cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1970106-1
title: Investigations of the quantum critical behavior of S = 1/2 J1-J2 square lattice antiferromagnets Sr2Cu(Te1-xWx)O6

description: We propose the muon spin relaxation experiments at zero field and at longitudinal fields of Cu-based double perovskites Sr2Cu(Te1-xWx)O6 (x = 0.05, 0.08, 0.1) in order to clarify the nature of the wide range of the disordered phase including the quantum spin liquid state. From the magnetic susceptibility and the previous muon spin relaxation experiments, we confirmed the occurrence of a long-range antiferromagnetic order at 18 K for x = 0.05 and a quantum disordered state for x = 0.1. Those findings strongly suggest that The putative quantum critical point is expected to be around x = 0.08. From the investigations on three suggested compounds, we expect to draw the complete landscape of a quantum phase transition from the Neel antiferromagnetic order to the disordered state as well as to understand the quantum critical behavior in the view of the spin dynamics.
DOI: 10.5286/isis.e.rb1970106-2
title: Investigations of the quantum critical behavior of S = 1/2 J1-J2 square lattice antiferromagnets Sr2Cu(Te1-xWx)O6

description: We propose the muon spin relaxation experiments at zero field and at longitudinal fields of Cu-based double perovskites Sr2Cu(Te1-xWx)O6 (x = 0.05, 0.08, 0.1) in order to clarify the nature of the wide range of the disordered phase including the quantum spin liquid state. From the magnetic susceptibility and the previous muon spin relaxation experiments, we confirmed the occurrence of a long-range antiferromagnetic order at 18 K for x = 0.05 and a quantum disordered state for x = 0.1. Those findings strongly suggest that The putative quantum critical point is expected to be around x = 0.08. From the investigations on three suggested compounds, we expect to draw the complete landscape of a quantum phase transition from the Neel antiferromagnetic order to the disordered state as well as to understand the quantum critical behavior in the view of the spin dynamics.
DOI: 10.5286/isis.e.rb1920238
title: Identifying fractionalized magnetic excitations in the triangular spin-liquid candidate Na2BaCo(PO4)2

description: The experimental identification of quantum spin liquids (QSL) in real materials has been one of the challenging and fundamental goals in condensed matter physics. The newly discovered QSL candidate material Na2BaCo(PO4)2 forms triangular layers of Co2+ (jeff = 1/2) ions stacked along c-axis. Our preliminary experimental results give no hint for magnetic and structural phase transitions down to 50 mK. In addition, the large magnetic entropy points towards the presence of abundant low-lying magnetic excitations at low temperatures. Putting these together, Na2BaCo(PO4)2 is an attracting platform to explore the QSL in the triangular lattice. The proposed inelastic neutron scattering studies will critically test a QSL scenario by probing low-lying magnetic excitations as a function of temperature and magnetic field and thus determining spin-spin correlations.
DOI: 10.5286/isis.e.rb1920238-1
title: Identifying fractionalized magnetic excitations in the triangular spin-liquid candidate Na2BaCo(PO4)2

description: The experimental identification of quantum spin liquids (QSL) in real materials has been one of the challenging and fundamental goals in condensed matter physics. The newly discovered QSL candidate material Na2BaCo(PO4)2 forms triangular layers of Co2+ (jeff = 1/2) ions stacked along c-axis. Our preliminary experimental results give no hint for magnetic and structural phase transitions down to 50 mK. In addition, the large magnetic entropy points towards the presence of abundant low-lying magnetic excitations at low temperatures. Putting these together, Na2BaCo(PO4)2 is an attracting platform to explore the QSL in the triangular lattice. The proposed inelastic neutron scattering studies will critically test a QSL scenario by probing low-lying magnetic excitations as a function of temperature and magnetic field and thus determining spin-spin correlations.
DOI: 10.5286/isis.e.rb1920289
title: Investigation of Folded Globular Maltose Binding Protein Based Hydrogels

description: We have developed a new model to describe the structural architecture of hydrogels composed of cross-linked maltose binding proteins (MBP), supported by multiple techniques including SANS. We suggest that these gels are constituent of large fractal-like aggregates of folded MBP protein that are linked together by unfolded protein. In this new SANS proposal, we aim to determine the size and structure of the fractal aggregates present in MBP based hydrogels as a function of protein volume fraction. These experiments are crucial to validating our hypothesis of the structure of MBP hydrogels, which will provide insight into the structural parameters of folded protein hydrogels and assist the development of design rules for hydrogels with specific properties.
DOI: 10.5286/isis.e.rb1920289-1
title: Investigation of Folded Globular Maltose Binding Protein Based Hydrogels

description: We have developed a new model to describe the structural architecture of hydrogels composed of cross-linked maltose binding proteins (MBP), supported by multiple techniques including SANS. We suggest that these gels are constituent of large fractal-like aggregates of folded MBP protein that are linked together by unfolded protein. In this new SANS proposal, we aim to determine the size and structure of the fractal aggregates present in MBP based hydrogels as a function of protein volume fraction. These experiments are crucial to validating our hypothesis of the structure of MBP hydrogels, which will provide insight into the structural parameters of folded protein hydrogels and assist the development of design rules for hydrogels with specific properties.
DOI: 10.5286/isis.e.rb1920368
title: Human telomeric G-quadruplex complexed with the highly selective anticancer drug BRACO-19. A SANS investigation along the melting path.

description: G-quadruplexes (G4) are the focus of a number of studies in both fundamental and applied research, from cancer biology and novel therapeutics through to nanotechnology. The G4 topology depends on a variety of factors, such as the temperature and the specific interaction with ligands, i.e. potential anti-cancer drugs. Quite recently we have shown that in the case of the human telomeric quadruplex Tel22 both the free system and the one complexed with a model drug undergo melting through a multi-state process. This information is crucial to correctly modelize the Tel22 stability. Here we ask to do a SANS investigation of the complexation of Tel22 with BRACO-19, a potent stabilizer ligand with a remarkable in vivo single-agent antitumor activity. SANS measurements along the thermal unfolding path will reveal the large-scale structural features of the native and intermediate states.
DOI: 10.5286/isis.e.rb1920136
title: Cross sections of some efficient slow-neutron reflectors

description: The proposal seeks to investigate the reflection capacity of two systems that are candidates for use in the design of cold neutron sources. These are carbon nanodiamonds and magnesium hydride. The first shows a strong Small Angle Neutron Scattering component in its cross section, while the second has scattering distributions closer to the isotropy. The comparison between forward and backward scattering signals will serve to evaluate such properties. In addition, the transmission measured with the new 2D transmission detector will serve to confirm the presence of the SANS signal in the nanodiamond powder in contrast to the magnesium hydride. The DINS spectra will be used to analyze the effective temperatures of the atoms, a quantity that will be used in the formulation of the dynamic models of both systems, necessary to model the materials to perform Monte Carlo simulations.
DOI: 10.5286/isis.e.rb1920255
title: Interplay between the spin dimer and the triangular lattice in the 6H-perovskite system Ba3PrRu2O9

description: The recently discovered 6H-perovskite Ba3PrRu2O9 is comprised of the triangular layers formed by Pr4+ ions and the Ru2O9 dimer units located between the triangular layers. Three different exchange interactions (intra-dimer, intra-triangle, and between a triangular plane and a dimer) in Ba3PrRu2O9 provide an intriguing platform to study the interplay between the spin dimer and the triangular lattice. The magnetic susceptibility of Ba3PrRu2O9 exhibits a broad maximum at around 380 K and an antiferromagnetic ordering at TN = 10.5K, suggesting spin-gapped states arising from the Ru2O9 dimers and the ordering of the Pr spins, respectively. Thermodynamic measurements also support the long-range magnetic ordering of the Pr moments below TN. In this project, we will determine the arrangement of the spins within the Ru2O9 dimer and the underlying mechanism for the long-range magnetic ordering.
DOI: 10.5286/isis.e.rb1920255-1
title: Interplay between the spin dimer and the triangular lattice in the 6H-perovskite system Ba3PrRu2O9

description: The recently discovered 6H-perovskite Ba3PrRu2O9 is comprised of the triangular layers formed by Pr4+ ions and the Ru2O9 dimer units located between the triangular layers. Three different exchange interactions (intra-dimer, intra-triangle, and between a triangular plane and a dimer) in Ba3PrRu2O9 provide an intriguing platform to study the interplay between the spin dimer and the triangular lattice. The magnetic susceptibility of Ba3PrRu2O9 exhibits a broad maximum at around 380 K and an antiferromagnetic ordering at TN = 10.5K, suggesting spin-gapped states arising from the Ru2O9 dimers and the ordering of the Pr spins, respectively. Thermodynamic measurements also support the long-range magnetic ordering of the Pr moments below TN. In this project, we will determine the arrangement of the spins within the Ru2O9 dimer and the underlying mechanism for the long-range magnetic ordering.
DOI: 10.5286/isis.e.rb1920285
title: Halogen-free Solvents for Non-Fullerene Organic Solar Cells

description: Organic solar cells are an exciting, clean energy generating technology offering low-cost, scalable fabrication routes. New non-fullerene acceptors such as ITIC produce highly efficient devices but they are typically achieved using halogenated solvents which are harmful to human health and the environment. Using environmentally friendly, halogen-free solvents such as o-xylene and CS2:acetone not only mitigates these problems but also increases the ease of scalability and industrialisation. In Sheffield, we have produced halogen-free devices with efficiencies comparable to halogenated systems. Using SANS, we will probe the bulk morphology of a range of halogen-free blend thin-films. These results, combined with other characterisation techniques will allow us to develop a thorough understanding of the structure-property-function relationships which is key to improving device performance.
DOI: 10.5286/isis.e.rb1920285-1
title: Halogen-free Solvents for Non-Fullerene Organic Solar Cells

description: Organic solar cells are an exciting, clean energy generating technology offering low-cost, scalable fabrication routes. New non-fullerene acceptors such as ITIC produce highly efficient devices but they are typically achieved using halogenated solvents which are harmful to human health and the environment. Using environmentally friendly, halogen-free solvents such as o-xylene and CS2:acetone not only mitigates these problems but also increases the ease of scalability and industrialisation. In Sheffield, we have produced halogen-free devices with efficiencies comparable to halogenated systems. Using SANS, we will probe the bulk morphology of a range of halogen-free blend thin-films. These results, combined with other characterisation techniques will allow us to develop a thorough understanding of the structure-property-function relationships which is key to improving device performance.
DOI: 10.5286/isis.e.rb1920368-1
title: Human telomeric G-quadruplex complexed with the highly selective anticancer drug BRACO-19. A SANS investigation along the melting path.

description: G-quadruplexes (G4) are the focus of a number of studies in both fundamental and applied research, from cancer biology and novel therapeutics through to nanotechnology. The G4 topology depends on a variety of factors, such as the temperature and the specific interaction with ligands, i.e. potential anti-cancer drugs. Quite recently we have shown that in the case of the human telomeric quadruplex Tel22 both the free system and the one complexed with a model drug undergo melting through a multi-state process. This information is crucial to correctly modelize the Tel22 stability. Here we ask to do a SANS investigation of the complexation of Tel22 with BRACO-19, a potent stabilizer ligand with a remarkable in vivo single-agent antitumor activity. SANS measurements along the thermal unfolding path will reveal the large-scale structural features of the native and intermediate states.
DOI: 10.5286/isis.e.rb2000033
title: Residual Stress Measurement in Dissimilar Metal Weld Nozzles

description: In nuclear reactors such as pressurized water reactors (PWR), heavy section components, manufactured using low alloy steels, are connected to stainless steel piping systems through dissimilar metal welds (DMW). These welds are highly susceptible to stress corrosion cracking. Fracture mechanics and structural integrity assessments are currently being undertaken for the primary circuit at China General Nuclear Power (CGN) nuclear power station to manage the risk of primary water stress corrosion cracking (PWSCC). Consequently, knowledge of the magnitude and distribution of residual stress is of considerable importance. The purpose of the proposed experiments is to provide through thickness residual stresses in two components of different thicknesses to validate finite element models and contour method measurements.
DOI: 10.5286/isis.e.rb2000033-1
title: Residual Stress Measurement in Dissimilar Metal Weld Nozzles

description: In nuclear reactors such as pressurized water reactors (PWR), heavy section components, manufactured using low alloy steels, are connected to stainless steel piping systems through dissimilar metal welds (DMW). These welds are highly susceptible to stress corrosion cracking. Fracture mechanics and structural integrity assessments are currently being undertaken for the primary circuit at China General Nuclear Power (CGN) nuclear power station to manage the risk of primary water stress corrosion cracking (PWSCC). Consequently, knowledge of the magnitude and distribution of residual stress is of considerable importance. The purpose of the proposed experiments is to provide through thickness residual stresses in two components of different thicknesses to validate finite element models and contour method measurements.
DOI: 10.5286/isis.e.rb1920136-1
title: Cross sections of some efficient slow-neutron reflectors

description: The proposal seeks to investigate the reflection capacity of two systems that are candidates for use in the design of cold neutron sources. These are carbon nanodiamonds and magnesium hydride. The first shows a strong Small Angle Neutron Scattering component in its cross section, while the second has scattering distributions closer to the isotropy. The comparison between forward and backward scattering signals will serve to evaluate such properties. In addition, the transmission measured with the new 2D transmission detector will serve to confirm the presence of the SANS signal in the nanodiamond powder in contrast to the magnesium hydride. The DINS spectra will be used to analyze the effective temperatures of the atoms, a quantity that will be used in the formulation of the dynamic models of both systems, necessary to model the materials to perform Monte Carlo simulations.
DOI: 10.5286/isis.e.rb1920214
title: Latex-modified CNT/rGO-reinforced mortar with piezoelectric strain-sensing capabilities

description: New-developed and high-performance nanofiber-reinforced cementitious composites can be promising as strain-sensors, engaging in construction. Nanofiber dispersion can improve their piezoresistive behaviour without compromising workability. According to our results, polymeric latex makes it possible to tailor the nanofibers spatial distribution, allowing segregated morphology and advantages in both piezoresistive and structural properties.The incorporation of natural rubber latex promotes nanofibers segregation and their interaction with the cement matrix (due to hydrogen bonding interactions). The focus of the proposal is to study how the latex and the segregated morphology influence the vibrational signal of hydrogen bonding and energy of nanofiber-cement interface.The signatures of CNT/rGO+latex+mortar and CNT/rGO+mortar will be measured and compared with each component as a reference.
DOI: 10.5286/isis.e.rb1920214-1
title: Latex-modified CNT/rGO-reinforced mortar with piezoelectric strain-sensing capabilities

description: New-developed and high-performance nanofiber-reinforced cementitious composites can be promising as strain-sensors, engaging in construction. Nanofiber dispersion can improve their piezoresistive behaviour without compromising workability. According to our results, polymeric latex makes it possible to tailor the nanofibers spatial distribution, allowing segregated morphology and advantages in both piezoresistive and structural properties.The incorporation of natural rubber latex promotes nanofibers segregation and their interaction with the cement matrix (due to hydrogen bonding interactions). The focus of the proposal is to study how the latex and the segregated morphology influence the vibrational signal of hydrogen bonding and energy of nanofiber-cement interface.The signatures of CNT/rGO+latex+mortar and CNT/rGO+mortar will be measured and compared with each component as a reference.
DOI: 10.5286/isis.e.rb1920265
title: Inelastic neutron scattering studies on novel frustrated antiferromagnets Li3Mg2MO6 (M = Ru, Os)

description: A newly discovered novel frustrated antiferromagnets Li3Mg2MO6 (M = Ru, Os) constitutes edge-sharing triangles of M4+ ions (S = 3/2) linked by corner-sharing in the ab-plane. The M spins interact with each other via four different antiferromagnetic exchange interactions, J1, J2, J3 and J4. Despite the considerable geometrical frustration, Li3Mg2MO6 exhibits an antiferromagnetic long-range order at TN = 18 K for M = Ru and TN = 8 K for M = Os. Heat capacity and neutron diffraction results also show the development of short-range spin correlations well above TN for both compounds. All of the experimental results render Li3Mg2MO6 an intriguing platform to study the combined effects of geometrical frustration, complex energy hierarchy, and spin-orbit couplings. With the aid of inelastic neutron scattering, we can unveil the spin dynamics of Li3Mg2MO6 and complex energy hierarchy therein.
DOI: 10.5286/isis.e.rb1920265-1
title: Inelastic neutron scattering studies on novel frustrated antiferromagnets Li3Mg2MO6 (M = Ru, Os)

description: A newly discovered novel frustrated antiferromagnets Li3Mg2MO6 (M = Ru, Os) constitutes edge-sharing triangles of M4+ ions (S = 3/2) linked by corner-sharing in the ab-plane. The M spins interact with each other via four different antiferromagnetic exchange interactions, J1, J2, J3 and J4. Despite the considerable geometrical frustration, Li3Mg2MO6 exhibits an antiferromagnetic long-range order at TN = 18 K for M = Ru and TN = 8 K for M = Os. Heat capacity and neutron diffraction results also show the development of short-range spin correlations well above TN for both compounds. All of the experimental results render Li3Mg2MO6 an intriguing platform to study the combined effects of geometrical frustration, complex energy hierarchy, and spin-orbit couplings. With the aid of inelastic neutron scattering, we can unveil the spin dynamics of Li3Mg2MO6 and complex energy hierarchy therein.
DOI: 10.5286/isis.e.rb1920265-2
title: Inelastic neutron scattering studies on novel frustrated antiferromagnets Li3Mg2MO6 (M = Ru, Os)

description: A newly discovered novel frustrated antiferromagnets Li3Mg2MO6 (M = Ru, Os) constitutes edge-sharing triangles of M4+ ions (S = 3/2) linked by corner-sharing in the ab-plane. The M spins interact with each other via four different antiferromagnetic exchange interactions, J1, J2, J3 and J4. Despite the considerable geometrical frustration, Li3Mg2MO6 exhibits an antiferromagnetic long-range order at TN = 18 K for M = Ru and TN = 8 K for M = Os. Heat capacity and neutron diffraction results also show the development of short-range spin correlations well above TN for both compounds. All of the experimental results render Li3Mg2MO6 an intriguing platform to study the combined effects of geometrical frustration, complex energy hierarchy, and spin-orbit couplings. With the aid of inelastic neutron scattering, we can unveil the spin dynamics of Li3Mg2MO6 and complex energy hierarchy therein.
DOI: 10.5286/isis.e.rb1920524
title: Structural Observation of the Self-Assembly Kinetics of Cyclic Peptide Nanotubes

description: Cyclic peptides with alternating side chain stereochemistry are capable of self-assembling into long nanotubes. The conjugation of polymers to these peptides renders the resulting nanotubes water soluble, whilst providing functionality. Self-assembled nanotubes have promising applications in drug encapsulation and delivery where controlled assembly and disassembly is required for tailoring drug release. We have synthesised a pH-responsive peptide which will assemble or disassemble triggered by a change in pH in different subcellular compartments. We propose to investigate the influence of both polymer chain length and drug conjugation on nanotube self-assembly kinetics and observe nanotube structural evolution using time-resolved SANS with in-line UV-vis and fluorescence spectroscopy. This will enable the optimised design of controlled, tuneable nanotubes as drug delivery vectors.
DOI: 10.5286/isis.e.rb1920524-1
title: Structural Observation of the Self-Assembly Kinetics of Cyclic Peptide Nanotubes

description: Cyclic peptides with alternating side chain stereochemistry are capable of self-assembling into long nanotubes. The conjugation of polymers to these peptides renders the resulting nanotubes water soluble, whilst providing functionality. Self-assembled nanotubes have promising applications in drug encapsulation and delivery where controlled assembly and disassembly is required for tailoring drug release. We have synthesised a pH-responsive peptide which will assemble or disassemble triggered by a change in pH in different subcellular compartments. We propose to investigate the influence of both polymer chain length and drug conjugation on nanotube self-assembly kinetics and observe nanotube structural evolution using time-resolved SANS with in-line UV-vis and fluorescence spectroscopy. This will enable the optimised design of controlled, tuneable nanotubes as drug delivery vectors.
DOI: 10.5286/isis.e.rb1920708-2
title: A detailed study of magnetic diffuse scattering in a low-dimension ferromagnet CePdSb

description: We have carried out detailed investigations on the ferromagnetic (FM) Kondo lattice CePdSb, in polycrystal as well as single crystal form (TC=17.5K) using magnetization, neutron diffraction, inelastic neutron scattering and heat capacity. This has turned out to be an extraordinary compound, which exhibits pronounced anomaly at 10 K, well below TC=17.5K in the heat capacity and small-angle neutron scattering (SANS) and very weak anomaly at TC. Surprisingly, the correlation lengths in the ab-plane as well as along the c-axis are finite between TC and 10 K and the correlation lengths diverse only below 10K. Our preliminary study of the diffuse scattering in CePdSb on PRISMA (RB 20357) reveals a clear presence of diffuse scattering at 12K. We propose here to carry out a detailed diffuse scattering study in CePdSb using the SXD diffractometer at various temperatures between 2K and 50K.