cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1920129
title: How Encapsulated is a Sodide? Li+Na--EtNH2 vs Li+e--EtNH2

description: We have recently begun to look at how large, polarisable alkalides (group 1 metal anions) are solvated in solution. This proposal aims to determine how ethylamine is able to cosolvate a sodide in the presence of lithium, and determine whether there is a long-range liquid structure as found in the case of methylamine. We will directly compare this with the analogous solvated electron system, using a combination of neutron scattering, ab initio molecular dynamics and empirical potential structure refinement.
DOI: 10.5286/isis.e.rb1920129-1
title: How Encapsulated is a Sodide? Li+Na--EtNH2 vs Li+e--EtNH2

description: We have recently begun to look at how large, polarisable alkalides (group 1 metal anions) are solvated in solution. This proposal aims to determine how ethylamine is able to cosolvate a sodide in the presence of lithium, and determine whether there is a long-range liquid structure as found in the case of methylamine. We will directly compare this with the analogous solvated electron system, using a combination of neutron scattering, ab initio molecular dynamics and empirical potential structure refinement.
DOI: 10.5286/isis.e.rb1920199
title: Multistage magnetic transitions in the coupled trimer system Ba4NbMn3O12

description: During the past decades, weakly coupled spin cluster systems have attracted much attention due to the possibility of observing concomitantly zero-dimensional quantum and three-dimensional collective magnetism. In such systems, there is an energy hierarchy of low-lying magnetic excitations between transverse and longitudinal magnon modes and localized excitations. The recently discovered hexagonal perovskite Ba4NbMn3O12 provides an ideal platform to address a crossover of molecular magnetism to collective behavior as its magnetic building block is Mn3O12 trimers. Ba4NbMn3O12 exhibits a long-range magnetic ordering at Tc=42K with a small value of Curie-Weiss temperature Tcw=-4K. In this project, we aim at comprehensive muSR studies to elucidate a multistage symmetry breaking process arising from the energy hierarchy of exchange interactions in the coupled spin trimer compound Ba4NbMn3O12.
DOI: 10.5286/isis.e.rb1920199-1
title: Multistage magnetic transitions in the coupled trimer system Ba4NbMn3O12

description: During the past decades, weakly coupled spin cluster systems have attracted much attention due to the possibility of observing concomitantly zero-dimensional quantum and three-dimensional collective magnetism. In such systems, there is an energy hierarchy of low-lying magnetic excitations between transverse and longitudinal magnon modes and localized excitations. The recently discovered hexagonal perovskite Ba4NbMn3O12 provides an ideal platform to address a crossover of molecular magnetism to collective behavior as its magnetic building block is Mn3O12 trimers. Ba4NbMn3O12 exhibits a long-range magnetic ordering at Tc=42K with a small value of Curie-Weiss temperature Tcw=-4K. In this project, we aim at comprehensive muSR studies to elucidate a multistage symmetry breaking process arising from the energy hierarchy of exchange interactions in the coupled spin trimer compound Ba4NbMn3O12.
DOI: 10.5286/isis.e.rb1920443
title: Developing decontamination technologies through studying diffusion in zeolite adsorbents

description: To aid the design and optimisation of cost-effective decontamination technologies used to remove toxic compounds from ground water in Ghana, the diffusion of water in zeolite molecular sieve candidates (zeolite A) synthesised in an economical manner from local clay minerals will be studied using quasielastic neutron scattering. Each zeolite sample, synthesised cheaply from Ghanaian kaolin and bauxite, will contain a different counterion (Ca2+, K+. Na+) which is expected to interact at different strengths with both water, and the potential contaminants (arsenic compounds, organonitriles). A comparison of diffusion rates and mechanisms in these potential zeolite candidates will not only provide insight into crucial sorbate-framework interactions in the design of decontamination technologies, but form the basis for future studies into the behaviour of the pollutants in these materials.
DOI: 10.5286/isis.e.rb1920443-1
title: Developing decontamination technologies through studying diffusion in zeolite adsorbents

description: To aid the design and optimisation of cost-effective decontamination technologies used to remove toxic compounds from ground water in Ghana, the diffusion of water in zeolite molecular sieve candidates (zeolite A) synthesised in an economical manner from local clay minerals will be studied using quasielastic neutron scattering. Each zeolite sample, synthesised cheaply from Ghanaian kaolin and bauxite, will contain a different counterion (Ca2+, K+. Na+) which is expected to interact at different strengths with both water, and the potential contaminants (arsenic compounds, organonitriles). A comparison of diffusion rates and mechanisms in these potential zeolite candidates will not only provide insight into crucial sorbate-framework interactions in the design of decontamination technologies, but form the basis for future studies into the behaviour of the pollutants in these materials.
DOI: 10.5286/isis.e.rb1920589
title: Quantification of Brønsted acid site densities in zeolites: an INS investigation

description: As part of an on-going industrial/academic collaboration in to the application of neutron spectroscopy to probe commercially relevant zeolites, this proposal seeks to use the MAPS spectrometer to speciate and quantify the Brønsted acid site distribution of two samples of ZSM-5 and one reference zeolite (silicalite-1). Whereas IR spectroscopy has for many years played a significant role in identifying acid site distributions in zeolitic catalysts, it cannot be reliably used to quantify these sites. Previous work by the applicants has exploited the quantitative nature of INS to determine hydrogen retention in Fe and Ni based catalysts; it is opportune to apply such technologies to add further colour and impact to the current programme on ZSM-5 catalysts.
DOI: 10.5286/isis.e.rb1920589-1
title: Quantification of Brønsted acid site densities in zeolites: an INS investigation

description: As part of an on-going industrial/academic collaboration in to the application of neutron spectroscopy to probe commercially relevant zeolites, this proposal seeks to use the MAPS spectrometer to speciate and quantify the Brønsted acid site distribution of two samples of ZSM-5 and one reference zeolite (silicalite-1). Whereas IR spectroscopy has for many years played a significant role in identifying acid site distributions in zeolitic catalysts, it cannot be reliably used to quantify these sites. Previous work by the applicants has exploited the quantitative nature of INS to determine hydrogen retention in Fe and Ni based catalysts; it is opportune to apply such technologies to add further colour and impact to the current programme on ZSM-5 catalysts.
DOI: 10.5281/zenodo.3359054
title: Island biogeography Amsterdam city parks

description: City ecologists aim to make the urban ecosystem more biodiverse. Many plants can be found in city parks. Therefore it is important to know how biodiversity in those city parks is correlated to the park' characteristics.
DOI: 10.5281/zenodo.3359055
title: Island biogeography Amsterdam city parks

description: City ecologists aim to make the urban ecosystem more biodiverse. Many plants can be found in city parks. Therefore it is important to know how biodiversity in those city parks is correlated to the park' characteristics.
DOI: 10.5286/isis.e.rb1910328
title: Evolution of interlayer water to form gel-like layers in graphene oxide

description: Graphene oxide is a heavily functionalised form of grapheme that is dispersible in water and other solvents. As water is added to pristine graphene oxide there is formation interlayer water which gradually expands to form a gel-like layer and, as more water is added a more dilute dispersion. We have studied the changes in water structure around graphene oxide nanoparticles and in this proposal we aim to look at the changes in the small angle part of the neutron scattering pattern as graphene oxide is progressively hydrated. Neutron scattering is the only technique that enables the unequivocal determination of the changing role of hydrogen as these materials evolve and the understanding gained from this experiment will be used to optimise the formation and structure of these important liquids and characterise the novel liquid crystal phases that can form at high concentrations.
DOI: 10.5286/isis.e.rb1910371-1
title: GISANS directed to study lipid bilayer structures on nanowire arrays

description: Nanowires are increasingly being used in life science to interact with living cells, for example as nanometer probes. The interaction between the cell membrane, i.e. a lipid bilayer, and the nanowires is not fully understood. In this proposal we will study the structure of the lipid bilayer with time-of-flight (TOF) grazing incident small angle neutron scattering (GISANS). We will also use the lipid bilayer on nanowires as curved model membrane and anchor membrane proteins in the bilayer. This is done to study the how the membrane proteins are affected by the curvature of the lipid bilayer.
DOI: 10.5286/isis.e.rb1920091
title: Inelastic neutron scattering to investigate the crystal electronic field of NaReSe2 (Re: Lu, Er, and Tm)

description: The frustrated quantum magnets could host exotic quantum spin states and have attracted a lot of attention in the past decades. In the system, the degenerate ground states were induced by the competition between the interacting energies and geometrical properties of the crystal lattice at a specific given site. The quantum spin liquid(QSL) state is a kind of frustrated quantum magnets and the spins cannot find a stable/exclusive ordering state, and the magnetic order does not show even in the zero-temperature limit. It has been believed that QSLs have a prominent role in high-TC superconductors theory and in quantum computers. NaYbCh2 (Ch=O, S, Se) is a perfect QSL candidate with a hexagonal structure, R-3m. The Se-compound has larger distortion and small electronic band gap, and we propose to study the crystal electronic field to confirm the Se-effect on the local information.
DOI: 10.5286/isis.e.rb1920091-1
title: Inelastic neutron scattering to investigate the crystal electronic field of NaReSe2 (Re: Lu, Er, and Tm)

description: The frustrated quantum magnets could host exotic quantum spin states and have attracted a lot of attention in the past decades. In the system, the degenerate ground states were induced by the competition between the interacting energies and geometrical properties of the crystal lattice at a specific given site. The quantum spin liquid(QSL) state is a kind of frustrated quantum magnets and the spins cannot find a stable/exclusive ordering state, and the magnetic order does not show even in the zero-temperature limit. It has been believed that QSLs have a prominent role in high-TC superconductors theory and in quantum computers. NaYbCh2 (Ch=O, S, Se) is a perfect QSL candidate with a hexagonal structure, R-3m. The Se-compound has larger distortion and small electronic band gap, and we propose to study the crystal electronic field to confirm the Se-effect on the local information.
DOI: 10.5286/isis.e.rb1920566
title: Order/disorder and phase transitions in the OLED material Alq3

description: We propose to measure the pair distribution function of the organic light emitting material Alq3 focussing on the structure of one disordered crystalline phase and its transition to an ordered state. The dsorder involves two isomers of the Alq3 cluster. The measurements will be analysed using the Reverse Monte Carlo method, with the aim to obtain structural information on the disorder.
DOI: 10.5286/isis.e.rb1920566-1
title: Order/disorder and phase transitions in the OLED material Alq3

description: We propose to measure the pair distribution function of the organic light emitting material Alq3 focussing on the structure of one disordered crystalline phase and its transition to an ordered state. The dsorder involves two isomers of the Alq3 cluster. The measurements will be analysed using the Reverse Monte Carlo method, with the aim to obtain structural information on the disorder.
DOI: 10.5286/isis.e.rb1910328-1
title: Evolution of interlayer water to form gel-like layers in graphene oxide

description: Graphene oxide is a heavily functionalised form of grapheme that is dispersible in water and other solvents. As water is added to pristine graphene oxide there is formation interlayer water which gradually expands to form a gel-like layer and, as more water is added a more dilute dispersion. We have studied the changes in water structure around graphene oxide nanoparticles and in this proposal we aim to look at the changes in the small angle part of the neutron scattering pattern as graphene oxide is progressively hydrated. Neutron scattering is the only technique that enables the unequivocal determination of the changing role of hydrogen as these materials evolve and the understanding gained from this experiment will be used to optimise the formation and structure of these important liquids and characterise the novel liquid crystal phases that can form at high concentrations.
DOI: 10.5286/isis.e.rb1920075
title: Origin of ferroelectric order in multiferroic RFe2O4

description: The series of spinel ferrites, RFe2O4 has attracted the community for the similar structural and physical properties of magnetite (Fe3O4). Analogous to Fe3O4, NiFe2O4 recently shows the ferroelectric order around ~ 98 K. Although a possible ordered occupancy of Ni2+ and Fe3+ atoms at the octahedral sites of the P4122 structure has been correlated to the ferroelectricity, the possible modulation of the magnetic structure still remains unexplored. Our recent measurements also confirm a ferroelectric order around 40 K for CuFe2O4 system, where we also observe a sharp change in magnetization, indicating a strong magnetoelectric coupling. Our interest is to understand the possible origin of ferroelectric order by investigating the exchange interactions in CuFe2O4. We therefore propose here to investigate temperature dependence of spin wave excitations using neutron inelastic scattering.
DOI: 10.5286/isis.e.rb1920075-1
title: Origin of ferroelectric order in multiferroic RFe2O4

description: The series of spinel ferrites, RFe2O4 has attracted the community for the similar structural and physical properties of magnetite (Fe3O4). Analogous to Fe3O4, NiFe2O4 recently shows the ferroelectric order around ~ 98 K. Although a possible ordered occupancy of Ni2+ and Fe3+ atoms at the octahedral sites of the P4122 structure has been correlated to the ferroelectricity, the possible modulation of the magnetic structure still remains unexplored. Our recent measurements also confirm a ferroelectric order around 40 K for CuFe2O4 system, where we also observe a sharp change in magnetization, indicating a strong magnetoelectric coupling. Our interest is to understand the possible origin of ferroelectric order by investigating the exchange interactions in CuFe2O4. We therefore propose here to investigate temperature dependence of spin wave excitations using neutron inelastic scattering.
DOI: 10.5286/isis.e.rb1920260
title: Zr-based metal-organic frameworks as carbon-free energy carriers: a study of the interactions between stored ammonia and the host structure

description: Combined with computational modeling, in situ inelastic neutron scattering (INS) will be employed to reveal the nature of the interactions between stored ammonia and the host structure of UiO-67 metal-organic frameworks (MOFs) as a function of increased ammonia loading. Results will be used to interpret the stepped ammonia sorption isotherms of these materials, which may open a new perspective of the structure-adsorption relationship in MOF materials. Findings will also enable our rational design of Zr-based MOFs for efficient catalytic ammonia decomposition to produce hydrogen for fuel cell applications.
DOI: 10.5286/isis.e.rb1920260-1
title: Zr-based metal-organic frameworks as carbon-free energy carriers: a study of the interactions between stored ammonia and the host structure

description: Combined with computational modeling, in situ inelastic neutron scattering (INS) will be employed to reveal the nature of the interactions between stored ammonia and the host structure of UiO-67 metal-organic frameworks (MOFs) as a function of increased ammonia loading. Results will be used to interpret the stepped ammonia sorption isotherms of these materials, which may open a new perspective of the structure-adsorption relationship in MOF materials. Findings will also enable our rational design of Zr-based MOFs for efficient catalytic ammonia decomposition to produce hydrogen for fuel cell applications.
DOI: 10.5286/isis.e.rb1920431
title: Investigating magnetic ordering through μSR study in spin-chain Cu(NH3)4SO4·H2O

description: By the virtue of having an entangled ground state the Heisenberg spin ½ chain systems provide a suitable perform to test multi-qubit quantum information protocols. There have been experimental evidences that the local spin environment in the spin lattice determine the entanglement properties which are possible capture from magnetic data in macroscopic scale. Through this project we plan to explore the entanglement characteristics in a spin chain system Cu(NH3)4SO4·H2O (CTS). Later this knowledge will be used to implement quantum communication protocol where we plan to transfer a quantum state through the spin chain. To perform such a study we need to have a proper knowledge about the magnetic ordering and weaker spin interactions in CTS, which are not explored yet and are not possible to capture by thermodynamic measurements. Hence we plan to investigate these details through muSR study.
DOI: 10.5286/isis.e.rb1920431-1
title: Investigating magnetic ordering through μSR study in spin-chain Cu(NH3)4SO4·H2O

description: By the virtue of having an entangled ground state the Heisenberg spin ½ chain systems provide a suitable perform to test multi-qubit quantum information protocols. There have been experimental evidences that the local spin environment in the spin lattice determine the entanglement properties which are possible capture from magnetic data in macroscopic scale. Through this project we plan to explore the entanglement characteristics in a spin chain system Cu(NH3)4SO4·H2O (CTS). Later this knowledge will be used to implement quantum communication protocol where we plan to transfer a quantum state through the spin chain. To perform such a study we need to have a proper knowledge about the magnetic ordering and weaker spin interactions in CTS, which are not explored yet and are not possible to capture by thermodynamic measurements. Hence we plan to investigate these details through muSR study.
DOI: 10.25934/00004290
title: A Phase I Open-label, Dose Escalation Study to Investigate the Safety, Pharmacokinetics, Pharmacodynamics, Immunogenicity and Clinical Activity of the Antibody Drug Conjugate GSK2857916 in Subjects With Relapsed/Refractory Multiple Myeloma and Other Advanced Hematologic Malignancies Expressing BCMA

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.5281/zenodo.3358193
title: Input files, plotting scripts, and figures for "Smoldering combustion in cellulose and hemicellulose mixtures: Examining the roles of density, fuel composition, oxygen concentration, and moisture content"

description: This bundle of files contains all the Gpyro input files, data, and plotting scripts for "Smoldering combustion in cellulose and hemicellulose mixtures: Examining the roles of density, fuel composition, oxygen concentration, and moisture content", as well as the figures themselves.
description: This research was funded by the Strategic Environmental Research and Development Program (SERDP) award RC-2651 under contract number W912HQ-16-C-0045. We also thank David Blunck, Benjamin Smucker, and Daniel Cowan from Oregon State University for providing their experimental temperature measurements data for validation. The views, opinions, and/or findings contained in this report are those of the authors and should not be construed as an official Department of Defense position of decision unless so designated by other official documentation.
DOI: 10.5286/isis.e.rb1910256-2
title: Structural analysis of honeycomb ruthenates - the relationship between the dimer formation and layer stacking pattern

description: Honeycomb ruthenates (Ru4+, 4d4) are the potential playground for exotic magnetism associated with strong spin-orbit coupling. However, the real honeycomb ruthenate Li2RuO3 shows dimerization of Ru atoms where spin and orbital degrees of freedom are quenched and spin-orbit coupling does not work. To suppress the dimerization, we employed ion-exchange technique on Li2RuO3 and obtained new materials such as Cu2RuO3 and H-Li2RuO3. Cu2RuO3 does not show dimerization and displays a Van Vleck-like magnetic susceptibility as expected for d4 system with spin-orbit coupling. The proton exchanged H-Li2RuO3 was found to be non-magnetic as in Li2RuO3, suggesting the presence of dimerization. To understand the relationship between the electronic ground state and crystal structure, we will perform structural analyses with high-resolution powder neutron diffractions on the new honeycomb ruthenates.
DOI: 10.5286/isis.e.rb1910534
title: Proximity induced magnetisation in topological insulator-antiferromagnetic heterostructures

description: We aim at investigating a new method to create dissipation less currents. We combine a topological insulator with an antiferromagnet to induce ferromagnetic order in the topological insulator. By this, we intend to transfer the electron system on the surfaces of the antiferromagnet into the anomalous quantum Hall state, where currents can flow without dissipation and are 100% spin-polarised. Our results will have impact on the development of energy-efficient electronics and on quantum computers. The main objectives of the proposed experiment using polarised neutron reflection (PMR) are: 1) To proof the induced magnetic order at the interface between the topological insulator and the antiferromagnet. 2) To determine the transition temperature of the induced magnetic order.
DOI: 10.5286/isis.e.rb1910534-1
title: Proximity induced magnetisation in topological insulator-antiferromagnetic heterostructures

description: We aim at investigating a new method to create dissipation less currents. We combine a topological insulator with an antiferromagnet to induce ferromagnetic order in the topological insulator. By this, we intend to transfer the electron system on the surfaces of the antiferromagnet into the anomalous quantum Hall state, where currents can flow without dissipation and are 100% spin-polarised. Our results will have impact on the development of energy-efficient electronics and on quantum computers. The main objectives of the proposed experiment using polarised neutron reflection (PMR) are: 1) To proof the induced magnetic order at the interface between the topological insulator and the antiferromagnet. 2) To determine the transition temperature of the induced magnetic order.