cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010456-1
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.
DOI: 10.5286/isis.e.rb2000216
title: On the labyrinthine crystal chemistry of meyerhofferite, Ca2B6O6(OH)10•2H2O

description: Natural borates represent the most important source of boron: in 2017, the world production accounted for about 9.8 millions of tons. Natural borates are also being used for the production of radiation-shielding concretes, because of the elevated ability of 10B to absorb thermal neutrons. However, the most used natural borates (i.e., borax) have proved to induce a drastic effect on setting and hardening, coupled with a lowering of durability of concretes (due to the high Na-content). We are investigating the chemical stability and high-T/high-P crystal-chemistry of meyerhofferite (Ca2B6O6(OH)10•2H2O), which contains 46.7 wt% B2O3 and 28 wt% H2O, with a multi-methodological approach: a SC neutron diffraction experiment is necessary to obtain a full structural model of meyerhofferite, with an unambiguous location of all the H sites and the description of the complex H-bonding network
DOI: 10.5286/isis.e.rb2000216-1
title: On the labyrinthine crystal chemistry of meyerhofferite, Ca2B6O6(OH)10•2H2O

description: Natural borates represent the most important source of boron: in 2017, the world production accounted for about 9.8 millions of tons. Natural borates are also being used for the production of radiation-shielding concretes, because of the elevated ability of 10B to absorb thermal neutrons. However, the most used natural borates (i.e., borax) have proved to induce a drastic effect on setting and hardening, coupled with a lowering of durability of concretes (due to the high Na-content). We are investigating the chemical stability and high-T/high-P crystal-chemistry of meyerhofferite (Ca2B6O6(OH)10•2H2O), which contains 46.7 wt% B2O3 and 28 wt% H2O, with a multi-methodological approach: a SC neutron diffraction experiment is necessary to obtain a full structural model of meyerhofferite, with an unambiguous location of all the H sites and the description of the complex H-bonding network
DOI: 10.5286/isis.e.rb2070010
title: Novel quantum spin liquid state in Ba3ZnRu2O9

description: We have discovered a novel type of quantum spin liquid in Ba3ZnRu2O9, which has a hexagonal lattice of Ru5+ dimers. In the temperature (T) dependence of the magnetic susceptibility (χ) of Ba3ZnRu2O9, any traces of the Curie tail or glassy behavior have not been detected down to 50 mK. We have studied the magnetic behavior of the Nb-doped system Ba3Zn(Ru1-yNby)2O9, where the Nb5+ (4d)0 is non-magnetic ion and disturbs the formation of the Ru5+ dimer. The χ – T curves of the Nb-doped system also shows no trace of the Curie tail at low temperatures, indicating that the local Ru5+-spin induced by the Nb-doping does not act like a free spin. The spin liquid state of Ba3ZnRu2O9 is found to be robust by impurity doping. In order to study the magnetic dynamics at low temperature, we plan ZF-μSR and LF-μSR measurements of three samples Ba3Zn(Ru1-yNby)2O9 (y = 0, 0.06, and 0.12) down to 50 mK.
DOI: 10.17632/3w92wvvg4b.1
title: Data for: Liquidity Requirements and the Interbank Loan Market: An Experimental Investigation

description: This file contains the experimental data reported in "Liquidity Requirements and the Interbank Loan Market" An Experimental Investigation" by Douglas Davis, Oleg Korenok, John Lightle and Edward S. Prescott. The EXCEL file consists of three pages. One page contains observations aggregated at the market level, a second page contains individual observations. The third page lists and explains the variable names used on the market and individual data pages.
DOI: 10.5286/isis.e.rb2070010-1
title: Novel quantum spin liquid state in Ba3ZnRu2O9

description: We have discovered a novel type of quantum spin liquid in Ba3ZnRu2O9, which has a hexagonal lattice of Ru5+ dimers. In the temperature (T) dependence of the magnetic susceptibility (χ) of Ba3ZnRu2O9, any traces of the Curie tail or glassy behavior have not been detected down to 50 mK. We have studied the magnetic behavior of the Nb-doped system Ba3Zn(Ru1-yNby)2O9, where the Nb5+ (4d)0 is non-magnetic ion and disturbs the formation of the Ru5+ dimer. The χ – T curves of the Nb-doped system also shows no trace of the Curie tail at low temperatures, indicating that the local Ru5+-spin induced by the Nb-doping does not act like a free spin. The spin liquid state of Ba3ZnRu2O9 is found to be robust by impurity doping. In order to study the magnetic dynamics at low temperature, we plan ZF-μSR and LF-μSR measurements of three samples Ba3Zn(Ru1-yNby)2O9 (y = 0, 0.06, and 0.12) down to 50 mK.
DOI: 10.5286/isis.e.rb2000196
title: Small-angle neutron scattering of antimicrobial peptides

description: The increase prevalence of multi-antibiotic resistant pathogens has been listed by the World Health Organisation (WHO) as one of the biggest threats to modern day healthcare and food security. As antibiotics become less effective, it is important to drive the development actives against multi-drug resistant organisms. Antimicrobial peptides (AMPs) are an attractive alternative, as they can target a range of microbes, are fast acting, and have a multi-hit strategy which decreases the chances of microbes developing resistance. We plan to do this with a SANS experiment to examine four short AMPs which have bactericidal effect of pseudomonas aeruginosa, with different bilayers based on different phases of the bacterial life-cycle, to understand the mechanisms of antimicrobial activity on the membrane, by the use of different contrasts to observe changes in peptide and lipid composition.
DOI: 10.5286/isis.e.rb2000196-1
title: Small-angle neutron scattering of antimicrobial peptides

description: The increase prevalence of multi-antibiotic resistant pathogens has been listed by the World Health Organisation (WHO) as one of the biggest threats to modern day healthcare and food security. As antibiotics become less effective, it is important to drive the development actives against multi-drug resistant organisms. Antimicrobial peptides (AMPs) are an attractive alternative, as they can target a range of microbes, are fast acting, and have a multi-hit strategy which decreases the chances of microbes developing resistance. We plan to do this with a SANS experiment to examine four short AMPs which have bactericidal effect of pseudomonas aeruginosa, with different bilayers based on different phases of the bacterial life-cycle, to understand the mechanisms of antimicrobial activity on the membrane, by the use of different contrasts to observe changes in peptide and lipid composition.
DOI: 10.5286/isis.e.rb2000196-2
title: Small-angle neutron scattering of antimicrobial peptides

description: The increase prevalence of multi-antibiotic resistant pathogens has been listed by the World Health Organisation (WHO) as one of the biggest threats to modern day healthcare and food security. As antibiotics become less effective, it is important to drive the development actives against multi-drug resistant organisms. Antimicrobial peptides (AMPs) are an attractive alternative, as they can target a range of microbes, are fast acting, and have a multi-hit strategy which decreases the chances of microbes developing resistance. We plan to do this with a SANS experiment to examine four short AMPs which have bactericidal effect of pseudomonas aeruginosa, with different bilayers based on different phases of the bacterial life-cycle, to understand the mechanisms of antimicrobial activity on the membrane, by the use of different contrasts to observe changes in peptide and lipid composition.
DOI: 10.5286/isis.e.rb2010032
title: Characterisation of lithium copper hydrides - SANDALS

description: “Simple” copper hydrides are very scarce. The only known systems are: (i) CuH, (ii) Ba7Cu3H17 (which contains [CuH4]3– and H– ions), (iii) Zr2CuD~5 (limiting composition: 2Zr2+ [Cu+D3]2– 2D–) and (iv) LixCuyH(x+y) ( known for (x,y) = (1,1), (2,1), (3,1), (4,1), (5,1), (1,2), (2,3)). The aim of this proposal (and a related one for TOSCA) is to understand how the hydrogen is present in the materials. The first peak in the radial distribution function will be the Cu–H(D) distance, by using both the protonated and deuterated compounds, we can unambiguously show that this is the case. Only with neutron total scattering is this possible. By comparison with Ba7Cu3H17 and Zr2CuH~5, the bond length should show whether the hydride is interstitial, terminal, two-, three-or fourfold bridging.
DOI: 10.5286/isis.e.rb2010032-1
title: Characterisation of lithium copper hydrides - SANDALS

description: “Simple” copper hydrides are very scarce. The only known systems are: (i) CuH, (ii) Ba7Cu3H17 (which contains [CuH4]3– and H– ions), (iii) Zr2CuD~5 (limiting composition: 2Zr2+ [Cu+D3]2– 2D–) and (iv) LixCuyH(x+y) ( known for (x,y) = (1,1), (2,1), (3,1), (4,1), (5,1), (1,2), (2,3)). The aim of this proposal (and a related one for TOSCA) is to understand how the hydrogen is present in the materials. The first peak in the radial distribution function will be the Cu–H(D) distance, by using both the protonated and deuterated compounds, we can unambiguously show that this is the case. Only with neutron total scattering is this possible. By comparison with Ba7Cu3H17 and Zr2CuH~5, the bond length should show whether the hydride is interstitial, terminal, two-, three-or fourfold bridging.
DOI: 10.5286/isis.e.rb1969005-2
title: Mesoscale structure of nanoparticles in attractive polymer nanocomposites

description: Dispersing nanoparticles (NPs) into polymers results in unexpected and remarkable changes in macroscopic properties of the resulting composites (PNCs). The properties of PNCs are primarily controlled by the polymer-NP interaction that also determines the NP dispersion state. Repulsive or neutral polymer-NP interaction often leads to phase-separated or self-assembled superstructures and their percolation within the soft matrix dominates the mechanical reinforcement. Favourable polymer-NP interaction facilitates polymer adsorption on NP surfaces and, in most cases, results in good dispersion of bare particles in polymers. However, the detailed mechanism is not well-understood.We believe that a combination of SANS and SESANS can yield significant information on these structures over ~5 orders of magnitude. Our goal ss to unravel such ‘hidden network’ of particles by SANS and SESANS.
DOI: 10.5286/isis.e.rb1969005-3
title: Mesoscale structure of nanoparticles in attractive polymer nanocomposites

description: Dispersing nanoparticles (NPs) into polymers results in unexpected and remarkable changes in macroscopic properties of the resulting composites (PNCs). The properties of PNCs are primarily controlled by the polymer-NP interaction that also determines the NP dispersion state. Repulsive or neutral polymer-NP interaction often leads to phase-separated or self-assembled superstructures and their percolation within the soft matrix dominates the mechanical reinforcement. Favourable polymer-NP interaction facilitates polymer adsorption on NP surfaces and, in most cases, results in good dispersion of bare particles in polymers. However, the detailed mechanism is not well-understood.We believe that a combination of SANS and SESANS can yield significant information on these structures over ~5 orders of magnitude. Our goal ss to unravel such ‘hidden network’ of particles by SANS and SESANS.
DOI: 10.5286/isis.e.rb2000179
title: POLARIS Instrument Development Rapid Access Proposal: Developing in-situ methods to study Equilibrium-Busting Chemical Looping reactors

description: We have recently reported the first thermodynamically reversible chemical reactor – the memory reactor – which allows one to perform reversible chemical reactions beyond the normal limits imposed by chemical equilibrium. In one application the reactor can produce pure streams of H2 from the water gas shift reaction. The reactor performance relies on a gradual change in oxygen content of an oxygen carrier material (OCM), for which we use a non-stoichiometric perovskite whose composition can vary between ABO3 and ABO2.75 as the reactor operates. We request time on POLARIS to develop flow cell apparatus which will allow structural studies on a functioning reactor allowing us to understand and optimise materials under real operating conditions. Instrumental and sample cell development time using previously characterised samples is necessary to inform the design of future experiments.
DOI: 10.5286/isis.e.rb2000179-1
title: POLARIS Instrument Development Rapid Access Proposal: Developing in-situ methods to study Equilibrium-Busting Chemical Looping reactors

description: We have recently reported the first thermodynamically reversible chemical reactor – the memory reactor – which allows one to perform reversible chemical reactions beyond the normal limits imposed by chemical equilibrium. In one application the reactor can produce pure streams of H2 from the water gas shift reaction. The reactor performance relies on a gradual change in oxygen content of an oxygen carrier material (OCM), for which we use a non-stoichiometric perovskite whose composition can vary between ABO3 and ABO2.75 as the reactor operates. We request time on POLARIS to develop flow cell apparatus which will allow structural studies on a functioning reactor allowing us to understand and optimise materials under real operating conditions. Instrumental and sample cell development time using previously characterised samples is necessary to inform the design of future experiments.
DOI: 10.5286/isis.e.rb2010713
title: Deep Eutectic Solvents at Interfaces

description: Deep eutectic solvents (DES) are mixtures of organic salts and hydrogen bond donors that form strongly hydrogen-bonded room temperature liquids. DES share many features with ionic liquids (i.e. tunable physicochemical properties), making them viable green solvents. Recent studies have shown they can be used as solvents for organometallic synthesis, templating of metal oxide nanoparticles and as electrodeposition solvents. All of these involve DES interactions with interfaces. AFM studies have indicated structuring of choline chloride based DES at metal electrodes. We wish to probe the molecular details of DES structures at metal interfaces using specular neutron reflectivity to determine structure-property relationships in order to understand electrodeposition characteristics and nanoparticle synthesis to facilitate rational exploitation of DES in these applications.
DOI: 10.17632/53tcx3zhtj.1
title: Data for: Convergence of European natural gas prices

description: Data for "Convergence of European natural gas prices"
DOI: 10.5286/isis.e.rb2010713-1
title: Deep Eutectic Solvents at Interfaces

description: Deep eutectic solvents (DES) are mixtures of organic salts and hydrogen bond donors that form strongly hydrogen-bonded room temperature liquids. DES share many features with ionic liquids (i.e. tunable physicochemical properties), making them viable green solvents. Recent studies have shown they can be used as solvents for organometallic synthesis, templating of metal oxide nanoparticles and as electrodeposition solvents. All of these involve DES interactions with interfaces. AFM studies have indicated structuring of choline chloride based DES at metal electrodes. We wish to probe the molecular details of DES structures at metal interfaces using specular neutron reflectivity to determine structure-property relationships in order to understand electrodeposition characteristics and nanoparticle synthesis to facilitate rational exploitation of DES in these applications.
DOI: 10.5286/isis.e.rb2010339
title: Mobility of H2 adsorbed in multilayers in sol-gel method TiC derived carbon

description: H2 is a promising and clean fuel source since the oxidation of H2 produces no pollutants. One method for storing H2 for transportational purposes is physical adsorption on a porous carbon material. In our previous quasi-elastic neutron scattering (QENS) study we discovered that when H2 loading pressures were high, a faster diffusional movement appeared due to the more mobile additional H2 layers. Analysis of these motions would provide essential information about transport properties of a porous carbon material in practical applications, where high pressures are applied. Thus, we propose to conduct a QENS measurement on IRIS or OSIRIS spectrometers to study the mobility of H2 adsorbed in multilayers in carbide derived carbon, which has been successfully used in supercapacitors and is a highly perspective material for gas storage applications.
DOI: 10.5286/isis.e.rb2010339-1
title: Mobility of H2 adsorbed in multilayers in sol-gel method TiC derived carbon

description: H2 is a promising and clean fuel source since the oxidation of H2 produces no pollutants. One method for storing H2 for transportational purposes is physical adsorption on a porous carbon material. In our previous quasi-elastic neutron scattering (QENS) study we discovered that when H2 loading pressures were high, a faster diffusional movement appeared due to the more mobile additional H2 layers. Analysis of these motions would provide essential information about transport properties of a porous carbon material in practical applications, where high pressures are applied. Thus, we propose to conduct a QENS measurement on IRIS or OSIRIS spectrometers to study the mobility of H2 adsorbed in multilayers in carbide derived carbon, which has been successfully used in supercapacitors and is a highly perspective material for gas storage applications.
DOI: 10.5286/isis.e.rb2070018
title: Doped-Hole Dependence on Spin Dynamics in Magnetically Ordered States of (Nd1-xCax)2Ru2O7 Studied by LF-muSR

description: We proposed to investigate (Nd1-xCax)2Ru2O7 system by using LF-muSR. From previous beam time, we obtained that there is fluctuating internal field at the muon site and the spin dynamics still remain around 30 K for x=0 sample showed by the dip in temperature dependence of relaxation rate which doesn't occur in the x = 0.3 sample. This change indicates that the spin dynamics would be affected by the hole doping. Recently the spin-phonon coupling behavior is discussed in some pyrochlore systems and we expect this effect might be occur in our system. We are going to repeat the LF dependence measurement of relaxation rate around 30 K and obtain changes in the fluctuation frequency of the internal field. We plan to measure the same sequence on x=0.15, 0.30 and 0.40 in order to see changes in TN and the anomaly at 30 K against the hole concentration. We request 5 days beam for this proposal.
DOI: 10.17632/mxwyystgfv.2
title: Data for: Correlation between asymptomatic excessive transmural injury after pulmonary vein isolation and a bonus freeze protocol using the second-generation 28 mm cryoballoon for paroxysmal atrial fibrillation

description: Final data
DOI: 10.5286/isis.e.rb2070018-1
title: Doped-Hole Dependence on Spin Dynamics in Magnetically Ordered States of (Nd1-xCax)2Ru2O7 Studied by LF-muSR

description: We proposed to investigate (Nd1-xCax)2Ru2O7 system by using LF-muSR. From previous beam time, we obtained that there is fluctuating internal field at the muon site and the spin dynamics still remain around 30 K for x=0 sample showed by the dip in temperature dependence of relaxation rate which doesn't occur in the x = 0.3 sample. This change indicates that the spin dynamics would be affected by the hole doping. Recently the spin-phonon coupling behavior is discussed in some pyrochlore systems and we expect this effect might be occur in our system. We are going to repeat the LF dependence measurement of relaxation rate around 30 K and obtain changes in the fluctuation frequency of the internal field. We plan to measure the same sequence on x=0.15, 0.30 and 0.40 in order to see changes in TN and the anomaly at 30 K against the hole concentration. We request 5 days beam for this proposal.
DOI: 10.5286/isis.e.rb2000244
title: [NCNR/NIST] Mn-uniformity in Intrinsically Magnetic Topological Insulator Superlattices

description: In order to realize quantum-mechanical electrical properties at high-temperature in industrially scalable systems, it is highly desirable that we should identify materials which posses the targeted behaviors intrinsically. MnBi2Te4 (MBT) is the lone example of an instrinsically antiferromagnetically ordered topological insulator which can realize the quantum anomalous hall effect without doping or other chemical/structural modification. However, the experimentally reported behavior in MBT single crystals and thin films varies widely, and is thought to relate to Mn-deficiency. Here, we systematically examine the role of Mn content and mobility through the growth of MBT/MnTe superlattices of varying MnTe thickness. We propose to use neutron reflectometry to probe interface roughness and Mn-migration in these superlattices.
DOI: 10.5286/isis.e.rb2000244-1
title: [NCNR/NIST] Mn-uniformity in Intrinsically Magnetic Topological Insulator Superlattices

description: In order to realize quantum-mechanical electrical properties at high-temperature in industrially scalable systems, it is highly desirable that we should identify materials which posses the targeted behaviors intrinsically. MnBi2Te4 (MBT) is the lone example of an instrinsically antiferromagnetically ordered topological insulator which can realize the quantum anomalous hall effect without doping or other chemical/structural modification. However, the experimentally reported behavior in MBT single crystals and thin films varies widely, and is thought to relate to Mn-deficiency. Here, we systematically examine the role of Mn content and mobility through the growth of MBT/MnTe superlattices of varying MnTe thickness. We propose to use neutron reflectometry to probe interface roughness and Mn-migration in these superlattices.
DOI: 10.5286/isis.e.rb1820012-4
title: Uranium minerals related to geochemical storage of spent nuclear fuels: a powder neutron diffraction study

description: The safe storage of spent nuclear fuels is a complex challenge that belies a simple solution. The biggest scientific challenge is that storage must be over long periods of time, and knowledge of how the complex and interlinked chemistry changes is important to build robust safety cases for underground storage. One important uranium compound is studtite, [UO2(O2)(H2O)2].2H2O which dehydrates to metastudtite [UO2(O2)(H2O)2]. There are subtle structural changes that may impact on the chemical behaviour. In this project we aim to look at the dehydration using powder neutron diffraction to precisely locate the light atoms (oxygen and hydrogen) and explore these structural effects.