cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1810617
title: Exploring piezomagnetism in Mn3NiN thin films using neutron diffraction

description: Control of magnetism purely with electric field is a key goal of spintronics as it offers low power alternatives to current computer memory devices. The piezomagnetic effect (PME), the linear dependence of magnetisation with strain, offers a novel method to achieve this with significant advantages over current magnetostriction-based devices as it allows complete reversal of the magnetisation. Recently, we have predicted a giant PME in Mn3NiN films. To investigate this we have successfully grown thin films of Mn3NiN on various substrates and found strain induced magnetism in excellent agreement with theory. However, in order to confirm that these originate from the PME we need to determine the magnetic structure. Using the high flux WISH diffractometer we plan to determine the magnetic structure of our thin films and thereby confirm the origin of the strain dependent magnetism.
DOI: 10.5286/isis.e.rb1810631
title: Magnetism and structural distortions in the Sr(2-x)Ba(x)NiOsO6 system

description: The magnetism of double perovskites can be amazingly sensitive to subtle distortions of their structures. Previous studies have shown that Ca2NiOsO6 is a ferrimagnet, Sr2NiOsO6 is a antiferromagnet, and Ba2NiOsO6 is a ferromagnet.  This means that the magnetic coupling between nickel and osmium changes from antiparallel in Ca2NiOsO6 to parallel in Ba2NiOsO6 in response relatively minor distortion of the structure.  We request neutron time to study solid solutions between Sr2NiOsO6 and Ba2NiOsO6 to understand the exceptionally strong coupling between magnetism and lattice distortions in this system.
DOI: 10.5286/isis.e.rb1810756
title: Probing Spin Dynamics in S=1/2 spin liquid candidate Metal-Organic Framework (MOF)

description: Spin liquids are magnetic materials with no long range ordering.  We would like to explore the magnetic ground state of a Copper based Metal-Organic Framework(MOF) with suspected spin liquid behavior. Our magnetization data gives a strong indication of the absence of long range magnetic ordering at very low temperature even though the presence of strong antiferromagnetic interactions in the system that can be ascertained from Curie-Weiss law. This is a good indication of a possible spin liquid ground state in the system. In this study, we propose to probe the spin dynamics of this MOF at milli Kelvin temperature. Probing the spin dynamics at the lowest temperatures using  Zero field MuSR as well as longitudinal Field MuSR will provide crucial information to demystify the nature of ground state of this material.
DOI: 10.5286/isis.e.rb1820436
title: Structural Investigations of Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 Piezoelectric Single Crystals

description: Discovery and development of advanced materials requires understanding and control of the relationship between composition, structure and function. In crystalline materials, there is considerable focus on a design process that is informed by a single macroscopic structure defined by the average crystallographic unit cell determined by Bragg diffraction. This is a powerful approach, but it has become increasingly apparent that local chemical and positional deviations from this long-range average view of the structure can have decisive effects even in crystalline systems. Here we will investigate the behaviour of best in class lead based piezoelectric crystals in order to develop insight into the microscopic mechanisms behind their macroscopic properties, in order to design lead free replacement materials.
DOI: 10.5286/isis.e.rb1820511
title: Using SANS2D to determine the size of MscL clusters in proteoliposomes

description: In bacteria, mechanosensitive ion channels such as MscL protect cells against osmotic shock. Although crucial for protecting cells, as with all ion channels, they have the potential to act as an Achilles heel, by providing a target for antimicrobial treatments. It is thought that these work as pressure release valves and respond to an increase in membrane tension by opening. Previous measurements suggested that these ion channels assemble into clusters of 100's of channels. Having a few channels in a cluster enables the sensitivity of the valve to be tuned having 100's of proteins in a cluster does not seem to make biological sense. Our  SAXS measurements suggest that by expressing the protein direct into the proteoliposomes, we have created a system that is more representative of that found in bacterial membranes, so we should be able to get an accurate picture of the cluster size.
DOI: 10.5281/zenodo.2623338
title: Models and datasets for the research project Elektrizitätsnetzgekoppelte Fernwärmeversorgung 2020 (ENKF 2020)

description: Models and datasets for the research project Elektrizitätsnetzgekoppelte Fernwärmeversorgung 2020 (ENKF 2020). The project was carried out from 2016-2018 at the University of Applied Sciences Flensburg in Germany and co-funded by the Gesellschaft für Energie und Klimaschutz Schleswig-Holstein (EKSH) and Stadtwerke Flensburg GmbH.
DOI: 10.5281/zenodo.2623339
title: Models and datasets for the research project Elektrizitätsnetzgekoppelte Fernwärmeversorgung 2020 (ENKF 2020)

description: Models and datasets for the research project Elektrizitätsnetzgekoppelte Fernwärmeversorgung 2020 (ENKF 2020). The project was carried out from 2016-2018 at the University of Applied Sciences Flensburg in Germany and co-funded by the Gesellschaft für Energie und Klimaschutz Schleswig-Holstein (EKSH) and Stadtwerke Flensburg GmbH.
DOI: 10.5281/zenodo.2624280
title: Test data for running snakePipes : ChIP-seq workflow

description: <strong>Test files for running snakePipes workflows</strong>

<strong>snakePipes</strong> are pipelines built using snakemake and python for the analysis of epigenomic datasets. Please refer to this link for further information on snakePipes.

This folder contains test files that can be used to run the ChIP-seq workflow under snakePipes. To test the workflow, follow the following steps : 


	Download or prepare genome fasta, indices and annotations for human (<strong>hg38</strong>) genome.
	Download and install snakePipes via `conda create -n snakePipes -c mpi-ie -c bioconda -c conda-forge snakePipes`
	Update Genome configuration file with path to indices and annotations.
	Move to this repository and run the example <strong>command.sh</strong>
DOI: 10.5281/zenodo.2624281
title: Test data for running snakePipes : ChIP-seq workflow

description: <strong>Test files for running snakePipes workflows</strong>

<strong>snakePipes</strong> are pipelines built using snakemake and python for the analysis of epigenomic datasets. Please refer to this link for further information on snakePipes.

This folder contains test files that can be used to run the ChIP-seq workflow under snakePipes. To test the workflow, follow the following steps : 


	Download or prepare genome fasta, indices and annotations for human (<strong>hg38</strong>) genome.
	Download and install snakePipes via `conda create -n snakePipes -c mpi-ie -c bioconda -c conda-forge snakePipes`
	Update Genome configuration file with path to indices and annotations.
	Move to this repository and run the example <strong>command.sh</strong>
DOI: 10.5286/isis.e.rb1610012
title: Does Deuteration Change More then the Phonon Spectrum?

description: Our recent express measurments on protonated and deuterated 7,7,8,8-tetracyanoquinodimethane (TCNQ) have highlighted some interesting differences between the two. We seek to understand this by conducting further measurments on fresh samples and to collect low temperature measurments. We then want to expand this work to a novel opto-electronic material, DED-TCNQ, where recent work has shown a difference in the absorbance and flouresence spectrum on deuteration of the quinodial ring. Hopefully this work combining the TCNQ and DED-TCNQ results will help us understand how deuteration effects electronic propeties of the molecules.
DOI: 10.5286/isis.e.rb1810145
title: Copy of: Division of the supercritical fluid state into liquid- and gas-like states in CH4

description: In recent years, the long-standing belief that beyond the critical point, matter exhibits no clear transition between liquid-like and gas-like states has been questioned.  A line on the phase diagram, the Frenkel line, has been proposed which does separate matter into liquid-like and gas-like states beyond the critical point.  However, a direct experimental proof of the existence of the Frenkel line has proved elusive.If the Frenkel line does exist, the consequences are wide-ranging; from our understanding of thermodynamics, to use of supercritical fluids in the food, chemical and power industries, to our understanding of the interiors of gas-giant planets.We propose neutron diffraction experiments on fluid methane to elucidate whether or not the Frenkel line exists, building on the tentative evidence provided by our Raman spectroscopy and X-ray diffraction experiments.
DOI: 10.5286/isis.e.rb1820005
title: Structure and properties of tungsten oxide - based glasses: insides from concurrent neutron diffraction and Compton scattering.

description: Tungsten oxide containing glasses belong to a group of interesting technological materials because of the specific thermal, mechanical and optical properties obtained by insertion of tungsten atoms inside the glass network. This proposal is devoted to the study of the formulation of W-RE (RE= Nd2O3, La2O3) glasses, and of the effect of WO3 on their structure and properties.   The structure of WO3-based glasses and especially the coordination state of tungsten atoms is not well understood, but WO3 is an appropriate compound for the solving of general fundamental structural problems concerning the amorphous state and as well as for the preparation of new type of oxide glasses for technology.We hope to shed more light onto structure-property relation of W-RE glasses by  performing neutron transmission, diffraction, mass-resolved Compton scattering, and Gamma-Dopplerimetry for La and Nd.
DOI: 10.5286/isis.e.rb1820034
title: Electrostatic Interactions between Floating Bilayers and Thiol Coated Interfaces Controls water Gap Thickness

description: Bilayers which float below a self-assembled monolayer (SAM) coated solid support represent one of the most advanced membrane mimetics. Recently (RB 1720155) we assessed the feasibility of depositing floating supported membranes below self-assembled monolayers of (15-Mercaptopentadecyl)-1-aminoethanol (ThiolC15AmideAlcohol). We plan to continue this research by creating eight differing model bilayer systems at the gold/water interface and examining the structures of these biomembrane mimetics using. Each bilayer will be deposited below both pure ThiolC15AmideEthanol SAMs and a mixed 50:50 mixed ThiolC15AmideEthanol and ThiolC15AmideAmine SAMs. We wish to access the relationship between bilayer-SAM electrostatics and water gap distance. From this we aim to determine which sample and SAM conditions are optimal for producing stable floating membranes for a diverse range of lipid species.
DOI: 10.5286/isis.e.rb1820056
title: Test of Neutron Effects On Commercial Off The Shelf FPGA

description: The goal of these joint VESUVIO/ChipIR proposed experiments is to characterize the SEU occurrence on new generation FPGA caused by neutrons. We will focus on a Commercial Off-The-Shelf (COTS) component, in order to evaluate its robustness and its potential use in space environment in particular for micro and nano satellites. Due to their weight, power and budget limitations, and their low altitude operation, these satellites commonly use high performance COTS components.FPGAs represent a very interesting solution for signal acquisition, processing and transmission in such satellites. In this frame, their susceptibility to neutrons is an fundamental issue. The main purpose of the experiment is to make an accurate diagnosis of what are the faults produced in very high density FPGA. This analysis could lead to the creation of a reliability model of the FPGA.
DOI: 10.5286/isis.e.rb1820147
title: Magnetic structure of EuTAsF (T = Zn, Mn) via neutron diffraction

description: The proposal deals with compounds belonging to the ZrCuSiAs structure type that received renewed attention after the discovery and development of Fe-based superconductors. In the proposed experiment, we seek to extend our knowledge on the interplay between magnetic rare-earth ions and magnetic instabilities in transition metal-based antifluorite layers. By resolving magnetic structures, we should be able to explain magnetic behavior of EuTSbF (T = Zn, Mn) microscopically.
DOI: 10.5286/isis.e.rb1820221
title: The superconducting properties of a spin-3/2 superconductor

description: In all known superconductors, the supercurrent is carried by Cooper pairs which consist of spin-1/2 quasiparticles in either spin-singlet (the usual case) or spin-triplet (the unusual case) bound states. The crystalline symmetry fixes the effective spin of the Bloch electrons and in some cases (e.g. in the presence of strong spin-orbit interactions) they can behave as spin-3/2 particles. Recently, evidence was found of unconventional superconductivity emerging from a spin-3/2 quasiparticle electronic structure in the half-Heusler semimetal YPtBi.  Our planned transverse-field muon-spin rotation experiments will utilise the low-background, long time sensitivity and high statistics available on the MuSR instrument to measure the superconducting ground state in this highly unusual spin-3/2 superconductor.
DOI: 10.5286/isis.e.rb1820310
title: To investigate the magnetic ground state in BiCuMn6O12 using μSR technique

description: The new solid solution in the quadrupole perovskite family, BiCuMn6O12 attracts considerable attention by producing a mixture of Mn3+ and Mn4+ which introduce charge degree of freedom. It shows re-entrant structural transition on cooling which is quite new in the family of quadrupole perovskites. No clear evidence of long-range magnetic order was noticed down to 2 K in neutron diffraction study except the presence of short range ferromagnetic correlations. We failed to observe any well-defined spin-wave in inelastic neutron scattering measurements.  But the underlying physics behind this peculiar behaviour is still to be explored and magnetic ground state need to be investigated in detail. We propose here to perform muon spin relaxation experiment on the polycrystalline sample of BiCuMn6O12 which will provide direct information on the long range or short range ordering.
DOI: 10.5286/isis.e.rb1900027
title: OX05

description: High-voltage power semiconductor devices, such as IGBTs, diodes and MOSFETs are susceptible to destructive failure due to terrestrial cosmic radiation (CR), notably the nucleon part. As a consequence, device development has to ensure adequate radiation hardness for every device technology. This aim can only partly be met by device and technology simulations and, therefore, also calls for extensive device tests. In order to reduce testing times accelerated irradiation tests at facilities with a nucleon energy spectrum close to the natural terrestrial CR are essential. The thus obtained failures rates will be compared to simulation predictions and storage tests. A further aim is the close comparison of results obtained at different accelerator facilities to ensure the relevance and quality of the device tests. This latter goal is important as no single radiation facility is able to perfect
DOI: 10.5281/zenodo.2623657
title: Chameleon Starpu perfmodels

description: Performance models of Mirage and Sirocco nodes (PlaFRIM) for Chameleon+StarPU tests.
DOI: 10.5281/zenodo.2623658
title: Chameleon Starpu perfmodels

description: Performance models of Mirage and Sirocco nodes (PlaFRIM) for Chameleon+StarPU tests.
DOI: 10.5286/isis.e.rb1720385
title: Interphase load partitioning during deformation of Ni-Cr-Al-Ti-Mo alloys

description: In this study, in-situ tensile testing will be used to determine the degree of load partitioning that occurs between the gamma and gamma prime phases in a series of model Ni-based superalloys with varying Mo content at room temperature and at 700C.  These data will be compared with predictions of the strengthening contributions of these alloys to quantify and separate the effect of coherency strains on alloy strength.  Such insights will be invaluable in understanding the effect of coherency strains on the mechanical properties of alloys of this type and may be useful for the design of future, higher performance superalloys that will enable more efficient aviation.
DOI: 10.5286/isis.e.rb1800058
title: Copy of: Magnetic PDF of the new high capacity nanostructured Li4Mn2O5 disordered cathode material

description: We have elaborated a new nano-crystallized high capacity Li-Mn-O cathode material, exhibiting record reversible capacities larger than 355 mAh/g and good cyclabilities. RT neutron powder diffraction at D1B, synchrotron x-ray diffraction and Pair Distribution Function (PDF) analysis at D2AM (ESRF)and neutron PDF at D4c (ILL) showed that this material has an MnO rock-salt type structure albeit highly disordered due to the Li/Mn mixing in the cation site and the presence of ~1/6 of oxygen vacancies. The evolution of the magnetic ordering in the pristine Li4Mn2O5 material was previously studied at D1B demonstrating the presence of a disordered magnetic phase in the form of the appearance of magnetic diffuse scattering at the corresponding Mn-Mn distances.  Therefore, we propose to measure the magnetic-PDF of Li4Mn2O5 at GEM, in order to determine the evolution of the magnetic configuration.
DOI: 10.5286/isis.e.rb1810034
title: The effect of interphase elemental partitioning on the lattice misfit of high cobalt and titanium containing superalloys

description: New superalloys with higher temperature capability are required for more efficient gas turbine engines in civil aviation.  Recent research has identified that alloys with elevated co-additions of cobalt and titanium offer improved properties over conventional nickel-based superalloys.  However, a greater understanding of the phase equilibria and crystallography of such alloys is required before commercial alloys of this type may be realised.  In this experiment, diffraction data will be acquired from 7 quinary Ni-Co-Al-Ti-Cr alloys to study systematically the effect of temperature on the lattice parameters of the two main constituent phases and their associated lattice misfit.  These data will provide insight into the relative contribution of coherency strengthening to the overall mechanical properties in such alloys, which will aid future alloy design.
DOI: 10.5286/isis.e.rb1810499
title: Verifying and improving self-consistent elasto-plastic models for two-phase coherent materials

description: In this experiment, we aim to clarify how different deformation mechanisms are best incorporated in a so-called elasto-plastic self-consistent model. The model is developed to predict the behaviour of materials with specific orientation relationships between the crystals in the two different phases. We will perform in-situ neutron scattering measurements during tensile testing of a Ni-base superalloy with microstructures designed to enhance or suppress lattice co-rotation, a local boundary condition resulting from the orientation relationship between the phases. The results will be used to systematically assess the effect of different assumptions made in the model, and to develop approaches to describe different deformation mechanisms in the simulations.
DOI: 10.5286/isis.e.rb1810674
title: Lipid bilayers suspended beneath the air/water interface for neutron reflectivity investigation of mechanosensitive ion channels

description: Bacterial membranes contain safety valves called mechanosensitive ion channels, which protect the bacterium from changes in the osmotic pressure of their environment. However, they also represent a possible achilles heal, which we may be able to exploit to help overcome the current rise in bacterial antimicrobial resistance. The ion channels could be actuated by a change in membrane tension caused by therapeutic molecules interacting with the membrane. We will develop a platform in which a model bacterial membrane is formed beneath a single layer of soap molecules at the air-water interface of a trough. We will use the reflection of neutrons to probe if the addition of the therapeutic peptide causes a change in the curvature/tension of the bilayer in which the ion channels have been embedded and in doing so causes the channel to open, increasing the amount of water in the bilayer.
DOI: 10.5286/isis.e.rb1810736
title: Investigating corroded historical ferrous specimens

description: The development of non-invasive techniques are of paramount importance for the investigation of materials that are valuable, either in monetary terms or of scientific significance. Recent developments have shown that neutron and muon techniques are especially useful for the analysis of historical and archaeological specimens since they are non-invasive. In the case of ferrous objects, if there has been some corrosion, the proportion of goethite can be measured, which is useful for determining the conservation status of historical objects in museum collections. Specimens of Admiral 1050 steel (of a known composition) have been allowed to corrode in a warm, damp, environment for a year, and have formed layers of corrosion products. We plan to measure the original carbon content.
DOI: 10.5286/isis.e.rb1810859
title: Application of INS in order to identify the hydrocarbons retained within the ZSM-5 catalyst during the Methanol to Hydrocarbons reaction

description: The Methanol-to-Hydrocarbons reaction uses methanol as feedstock, and turns it into more industrially relevant products via a ZSM-5 catalyst. There is a lack of fundamental understanding at what causes the product distribution to change and the catalyst to deactivate. Through previous INS experiments using TOSCA, MERLIN and MAPS it has been established that INS allows for the direct observation of the hydrocarbon species retained within the working catalyst. The complexity of the hydrocarbon species makes it difficult to identify them, owing to the limited number of spectra of relevant compounds that are available. We propose to use TOSCA  to obtain spectra of a broad range of compounds that will help in identifying those hydrocarbons. Model compounds will be loaded on ZSM-5 in order to observe if the spectra change. This work will also add 14 new compounds to the INS database.
DOI: 10.5286/isis.e.rb1820072
title: Competing Antiferromagnetic and Ferromagnetic Ground States in CaFe3Ti4O12

description: Using high-temperature high-pressure synthetic methods we have recently prepared the new quadruple perovskite CaFe3Ti4O12. Curie-Weiss magnetic susceptibility and Mossbauer data also confirm the presence of Fe2+ S = 2 spins. Magnetic susceptibility data show a maximum at 2.8 K suggesting AFM (antiferromagnetic) ordering of the Fe2+ spins. However the AFM feature in the magnetic susceptibility data is suppressed when measured under high applied magnetic fields, and the same effect is observed in heat capacity data. DFT calculations for the AFM and FM spin arrangements for the Fe2+ spin sublattice in CaFe3Ti4O12 reveal that the two states are very close in energy. We therefore would like to perform neutron diffraction experiments under different temperatures and applied magnet fields to characterise the competition between AFM and FM ground states. We request 3 days on WISH.