cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010600
title: In-situ residual stress relaxation studies of Laser Beam Melted (LBM) AISI 316L

description: Additive manufacturing, otherwise know as 3D printing is gaining in industrial relevance as a manufacturing technique partially due to the ability to fabricate complex geometries. Laser Beam Melting is one of the techniques used for additve manufacture of metallic components. The laser locally melts a bed of powder material generating high temperature gradients which can generate high residual or "locked-in" stresses. These residual stresses are usually reduced through heat treatments which minimise the risk of distorsion and detelerious influences on fatigue behaviour. Building on previous experiments and scheduled work on ENGIN-X, the aim is to characterise in-situ the decrease of residual stresses with time and temperature to understand the underlying mechanisms of stress relaxation in LBM AISI 316L.
DOI: 10.5286/isis.e.rb2010600-1
title: In-situ residual stress relaxation studies of Laser Beam Melted (LBM) AISI 316L

description: Additive manufacturing, otherwise know as 3D printing is gaining in industrial relevance as a manufacturing technique partially due to the ability to fabricate complex geometries. Laser Beam Melting is one of the techniques used for additve manufacture of metallic components. The laser locally melts a bed of powder material generating high temperature gradients which can generate high residual or "locked-in" stresses. These residual stresses are usually reduced through heat treatments which minimise the risk of distorsion and detelerious influences on fatigue behaviour. Building on previous experiments and scheduled work on ENGIN-X, the aim is to characterise in-situ the decrease of residual stresses with time and temperature to understand the underlying mechanisms of stress relaxation in LBM AISI 316L.
DOI: 10.5286/isis.e.rb2010605
title: Powdered averaged excitations in Fe2TiO4 – A precursor experiment for future single crystal studies:

description: We are currently investigating soft acoustic phonons in systems that display a Jahn-Teller distortion. We have previously investigated the case of an orbital degeneracy in the t2g channel and are pursuing systems where there is a degeneracy in the eg orbitals. As a precursor to single crystal work, we request 3 days on MARI to map out the powder averaged magnetic response in Fe2TiO4. This compound displays a large magnetostriction at 150 K where magnetic and structural transitions occur. The work will guide future single crystal studies.
DOI: 10.5286/isis.e.rb2010605-1
title: Powdered averaged excitations in Fe2TiO4 – A precursor experiment for future single crystal studies:

description: We are currently investigating soft acoustic phonons in systems that display a Jahn-Teller distortion. We have previously investigated the case of an orbital degeneracy in the t2g channel and are pursuing systems where there is a degeneracy in the eg orbitals. As a precursor to single crystal work, we request 3 days on MARI to map out the powder averaged magnetic response in Fe2TiO4. This compound displays a large magnetostriction at 150 K where magnetic and structural transitions occur. The work will guide future single crystal studies.
DOI: 10.5286/isis.e.rb2010108-2
title: Deep Inelastic Inelastic Scattering : The case of water and its isotopomers

description: Currently, there are no Deep Inelastic Inelastic Scattering studies on H2O18. We propose to perform a DINS parametric experiment on H2O18 at the following temperatures, in the solid and liquid phases: 271K (solid), 275K, 280K, 300K, and 330K.The comparison of the momentum distributions for various phases /thermodynamic conditions of H2O18 should shed more light on the nature of the chemical environment of the proton. Furthermore, the experiment should also provide a direct verification of the subtle competing effects that make H2O18 more structured – an effect which may be difficult to measure accurately through total scattering. On the side of theory, atomistic simulations will be performed for heavy water using dedicated water potentials.
DOI: 10.5286/isis.e.rb2010729
title: Variable temperature study of new mixed anion and cation fast-ion conductors of the series LixNa1-x(BD4)1-yIy

description: Since lithium borohydride is a good lithium-ion conductor at high temperature, it is proposed that by partial substitution of different anions and cations, the high temperature and pressure phases may be stabilised and ambient conditions, and that these materials may be good lithium ion conductors as well. Neutron diffraction will be used to study the dynamics and structure of several members of the series LixNa1-x(BD4)1-yIy, in particular to investigate the anomalously high unit cell size corresponding to higher lithium content, and the lithium transport mechanism.
DOI: 10.5286/isis.e.rb2010729-1
title: Variable temperature study of new mixed anion and cation fast-ion conductors of the series LixNa1-x(BD4)1-yIy

description: Since lithium borohydride is a good lithium-ion conductor at high temperature, it is proposed that by partial substitution of different anions and cations, the high temperature and pressure phases may be stabilised and ambient conditions, and that these materials may be good lithium ion conductors as well. Neutron diffraction will be used to study the dynamics and structure of several members of the series LixNa1-x(BD4)1-yIy, in particular to investigate the anomalously high unit cell size corresponding to higher lithium content, and the lithium transport mechanism.
DOI: 10.5286/isis.e.rb2010191
title: Structural Assemblyl of Reflectin Induced by Small Molecules

description: In this proposal, we will pioneer the use of SANS to investgate the structural assembly of reflectin in the presence of small molecules. Intrinsic self-assembly, along with the higher-order assembly triggered by the small molecules such as imidazole may serve as a prototype of the reflector. The addition of imidazole to reflectin changes the color from colorless to yellow and the protein assembly from brick-like to regular hexagonal lamellar structure as observed by spectral scanning and NMR experiments. We therefore propose a ‘reflector model’ of cephalopod color-blind camouflage based on the diversity and hierarchical assembly of reflectin. Our study will help elucidate the molecular mechanism of reflectin-mediated structural coloration and bio-invisibility, and with a perspective for bioinspired photonic materials.
DOI: 10.5286/isis.e.rb2010191-1
title: Structural Assemblyl of Reflectin Induced by Small Molecules

description: In this proposal, we will pioneer the use of SANS to investgate the structural assembly of reflectin in the presence of small molecules. Intrinsic self-assembly, along with the higher-order assembly triggered by the small molecules such as imidazole may serve as a prototype of the reflector. The addition of imidazole to reflectin changes the color from colorless to yellow and the protein assembly from brick-like to regular hexagonal lamellar structure as observed by spectral scanning and NMR experiments. We therefore propose a ‘reflector model’ of cephalopod color-blind camouflage based on the diversity and hierarchical assembly of reflectin. Our study will help elucidate the molecular mechanism of reflectin-mediated structural coloration and bio-invisibility, and with a perspective for bioinspired photonic materials.
DOI: 10.5286/isis.e.rb2010624
title: Dynamics of purely coherent tail-tail correlation in lipid bilayers

description: Lipid molecules are a basic building block for biological membranes. We have studied the collective membrane fluctuations by neutron spin echo and extracted bending and area compressibility moduli and membrane viscosity. The latter is one of two important parameters to characterize transport properties in membranes. The other important parameter, the molecular diffusion constant, was measured by us using neutron backscattering. Interestingly we observe that the temperature and molecular size dependence of the viscosity and diffusion constant are different, despite expecting them to both be dictated by the same frictional force. To understanding the differences we would like to measure the dynamics of the lipid tail-tail correlations as a main source of friction comes from the lipid packing. As the signal is weak and purely coherent, we need LET with polarized neutron option.
DOI: 10.5286/isis.e.rb2010624-1
title: Dynamics of purely coherent tail-tail correlation in lipid bilayers

description: Lipid molecules are a basic building block for biological membranes. We have studied the collective membrane fluctuations by neutron spin echo and extracted bending and area compressibility moduli and membrane viscosity. The latter is one of two important parameters to characterize transport properties in membranes. The other important parameter, the molecular diffusion constant, was measured by us using neutron backscattering. Interestingly we observe that the temperature and molecular size dependence of the viscosity and diffusion constant are different, despite expecting them to both be dictated by the same frictional force. To understanding the differences we would like to measure the dynamics of the lipid tail-tail correlations as a main source of friction comes from the lipid packing. As the signal is weak and purely coherent, we need LET with polarized neutron option.
DOI: 10.5286/isis.e.rb2000228
title: Experimental evaluation of the reliability of Wide Band Gap semiconductor devices during Space Weather Events

description: Nowadays, electronic systems in avionics and automotive use new Wide Band Gap semiconductor Power Devices, mainly based on Silicon Carbide material. The hazard of device damages induced by neutrons due to the interaction of Terrestrial Cosmic Rays, which depend on the Space Weather conditions near earth, is a critical issue for the reliability of these devices. Usually, the neutrons effects on the Power Devices are investigated at room temperature. We propose to perform neutron tests of SiC and Si Power MOSFET’s at different temperatures, in the range -50 °C 200 °C.
DOI: 10.5286/isis.e.rb2000228-1
title: Experimental evaluation of the reliability of Wide Band Gap semiconductor devices during Space Weather Events

description: Nowadays, electronic systems in avionics and automotive use new Wide Band Gap semiconductor Power Devices, mainly based on Silicon Carbide material. The hazard of device damages induced by neutrons due to the interaction of Terrestrial Cosmic Rays, which depend on the Space Weather conditions near earth, is a critical issue for the reliability of these devices. Usually, the neutrons effects on the Power Devices are investigated at room temperature. We propose to perform neutron tests of SiC and Si Power MOSFET’s at different temperatures, in the range -50 °C 200 °C.
DOI: 10.5286/isis.e.rb2000188
title: Origin of ultra-low thermal conductivity in Ruddlesden Popper 2D Perovskite Cs2PbI2Cl2: An Inelastic Neutron Scattering Study

description: Crystalline solid with low thermal conductivity is crucial for high-performance thermoelectrics. Recently, we have demonstrated an intrinsically ultralow lattice thermal conductivity (κL) in 2D Ruddlesden−Popper (RP) perovskites Cs2PbI2Cl2. We have observed intrinsically ultralow κL of ∼0.37−0.28 W/mK in the 295−523 K temperature range when measured along the crystallographic c-axis. First-principles density functional theory analysis of the phonon spectrum exhibits low energy optical mode at ∼12 cm−1 (1.5 meV) that originates from dynamic octahedral rotation around Pb caused by anharmonic vibration of Cl atoms induced by a 3s2 lone pair. Inelastic Neutron Scattering (INS) data as a function of temperature will enable us to extract these low energy optical modes, their phonon lifetimes, etc. and help us to investigate the fundamental cause for the intrinsically ultralow κL in Cs2PbI2Cl2.
DOI: 10.5286/isis.e.rb2000188-1
title: Origin of ultra-low thermal conductivity in Ruddlesden Popper 2D Perovskite Cs2PbI2Cl2: An Inelastic Neutron Scattering Study

description: Crystalline solid with low thermal conductivity is crucial for high-performance thermoelectrics. Recently, we have demonstrated an intrinsically ultralow lattice thermal conductivity (κL) in 2D Ruddlesden−Popper (RP) perovskites Cs2PbI2Cl2. We have observed intrinsically ultralow κL of ∼0.37−0.28 W/mK in the 295−523 K temperature range when measured along the crystallographic c-axis. First-principles density functional theory analysis of the phonon spectrum exhibits low energy optical mode at ∼12 cm−1 (1.5 meV) that originates from dynamic octahedral rotation around Pb caused by anharmonic vibration of Cl atoms induced by a 3s2 lone pair. Inelastic Neutron Scattering (INS) data as a function of temperature will enable us to extract these low energy optical modes, their phonon lifetimes, etc. and help us to investigate the fundamental cause for the intrinsically ultralow κL in Cs2PbI2Cl2.
DOI: 10.5286/isis.e.rb2010135
title: Thermodynamic stability across concurrent structural, magnetic, and metal-insulator transition in h-NiS

description: With the proposed work, we aim to understand the role of the electron, spin, and lattice degrees of freedom (DOF) in h-NiS across the metal-insulator transition (MIT). One promising approach to decipher the contribution from various DOF is to calculate the thermodynamic stability of the metallic and insulating phases. This is done by calculating the phonon, electron, and spin entropy across MIT and determine the dominant contribution to the total entropy. Using inelastic neutron scattering (INS), we plan to measure phonon and magnon scattering intensity, and subsequently correct for background, multiphonon, and multiple scattering to obtain the phonon and magnon density of states (DOS). From measured DOS, we will calculate the phonon and magnon entropy contributions and combine with simulations of the electron entropy to determine the overall thermodynamic stability across the MIT.
DOI: 10.5286/isis.e.rb2010135-1
title: Thermodynamic stability across concurrent structural, magnetic, and metal-insulator transition in h-NiS

description: With the proposed work, we aim to understand the role of the electron, spin, and lattice degrees of freedom (DOF) in h-NiS across the metal-insulator transition (MIT). One promising approach to decipher the contribution from various DOF is to calculate the thermodynamic stability of the metallic and insulating phases. This is done by calculating the phonon, electron, and spin entropy across MIT and determine the dominant contribution to the total entropy. Using inelastic neutron scattering (INS), we plan to measure phonon and magnon scattering intensity, and subsequently correct for background, multiphonon, and multiple scattering to obtain the phonon and magnon density of states (DOS). From measured DOS, we will calculate the phonon and magnon entropy contributions and combine with simulations of the electron entropy to determine the overall thermodynamic stability across the MIT.
DOI: 10.5286/isis.e.rb1920024
title: Neutron Diffraction Studies of Metal-Organic Frameworks for Hydrocarbon Separations

description: The research of porous metal-organic frameworks (MOFs) is receiving considerable attention owing to their potential for gas adsorption and separation. In particular, separation of light hydrocarbons is a highly challenging and energy-intensive industrial process. We seek to develop highly robust MOF materials as efficient hydrocarbon separation systems and request 3 days on WISH to study the preferred binding sites of adsorbed hydrocarbon molecules (C2D2/C2D4/C2D6/C3D6/C3D8) within a recently developed MOF, MFM-520. This proposed study will investigate the precise locations of light hydrocarbon molecules, defining the preferred orientation of molecules with respect to the binding sites in MFM-520. MFM-520 exhibits exceptionally high separation capacity for C2H2/C2H4/C2H6 and C3H6/C3H8 at ambient conditions with fully repeatable cycles.
DOI: 10.17632/p87mx489ng.1
title: Data for: In vitro experimental study of the effect of adjusting the guide sleeve height and using a visual direction-indicating device on implantation accuracy

description: The excel file include the original result of each experimental subject in the study and the sequence of groups in each experimental round.
DOI: 10.5286/isis.e.rb2010317
title: Spin-liquid physics of CuIrO3 and ZnIrO3

description: We seek to explore the spin dynamics and the tentative spin-liquid phase in our newly discovered compounds ZnIrO3 and CuIrO3, which are chemical modification of beta-Li2IrO3 (frustrated Kitaev magnet). Our thermodynamic measurements reveal the absence of long-range magnetic ordering in both componds down to at least 1.8 K. Using muons as a powerful method for investigating frustrated systems, we want to to explore the ground state of ZnIrO3 and CuIrO3 and reveal details of spin dynamics in it or detect the coexistence of dynamic and static spins and quantify their ratio.
DOI: 10.17632/gxpbt9d557.1
title: Data for: I'd lie for you.

description: Data for "I'd Lie for You" experiment. See "ReadMe" file.
DOI: 10.5286/isis.e.rb2010317-1
title: Spin-liquid physics of CuIrO3 and ZnIrO3

description: We seek to explore the spin dynamics and the tentative spin-liquid phase in our newly discovered compounds ZnIrO3 and CuIrO3, which are chemical modification of beta-Li2IrO3 (frustrated Kitaev magnet). Our thermodynamic measurements reveal the absence of long-range magnetic ordering in both componds down to at least 1.8 K. Using muons as a powerful method for investigating frustrated systems, we want to to explore the ground state of ZnIrO3 and CuIrO3 and reveal details of spin dynamics in it or detect the coexistence of dynamic and static spins and quantify their ratio.
DOI: 10.5286/isis.e.rb1920410
title: SANS for Structure Study of Microfluidic Lipid Nanoparticles for Plasmid DNA Delivery

description: Using the newly developed approach for producing lipid nanoparticles (LNP) with and without DNA from a microfluidic setup, we propose to determine the detailed structures within the LNPs formed by an ionisable cationic lipid, helper lipid, cholesterol and a poly(ethylene glycol) (PEG) lipid, through a set of SANS runs under different isotopic contrasts. These DNA loaded LNPs mimic those reported in the literature as promising delivery vectors and work by collaborators in AstraZeneca have demonstrated their high transfection efficacy and low toxicity for different cell lines. Following our recent home lab characterisations, we seek to exploit the unique capability of SANS coupled with contrast variations to determine the inner structures of LNPs, thus relating the plasmid DNA transfection to the LNP inner structures tuned by different help lipids.
DOI: 10.5286/isis.e.rb1920410-1
title: SANS for Structure Study of Microfluidic Lipid Nanoparticles for Plasmid DNA Delivery

description: Using the newly developed approach for producing lipid nanoparticles (LNP) with and without DNA from a microfluidic setup, we propose to determine the detailed structures within the LNPs formed by an ionisable cationic lipid, helper lipid, cholesterol and a poly(ethylene glycol) (PEG) lipid, through a set of SANS runs under different isotopic contrasts. These DNA loaded LNPs mimic those reported in the literature as promising delivery vectors and work by collaborators in AstraZeneca have demonstrated their high transfection efficacy and low toxicity for different cell lines. Following our recent home lab characterisations, we seek to exploit the unique capability of SANS coupled with contrast variations to determine the inner structures of LNPs, thus relating the plasmid DNA transfection to the LNP inner structures tuned by different help lipids.
DOI: 10.5286/isis.e.rb1920410-2
title: SANS for Structure Study of Microfluidic Lipid Nanoparticles for Plasmid DNA Delivery

description: Using the newly developed approach for producing lipid nanoparticles (LNP) with and without DNA from a microfluidic setup, we propose to determine the detailed structures within the LNPs formed by an ionisable cationic lipid, helper lipid, cholesterol and a poly(ethylene glycol) (PEG) lipid, through a set of SANS runs under different isotopic contrasts. These DNA loaded LNPs mimic those reported in the literature as promising delivery vectors and work by collaborators in AstraZeneca have demonstrated their high transfection efficacy and low toxicity for different cell lines. Following our recent home lab characterisations, we seek to exploit the unique capability of SANS coupled with contrast variations to determine the inner structures of LNPs, thus relating the plasmid DNA transfection to the LNP inner structures tuned by different help lipids.
DOI: 10.5286/isis.e.rb1920526
title: Spin Excitations within Valence Delocalised Molecular Magnets

description: Molecular magnets are finite clusters of metal ions distributed within a crystalline lattice such that their magnetic properties persist at the nanoscale. Over the last decades such systems have represented ideal test beds to investigate the collective behaviour of unpaired electrons using inelastic neutron scattering. These studies have been performed on molecules where the unpaired electrons are localised on the cluster metal ion orbitals. Here we propose to investigate a class of molecules where electrons become mobile within the molecule resulting in a ferromagnetic interaction between electron spins, known as double exchange. Our objective is to directly measure double exchange dynamics within a molecule using INS. We will use these results to test theoretical models and to develop understanding how such molecules could be applied in molecular spintronic devices.
DOI: 10.17632/x52z543r27.1
title: Data for: Accounting for labor gaps

description: Data, Dynare and MatLab codes to replicate the main results of the paper.
DOI: 10.5286/isis.e.rb1920526-1
title: Spin Excitations within Valence Delocalised Molecular Magnets

description: Molecular magnets are finite clusters of metal ions distributed within a crystalline lattice such that their magnetic properties persist at the nanoscale. Over the last decades such systems have represented ideal test beds to investigate the collective behaviour of unpaired electrons using inelastic neutron scattering. These studies have been performed on molecules where the unpaired electrons are localised on the cluster metal ion orbitals. Here we propose to investigate a class of molecules where electrons become mobile within the molecule resulting in a ferromagnetic interaction between electron spins, known as double exchange. Our objective is to directly measure double exchange dynamics within a molecule using INS. We will use these results to test theoretical models and to develop understanding how such molecules could be applied in molecular spintronic devices.
DOI: 10.5286/isis.e.rb2010456
title: Crystal electric fields and the anomalous high-temperature phase transition in Ce2Rh2Ga

description: Compounds of the element Cerium occupy a special place in contemporary condensed matter physics. These materials have become known for a unconventional magnetism and superconductivity, as well as new phases of matter at very low temperatures. The subject of this proposal, Ce2Rh2Ga, has a phase transition at 130 K which is extraordinary for a cerium compound. Sharp anomalies are found in the temperature dependence of physical properties probed thus far including magnetic susceptibility, electrical and thermal transport, and specific heat. In agreement with magnetic susceptibility data, Ga-NQR data support an interpretation in terms of a magnetic phase transition which would make this the highest recorded magnetic phase transition among all cerium compounds. This proposal is to map the crystal electric field landscape in Ce2Rh2Ga and to understand the origin of its unusual ordering.