cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010750
title: Reaction Dynamics and Radical Formation Times in Benzene vs Hexamethylbenzene

description: There is a large amount of interest in studying reaction dynamics as this has an important role in many areas of chemistry, such as within the atmosphere or combustion reactions. Using a thermodynamic approach doesn't always give you the right answer as there are competitions between thermodynamic and kinetic products where the speed of reactions has an important role in determining how the reaction progresses and what products you get. Muons can provide some unique insight as they form the muonium atoms, which is considered the lightest isotope of hydrogen, and an extremely reactive species. Using muonium one can look at the reactions that would involve hydrogen and allow us to test kinetic theories and move on to test potential energy surfaces. This proposal seeks to utilise this technique to look at benzene and hexamethylbenzene where we believe the rates of addition are different.
DOI: 10.5286/isis.e.rb2010750-1
title: Reaction Dynamics and Radical Formation Times in Benzene vs Hexamethylbenzene

description: There is a large amount of interest in studying reaction dynamics as this has an important role in many areas of chemistry, such as within the atmosphere or combustion reactions. Using a thermodynamic approach doesn't always give you the right answer as there are competitions between thermodynamic and kinetic products where the speed of reactions has an important role in determining how the reaction progresses and what products you get. Muons can provide some unique insight as they form the muonium atoms, which is considered the lightest isotope of hydrogen, and an extremely reactive species. Using muonium one can look at the reactions that would involve hydrogen and allow us to test kinetic theories and move on to test potential energy surfaces. This proposal seeks to utilise this technique to look at benzene and hexamethylbenzene where we believe the rates of addition are different.
DOI: 10.5286/isis.e.rb2010013
title: PROBING CHEMORESISTANCE TO Pt- AND Pd-DRUGS BY INS SPECTROSCOPY

description: The present experiment aims to apply INS spectroscopy to study anticancer drug binding to human serum albumin (HSA), the most abundant transport protein in human blood. This process is directly associated with intravenous drug transport and bioavailability at the target, as well as with resistance to metal-based antitumour agents. The latter is one of the major limiting factors in cancer treatment, since it severely undermines chemotherapy. A Pd-drug developed by the team will be tested, as well as the clinically used drug cisplatin.Coupled to previous data gathered by the applicants on a drug´s impact in human cancer cells and DNA (including experiments at ISIS and Diamond), the present study is expected to contribute to a better understanding of the pharmacokinetics of metal-based agents, with a view to improve their efficacy and overcome acquired resistance.
DOI: 10.5286/isis.e.rb2010013-1
title: PROBING CHEMORESISTANCE TO Pt- AND Pd-DRUGS BY INS SPECTROSCOPY

description: The present experiment aims to apply INS spectroscopy to study anticancer drug binding to human serum albumin (HSA), the most abundant transport protein in human blood. This process is directly associated with intravenous drug transport and bioavailability at the target, as well as with resistance to metal-based antitumour agents. The latter is one of the major limiting factors in cancer treatment, since it severely undermines chemotherapy. A Pd-drug developed by the team will be tested, as well as the clinically used drug cisplatin.Coupled to previous data gathered by the applicants on a drug´s impact in human cancer cells and DNA (including experiments at ISIS and Diamond), the present study is expected to contribute to a better understanding of the pharmacokinetics of metal-based agents, with a view to improve their efficacy and overcome acquired resistance.
DOI: 10.5286/isis.e.rb2000180
title: Spin-waves in Nd2PdSi3 with coexistent ferromagnetism and antiferromagnetism

description: Rare-earth magnetic materials often exhibit complex magnetic ordering, due to the presence of competing magnetic interactions. In our previous neutron diffraction study, we found evidence that Nd2PdSi3 is one such example, since it exhibits both ferromagnetic (FM) and antiferromagnetic (AFM) Bragg peaks in the ordered phase. We recently performed inelastic neutron scattering measurements on a Nd2PdSi3 single crystal, so as to determine the underlying magnetic exchange interactions, giving us a microscopic understanding of the complex magnetic ground state. At 8 K, we observed both AFM and FM spin-waves, in line with that expected from the neutron diffraction study. In order to complete our study, and understand the interplay between FM and AFM interactions, we request an additional three days to measure the spin-waves of Nd2PdSi3 at 2 K, where the system is close to a uniform FM state.
DOI: 10.5286/isis.e.rb2000180-1
title: Spin-waves in Nd2PdSi3 with coexistent ferromagnetism and antiferromagnetism

description: Rare-earth magnetic materials often exhibit complex magnetic ordering, due to the presence of competing magnetic interactions. In our previous neutron diffraction study, we found evidence that Nd2PdSi3 is one such example, since it exhibits both ferromagnetic (FM) and antiferromagnetic (AFM) Bragg peaks in the ordered phase. We recently performed inelastic neutron scattering measurements on a Nd2PdSi3 single crystal, so as to determine the underlying magnetic exchange interactions, giving us a microscopic understanding of the complex magnetic ground state. At 8 K, we observed both AFM and FM spin-waves, in line with that expected from the neutron diffraction study. In order to complete our study, and understand the interplay between FM and AFM interactions, we request an additional three days to measure the spin-waves of Nd2PdSi3 at 2 K, where the system is close to a uniform FM state.
DOI: 10.5286/isis.e.rb2010621
title: The magnetic ground state of the elemental spin-liquid candidate beta-Mn

description: The aim of this proposal is to characterise the magnetic ground state of beta-Mn at mK temperatures using the WISH diffractometer. It has been claimed for many years that geometric frustration of Mn atoms on the beta-Mn hyperkagome lattice impedes the formation of a long-range ordered state at low temperatures, despite strong spin-correlations from room temperature which indicate large exchange interactions. However, and astonishingly, this claim has never been checked directly with neutron powder diffraction at mK temperatures. Recent muon measurements see some sort of dynamical cross-over and around 700 mK, but heat capacity measurements see no sign of a phase transition at low temperatures. This experiment will either confirm beta-Mn as a strongly correlated spin-liquid, or else enable the characterisation of the long-range ordered ground state if it exists.
DOI: 10.5286/isis.e.rb2010621-1
title: The magnetic ground state of the elemental spin-liquid candidate beta-Mn

description: The aim of this proposal is to characterise the magnetic ground state of beta-Mn at mK temperatures using the WISH diffractometer. It has been claimed for many years that geometric frustration of Mn atoms on the beta-Mn hyperkagome lattice impedes the formation of a long-range ordered state at low temperatures, despite strong spin-correlations from room temperature which indicate large exchange interactions. However, and astonishingly, this claim has never been checked directly with neutron powder diffraction at mK temperatures. Recent muon measurements see some sort of dynamical cross-over and around 700 mK, but heat capacity measurements see no sign of a phase transition at low temperatures. This experiment will either confirm beta-Mn as a strongly correlated spin-liquid, or else enable the characterisation of the long-range ordered ground state if it exists.
DOI: 10.5286/isis.e.rb2010364
title: In Situ Diffusion Measurements of Next Generation Cathodes Materials by Muon Spectroscopy

description: The development of high capacity cathode materials is becoming increasingly vital as the electric vehicle necessity grows rapidly worldwide. Ni-rich cathode material possess excellent potential for use in such next-generation battery technology, offering high practical capacities (&gt; 200 mAh/g) and significant removal of unethically mined and expensive cobalt. However, debilitating degradation processes over repeated cycling are limiting the materials usable lifetime. We plan to perform ionic diffusion measurements for an in situ cell over repeated cycling at high potentials, where degradation mechanisms are the most destructive. This will allow us to elucidate key ionic diffusion parameter changes that occur within the material which can be linked to complementary information from other techniques to provide a comprehensive picture of how degradation mechanisms affect ionic transport.
DOI: 10.5286/isis.e.rb2010364-1
title: In Situ Diffusion Measurements of Next Generation Cathodes Materials by Muon Spectroscopy

description: The development of high capacity cathode materials is becoming increasingly vital as the electric vehicle necessity grows rapidly worldwide. Ni-rich cathode material possess excellent potential for use in such next-generation battery technology, offering high practical capacities (&gt; 200 mAh/g) and significant removal of unethically mined and expensive cobalt. However, debilitating degradation processes over repeated cycling are limiting the materials usable lifetime. We plan to perform ionic diffusion measurements for an in situ cell over repeated cycling at high potentials, where degradation mechanisms are the most destructive. This will allow us to elucidate key ionic diffusion parameter changes that occur within the material which can be linked to complementary information from other techniques to provide a comprehensive picture of how degradation mechanisms affect ionic transport.
DOI: 10.5286/isis.e.rb2010728
title: Recrystallization behaviours of R-BUTed and Screw rolled electrical steel sheets

description: This work would address how to increase the efficiency of the electric motors leading to how more power stored into the vehicle batteries and reduce the electric loss in service. That would lead to get longer ride from electric vehicles without using more batteries or increasing weight of the vehicle. Hence, this work aims to investigate how magnetic properties of E-steels can be tackled by changing in manufacturing route. Non-oriented electrical steels (E-steels) are the most common choice for core lamination material for generators, alternators and electrical motors. Magnetic properties of these materials such as magnetization curves, permeability and specific losses, to a large extent, correlated with the microstructure and especially crystallographic texture.
DOI: 10.5286/isis.e.rb2010728-1
title: Recrystallization behaviours of R-BUTed and Screw rolled electrical steel sheets

description: This work would address how to increase the efficiency of the electric motors leading to how more power stored into the vehicle batteries and reduce the electric loss in service. That would lead to get longer ride from electric vehicles without using more batteries or increasing weight of the vehicle. Hence, this work aims to investigate how magnetic properties of E-steels can be tackled by changing in manufacturing route. Non-oriented electrical steels (E-steels) are the most common choice for core lamination material for generators, alternators and electrical motors. Magnetic properties of these materials such as magnetization curves, permeability and specific losses, to a large extent, correlated with the microstructure and especially crystallographic texture.
DOI: 10.5286/isis.e.rb2010245
title: Slow dynamics in possible new spin ice

description: In the search for new quantum materials, we believe we have found the first spin ice with a fluorite structure. Xray diffraction has confirmed the structure and there is Paulings residual entropy at the lowest temperatures. This would be a very unique sample because the geometrical frustration associated with spin ice and the pyrochlore lattice is reduced here and the mean interaction strength is antiferromagnetic rather than the more traditional ferromagnetic.We wish to study several samples in the Ho2(Zr,Ti)2O7 series where both end members appear to be spin ice, although there is a structural transition from pyrochlore to fluorite along the series
DOI: 10.5286/isis.e.rb2010245-1
title: Slow dynamics in possible new spin ice

description: In the search for new quantum materials, we believe we have found the first spin ice with a fluorite structure. Xray diffraction has confirmed the structure and there is Paulings residual entropy at the lowest temperatures. This would be a very unique sample because the geometrical frustration associated with spin ice and the pyrochlore lattice is reduced here and the mean interaction strength is antiferromagnetic rather than the more traditional ferromagnetic.We wish to study several samples in the Ho2(Zr,Ti)2O7 series where both end members appear to be spin ice, although there is a structural transition from pyrochlore to fluorite along the series
DOI: 10.5286/isis.e.rb2010698
title: Anomalous compressibility of ferroelastic and post-ferroelastic copper-containing framework materials

description: The large and diverse family of framework materials are attractive when seeking to design materials with specific properties. By judicious choice of metal and molecular linker we can in principle – on the atomic scale – construct materials with specific topologies, functionalities or porosity. We seek to make materials with extreme and unusual properties, such as negative thermal expansion (expansion on cooling) and negative linear compressibility (expansion in one direction upon compression). Here we seek to understand if mechanisms of NLC known in conventional materials can be found in framework materials, and if this response is larger than in previously explored systems. We propose measuring two copper-containing frameworks at high pressure to reveal their high pressure responses and mechanisms.
DOI: 10.5286/isis.e.rb2010698-1
title: Anomalous compressibility of ferroelastic and post-ferroelastic copper-containing framework materials

description: The large and diverse family of framework materials are attractive when seeking to design materials with specific properties. By judicious choice of metal and molecular linker we can in principle – on the atomic scale – construct materials with specific topologies, functionalities or porosity. We seek to make materials with extreme and unusual properties, such as negative thermal expansion (expansion on cooling) and negative linear compressibility (expansion in one direction upon compression). Here we seek to understand if mechanisms of NLC known in conventional materials can be found in framework materials, and if this response is larger than in previously explored systems. We propose measuring two copper-containing frameworks at high pressure to reveal their high pressure responses and mechanisms.
DOI: 10.5286/isis.e.rb2010402
title: Detecting magnetic ground state in a layered frustrated quantum magnet

description: Quantum spin liquid (QSL) has always been a research hot spot since it was proposed due to its intriguing physics and potential application in quantum information. This time, we propose a MuSR experiment on a newly synthesized promising QSL candidate BiOCu2(TeO3)(SO4)(OD)·D2O, which possesses a new kind of geometrically frustrated lattice structure. The sample quality has been confirmed by XRD. We haven't seen any evidence of magnetic long range order in neutron diffraction experiment and transport measurements. On considering our preliminary work, we propose to conduct a MuSR experiment to clarify the local magnetic environment in this newly synthesized QSL candidate.
DOI: 10.5286/isis.e.rb2010402-1
title: Detecting magnetic ground state in a layered frustrated quantum magnet

description: Quantum spin liquid (QSL) has always been a research hot spot since it was proposed due to its intriguing physics and potential application in quantum information. This time, we propose a MuSR experiment on a newly synthesized promising QSL candidate BiOCu2(TeO3)(SO4)(OD)·D2O, which possesses a new kind of geometrically frustrated lattice structure. The sample quality has been confirmed by XRD. We haven't seen any evidence of magnetic long range order in neutron diffraction experiment and transport measurements. On considering our preliminary work, we propose to conduct a MuSR experiment to clarify the local magnetic environment in this newly synthesized QSL candidate.
DOI: 10.5286/isis.e.rb2010111
title: Investigation of dynamic Jahn-Teller fluctuations in Ni3+-rich Li ion battery cathode materials

description: LiNi0.8Mn0.1Co0.1O2 , LiNi0.6Mn0.2Co0.2O2 and LiNi0.8Co0.15Al0.05O2, commonly known as Li NMC 811, Li NMC 622 and Li NCA respectively, are next-generation Li ion battery cathode materials containing Jahn-Teller active Ni3+ as the main redox-active ion. The presence of dynamic Jahn-Teller distortions, which would significantly impact their electrochemical performance, remains an open question. We propose to study the temperature evolution of the phonon modes associated with the dynamic Jahn-Teller distortions at two incident energies for Li NMC 811, Li NMC 622 and Li NCA.
DOI: 10.5286/isis.e.rb2010111-1
title: Investigation of dynamic Jahn-Teller fluctuations in Ni3+-rich Li ion battery cathode materials

description: LiNi0.8Mn0.1Co0.1O2 , LiNi0.6Mn0.2Co0.2O2 and LiNi0.8Co0.15Al0.05O2, commonly known as Li NMC 811, Li NMC 622 and Li NCA respectively, are next-generation Li ion battery cathode materials containing Jahn-Teller active Ni3+ as the main redox-active ion. The presence of dynamic Jahn-Teller distortions, which would significantly impact their electrochemical performance, remains an open question. We propose to study the temperature evolution of the phonon modes associated with the dynamic Jahn-Teller distortions at two incident energies for Li NMC 811, Li NMC 622 and Li NCA.
DOI: 10.5286/isis.e.rb2010111-2
title: Investigation of dynamic Jahn-Teller fluctuations in Ni3+-rich Li ion battery cathode materials

description: LiNi0.8Mn0.1Co0.1O2 , LiNi0.6Mn0.2Co0.2O2 and LiNi0.8Co0.15Al0.05O2, commonly known as Li NMC 811, Li NMC 622 and Li NCA respectively, are next-generation Li ion battery cathode materials containing Jahn-Teller active Ni3+ as the main redox-active ion. The presence of dynamic Jahn-Teller distortions, which would significantly impact their electrochemical performance, remains an open question. We propose to study the temperature evolution of the phonon modes associated with the dynamic Jahn-Teller distortions at two incident energies for Li NMC 811, Li NMC 622 and Li NCA.
DOI: 10.5286/isis.e.rb1920588
title: Dynamics of the plastic crystal adamantane under pressure

description: Adamantane is a spherical hydrocarbon whose dynamics and order-disorder phase transition have been well studied under ambient conditions. However, excitation studies under pressure have so far been limited to Raman studies at the gamma point. Recent interest in order-disorder transitions in molecular crystals for barocaloric cooling, together with the recent development of a pressure cell for the ISIS excitation instruments, make it highly topical to measure this material's dynamics under pressure. As well as having substantial scientific interest in its own right, this material is among the simplest molecular order-disorder systems and thus serves as a useful early experiment using the new pressure cell.
DOI: 10.5286/isis.e.rb1920588-1
title: Dynamics of the plastic crystal adamantane under pressure

description: Adamantane is a spherical hydrocarbon whose dynamics and order-disorder phase transition have been well studied under ambient conditions. However, excitation studies under pressure have so far been limited to Raman studies at the gamma point. Recent interest in order-disorder transitions in molecular crystals for barocaloric cooling, together with the recent development of a pressure cell for the ISIS excitation instruments, make it highly topical to measure this material's dynamics under pressure. As well as having substantial scientific interest in its own right, this material is among the simplest molecular order-disorder systems and thus serves as a useful early experiment using the new pressure cell.
DOI: 10.5286/isis.e.rb2010721
title: Magnetic structure of rhombohedral honeycomb antiferromagnets

description: We propose to determine details of the magnetic structure in the layered honeycomb easy-plane magnet CoTiO3, with ferromagnetic honeycomb layers stacked antiferromagnetically. In recent inelastic measurements on MERLIN we observed a spin gap at low energies, suggesting a preferential orientation of the moments. This is unexpected as no local anisotropy is allowed for Kramers ions and the three-fold symmetry of the crystal structure ensures that no anisotropic bilinear spin exchanges can select a unique moment orientation in the ab plane. The ground state selection could be due to quantum zero-point fluctuations, here we plan to search for evidence of a substantial reduction of the ordered moment expected if this mechanism was applicable. We also propose complementary and contrasting measurements on the easy-axis FeTiO3, where an almost full ordered moment is expected along the c-axis.
DOI: 10.5286/isis.e.rb2010721-1
title: Magnetic structure of rhombohedral honeycomb antiferromagnets

description: We propose to determine details of the magnetic structure in the layered honeycomb easy-plane magnet CoTiO3, with ferromagnetic honeycomb layers stacked antiferromagnetically. In recent inelastic measurements on MERLIN we observed a spin gap at low energies, suggesting a preferential orientation of the moments. This is unexpected as no local anisotropy is allowed for Kramers ions and the three-fold symmetry of the crystal structure ensures that no anisotropic bilinear spin exchanges can select a unique moment orientation in the ab plane. The ground state selection could be due to quantum zero-point fluctuations, here we plan to search for evidence of a substantial reduction of the ordered moment expected if this mechanism was applicable. We also propose complementary and contrasting measurements on the easy-axis FeTiO3, where an almost full ordered moment is expected along the c-axis.
DOI: 10.5286/isis.e.rb2010318
title: Measuring Radiation Effects on Robotic Systems

description: Performance degradation analysis of the sensors and embedded computing systems in the radiation-rich environment is a research area for nuclear robotics. In this perspective, a couple of experiments are proposed to capture the neutron-induced noise various camera, sensors and ZYNQ FPGA. The experiments are designed to maintain a log of the data from the irradiated devices to a wide neutron fluence range. The captured data will be useful in modelling the device under test (DUT) performance degradation as the function of the neutron fluence. Such models can be useful for researchers planning similar deployments and for algorithms facilitating radiation robust operation. The degradation analysis requires periodic irradiation of the DUT from a high flux collimated neutron beam, and a 72-hour beam time at the ChipIR facility is ideal to support the said need.