order to correlate these results with the heat treatments, composition and their mechanical properties. The final aim is to understand the process in order to adjust the heat treatments optimized and particularly designed for different specific applications.
DOI: 10.5286/isis.e.rb2010358-1
title: Structural characterization and solvus/precipitation temperature determination of optimized VDM Alloy 780 Ni-base superalloy

description: It is planned to study the constituting phases and their solvus and precipitation temperatures of the new developed Ni base superalloy VDM 780 (developed for high temperature applications that require good mechanical properties and oxidation resistance) after an industrial optimization of the heat treatments and composition. First structure characterization was performed after 3 heat treatments designed to set up specific microstructures: only matrix with high temperature precipitates or also with different gamma’ hardening precipitates. After the industrial optimization, we want to study the phases and their solvus temperature in order to correlate these results with the heat treatments, composition and their mechanical properties. The final aim is to understand the process in order to adjust the heat treatments optimized and particularly designed for different specific applications.
DOI: 10.5286/isis.e.rb2010356-1
title: Biowaste derived carbon for nitrogen/carbon dioxide separation

description: The planet is currently facing a severe problem with greenhouse gas emissions with the 2018 IPCC report setting a net zero target by 2040 if we are to avoid the worst effect of climate change. To achieve this effective carbon storage is necessary. This requires concentrated CO2 sources to avoid storing large quantities of N2 with the CO2. Therefore it is important to be able to selectively adsorb CO2 over N2. Porous carbons represent an ideal choice for gas separation due to their high surface area and tunable pore size, but they can also be produced via hydrothermal carbonization in a carbon negative way further increasing their potential to limit CO2 emmisions. Here we propose to use SANS and total neutron scattering at NIMROD to elucidate the gas storage mechanism for N2 and CO2 in a soft templated carbon with and with activation.
DOI: 10.5286/isis.e.rb2010054
title: Investigation of pyrazine:diacid co-crystal systems at high pressure

description: Multicomponent materials have been a significant strand of structural chemistry since the notion of crystal engineering was first explored. The ability to alter the physicochemical properties of a material without changing the inherent chemical connectivity is an intriguing quality relevant to the pharmaceutical, agrochemical, energetics industries. This proposal explores the use of high pressure to probe the relative responses of the pyrazine:acid hydrogen bond in two structurally related co-crystals. This study is an extension of the work conducted at Diamond Light Source as these materials either undergo a reconstructive phase transition or cannot be made as a single crystal. The Pearl instrument will allow for data to be collected on these systems so that molecular level detail of their response to pressure can be elucidated and coupled with our observations from the Diamond study.
DOI: 10.5286/isis.e.rb2010054-1
title: Investigation of pyrazine:diacid co-crystal systems at high pressure

description: Multicomponent materials have been a significant strand of structural chemistry since the notion of crystal engineering was first explored. The ability to alter the physicochemical properties of a material without changing the inherent chemical connectivity is an intriguing quality relevant to the pharmaceutical, agrochemical, energetics industries. This proposal explores the use of high pressure to probe the relative responses of the pyrazine:acid hydrogen bond in two structurally related co-crystals. This study is an extension of the work conducted at Diamond Light Source as these materials either undergo a reconstructive phase transition or cannot be made as a single crystal. The Pearl instrument will allow for data to be collected on these systems so that molecular level detail of their response to pressure can be elucidated and coupled with our observations from the Diamond study.
DOI: 10.5286/isis.e.rb2069002
title: Understanding the nanoarchitecture of bacterial cell walls

description: Bacteria are a huge problem due to the advent of antibiotic resistance, modern health interventions rely on using antibiotics to enable many everyday hospital operations and even dialysis. In order to kill bacteria with greater efficacy we need to better understand the structures that bacteria have developed to protect them from their environment. To do this requires us to study the bacteria outer cell walls that provide them with such amazing stability. The AFM work shown in this proposal challenges the conventional paradigm and shows how much like a cross linked hydrogel the outer cell wall is. Using SANS and SESANS we plan to study large numbers of genetically identical bacteria cell to quantify this layer and its internal nanostructure.
DOI: 10.5286/isis.e.rb2069002-1
title: Understanding the nanoarchitecture of bacterial cell walls

description: Bacteria are a huge problem due to the advent of antibiotic resistance, modern health interventions rely on using antibiotics to enable many everyday hospital operations and even dialysis. In order to kill bacteria with greater efficacy we need to better understand the structures that bacteria have developed to protect them from their environment. To do this requires us to study the bacteria outer cell walls that provide them with such amazing stability. The AFM work shown in this proposal challenges the conventional paradigm and shows how much like a cross linked hydrogel the outer cell wall is. Using SANS and SESANS we plan to study large numbers of genetically identical bacteria cell to quantify this layer and its internal nanostructure.
DOI: 10.5286/isis.e.rb2010518
title: Low-Temperature Phase Transitions in Spin Ice Thin Films

description: Pyrochlore titanates such as Dy2Ti2O7 (DTO) have become paradigmatic examples of spin ice compounds in which geometrical frustration inhibits magnetic ordering and leads to exotic physics. In bulk DTO, magnetic order fails to develop even at temperatures four times below the Curie-Weiss temperature of ~ 2K and upon further cooling the system falls out of equilibrium. We have developed high quality thin films of DTO on non-magnetic Y2Ti2O7 substrates. Sub-kelvin ac-susceptibility and specific heat measurements on a 30nm film of DTO indicate that in contrast to bulk DTO, thin films undergo an unusual phase transition ~0.8K and remain in equilibrium down to 0.35K. We propose to employ muons as sensitive magnetometers with a wide dynamical range to complement susceptibility and specific heat data and clarify the nature of the observed phase transition and low-temperature magnetic relaxation.
DOI: 10.5286/isis.e.rb2010518-1
title: Low-Temperature Phase Transitions in Spin Ice Thin Films

description: Pyrochlore titanates such as Dy2Ti2O7 (DTO) have become paradigmatic examples of spin ice compounds in which geometrical frustration inhibits magnetic ordering and leads to exotic physics. In bulk DTO, magnetic order fails to develop even at temperatures four times below the Curie-Weiss temperature of ~ 2K and upon further cooling the system falls out of equilibrium. We have developed high quality thin films of DTO on non-magnetic Y2Ti2O7 substrates. Sub-kelvin ac-susceptibility and specific heat measurements on a 30nm film of DTO indicate that in contrast to bulk DTO, thin films undergo an unusual phase transition ~0.8K and remain in equilibrium down to 0.35K. We propose to employ muons as sensitive magnetometers with a wide dynamical range to complement susceptibility and specific heat data and clarify the nature of the observed phase transition and low-temperature magnetic relaxation.
DOI: 10.5286/isis.e.rb2010767
title: Probing time-reversal symmetry breaking superconductivity in a brand new non-centrosymmetric superconductor Mg2Rh3P

description: The search for non-centrosymmetric superconductors that may exhibit unusual physical properties and unconventional superconductivity has yielded the synthesis of a new non-centrosymmetric phosphide Mg2Rh3P with an Al2Mo3C-type structure, which is superconducting with a Tc value of 3.8 K. The low gap-value extracted from the specific heat data indicate for unconventional superconductivity. Band-structure calculations indicate the existence of exotic fermions. The presence of heavy element Rh is expected to favour strong spin-orbit coupling. The missing inversion symmetry along with strong spin-orbit coupling makes this material an ideal candidate to study for time-reversal symmetry (TRS) breaking superconductivity using the muSR technique. Here we propose to investigate the superconducting properties of Mg2Rh3P with a combination of zero-field and transverse-field muSR measurements.
DOI: 10.5286/isis.e.rb2010767-1
title: Probing time-reversal symmetry breaking superconductivity in a brand new non-centrosymmetric superconductor Mg2Rh3P

description: The search for non-centrosymmetric superconductors that may exhibit unusual physical properties and unconventional superconductivity has yielded the synthesis of a new non-centrosymmetric phosphide Mg2Rh3P with an Al2Mo3C-type structure, which is superconducting with a Tc value of 3.8 K. The low gap-value extracted from the specific heat data indicate for unconventional superconductivity. Band-structure calculations indicate the existence of exotic fermions. The presence of heavy element Rh is expected to favour strong spin-orbit coupling. The missing inversion symmetry along with strong spin-orbit coupling makes this material an ideal candidate to study for time-reversal symmetry (TRS) breaking superconductivity using the muSR technique. Here we propose to investigate the superconducting properties of Mg2Rh3P with a combination of zero-field and transverse-field muSR measurements.
DOI: 10.5286/isis.e.rb2010209
title: Spontaneous liposome formation in the presence of amphiphilic drugs

description: Biological membranes and their interactions are naturally of the utmost importance for all living entities. Amphiphilic drugs interact and self-assemble with phospholipids and are expected to influence properties related to pharmacological activity and toxicity. For instance, they are expected to play a crucial role regarding specific interactions with receptor proteins, hemolytic degradation, as well as function as a drug delivery agent in release mechanisms and transport of drug molecules across cell membranes. The main purpose of the experiment is to determine the distribution of drug surfactants in spontaneously formed drug/phospholipid liposomes by means of employing hydrated as well as a deuterated phospholipid in a contrast match study.
DOI: 10.5286/isis.e.rb2010209-1
title: Spontaneous liposome formation in the presence of amphiphilic drugs

description: Biological membranes and their interactions are naturally of the utmost importance for all living entities. Amphiphilic drugs interact and self-assemble with phospholipids and are expected to influence properties related to pharmacological activity and toxicity. For instance, they are expected to play a crucial role regarding specific interactions with receptor proteins, hemolytic degradation, as well as function as a drug delivery agent in release mechanisms and transport of drug molecules across cell membranes. The main purpose of the experiment is to determine the distribution of drug surfactants in spontaneously formed drug/phospholipid liposomes by means of employing hydrated as well as a deuterated phospholipid in a contrast match study.
DOI: 10.5286/isis.e.rb2010644
title: Diffusion of lithium ions in structural carbon fibre electrodes

description: Current electric vehicles are hampered by the significant mass required for the battery components, much of which is metallic - current collectors, casing, etc. This can be replaced with structural electrodes, which carry both electrical charge and mechanical load. One promising possibility is to use carbon fibres, which can be tailored to meet a variety of mechanical needs, are reasonably good conductors, and can replace the graphite in a traditional lithium ion battery. However, the diffusive property and location of lithium ions within the fibres are not definitively known. Recent in-house NMR measurements indicate a fast exchange between two ion storage sites. We therefore wish to use µSR as an empirical probe of local ionic behaviour.
DOI: 10.5286/isis.e.rb2010644-1
title: Diffusion of lithium ions in structural carbon fibre electrodes

description: Current electric vehicles are hampered by the significant mass required for the battery components, much of which is metallic - current collectors, casing, etc. This can be replaced with structural electrodes, which carry both electrical charge and mechanical load. One promising possibility is to use carbon fibres, which can be tailored to meet a variety of mechanical needs, are reasonably good conductors, and can replace the graphite in a traditional lithium ion battery. However, the diffusive property and location of lithium ions within the fibres are not definitively known. Recent in-house NMR measurements indicate a fast exchange between two ion storage sites. We therefore wish to use µSR as an empirical probe of local ionic behaviour.
DOI: 10.5286/isis.e.rb1920341
title: Structure determination of compounds for the immobilisation of Iodine-129 and Technetium-99

description: 99Tc (half life 2.13 x 105 years) and 129I (half life 15.7 x 106 years) are abundant and long lived products of nuclear fission, with yields of 6% and 0.7% respectively for thermal fission of 235U. These radionuclides are of particular concern in closed nuclear fuel cycles, since the long half life and high production rate, combined with solubility and bioaccumulation. Future advanced nuclear fuel recycle strategies demand disposition of 99Tc and 129I in a robust wasteform, and isolation from the bio-sphere, in a deep geological disposal facility for 10E6 - 10E7 years. We have endeavoured to address this challenge, exploring the synthesis, structure and properties of ceramics for 129I and 99Tc disposition. Here, we propose to determine the structures of seven such ceramic compounds, within three families, using neutron powder diffraction, with natural isotopic abundance I and 99Tc.
DOI: 10.5286/isis.e.rb2000107
title: Magnetic order in Sr2RuO4 under large uniaxial stress

description: Sr2RuO4 is a well-studied unconventional superconductor which may be mediated by spin fluctuations. The pairing wavefunction (gap function) of the superconducting state appears to break time reversal symmetry, which would make it an electronic analogue of superfluid helium 3. It has not been possible to construct a pairing wavefunction which consistently describes the properties of Sr2RuO4. Our studies show that the electronic structure and superconducting properties of Sr2RuO4 evolve rapidly with uniaxial stress e.g. Tc increases by a factor of two. We recently carried out a muon spin rotation study under uniaxial stress and found magnetic order at 1.0 GPa. The co-existence of superconductivity and magnetic order will be important in understanding the unique superconductivity in Sr2RuO4. Here we propose to determine the structure and ordering wavevector of this new magnetic order.
DOI: 10.5286/isis.e.rb2000107-1
title: Magnetic order in Sr2RuO4 under large uniaxial stress

description: Sr2RuO4 is a well-studied unconventional superconductor which may be mediated by spin fluctuations. The pairing wavefunction (gap function) of the superconducting state appears to break time reversal symmetry, which would make it an electronic analogue of superfluid helium 3. It has not been possible to construct a pairing wavefunction which consistently describes the properties of Sr2RuO4. Our studies show that the electronic structure and superconducting properties of Sr2RuO4 evolve rapidly with uniaxial stress e.g. Tc increases by a factor of two. We recently carried out a muon spin rotation study under uniaxial stress and found magnetic order at 1.0 GPa. The co-existence of superconductivity and magnetic order will be important in understanding the unique superconductivity in Sr2RuO4. Here we propose to determine the structure and ordering wavevector of this new magnetic order.
DOI: 10.5286/isis.e.rb2068034
title: μSR study on the quasi-1D spin-1/2 quantum antiferromagnet NaVOPO4, close to the quantum critical point

description: We wish to carry out μSR experiments on a quasi-one-dimensional spin-1/2 antiferromagnet NaVOPO4. We have already studied the structural and magnetic properties of NaVOPO4 by means of x-ray diffraction, magnetic susceptibility, high-field magnetization, specific heat, and 31P nuclear magnetic resonance measurements. All our experimental results are well explained on the framework of 1D alternating spin chain model with a tiny spin gap. Interestingly, NaVOPO4 undergoes a field-induced quantum phase transition above a critical field of ~1.6 T. The H-T phase diagram resembles a dome type structure as reported in various quantum magnets undergoing Bose-Einstein condensation of triplons. The main objectives of our proposed μSR experiment are to search for magnetic long-range order down to 30 mK in zero field and to detect the field induced magnetic long-range order.