cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e/isis.e.rb2400048
title: Quantifying chain dimensions and the interaction parameter between vinyl alcohol and vinyl acetate in PVAc

description: The RPA scattering from blends of poly(vinylacetate) "PVAc" and its hydrolysed counterpart, poly(vinylalcohol) "PVA" are is important to understand for film-forming applications and in particular the dissolution of soluble unit dose detergent pouch technologies. Our recent SANS experiments on a family of well-defined PVA and PVAc materials revealed some surprising and apparently inconsistent behaviour. As the PhD project to study these materials is set to end in October 2024 we request some rapid access beamtime for a simple SANS experiment to resolve and decouple the ambiguities and enable publicaiton from this and the previous experiments. Careful simulations show that unless the sample volume is very well defined, then the impact of changing interaction parameter and chain dimensions on scattering cannot be de-coupled and we require some repeat experiments with a new method to prepare very well-defined sample volumes. We also wish to exploit our backbone-deuterated PVA samples in blends to study the RPA scattering from PVA/dPVA at much higher concentration than was previously possible to resolve the chain structure of the 'pure' materials.
DOI: 10.5286/isis.e/isis.e.rb2400048-1
title: Quantifying chain dimensions and the interaction parameter between vinyl alcohol and vinyl acetate in PVAc

description: The RPA scattering from blends of poly(vinylacetate) "PVAc" and its hydrolysed counterpart, poly(vinylalcohol) "PVA" are is important to understand for film-forming applications and in particular the dissolution of soluble unit dose detergent pouch technologies. Our recent SANS experiments on a family of well-defined PVA and PVAc materials revealed some surprising and apparently inconsistent behaviour. As the PhD project to study these materials is set to end in October 2024 we request some rapid access beamtime for a simple SANS experiment to resolve and decouple the ambiguities and enable publicaiton from this and the previous experiments. Careful simulations show that unless the sample volume is very well defined, then the impact of changing interaction parameter and chain dimensions on scattering cannot be de-coupled and we require some repeat experiments with a new method to prepare very well-defined sample volumes. We also wish to exploit our backbone-deuterated PVA samples in blends to study the RPA scattering from PVA/dPVA at much higher concentration than was previously possible to resolve the chain structure of the 'pure' materials.
DOI: 10.5286/isis.e/isis.e.rb2490187-1
title: Crystal field excitations in TmBr3
DOI: 10.3535/ydn-pk1-yln
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.4121/f96bbd4f-86d3-4a34-a280-28c352e73b0a
title: Dataset to the publication Functional grading of low alloy steel to 316 L by wire arc additive manufacturing – Microstructural and mechanical characterization of bi-metal interface

description: Dataset to the publication Functional grading of low alloy steel to 316 L by wire arc additive manufacturing – Microstructural and mechanical characterization of bi-metal interface. The data was obtained to describe the microstructural constituents formed at the diluted interface layer formed between low alloy and stainless steels after cladding one onto the other during multi-material additive manufacturing. The data is the one measured through metallurgical and mechanical characterization procedures. Data set includes the output of several techniques, including: Digital Image Correlation data (DIC) - measurement snapshots of engineering stress, correlated to lead levels measuredElectron Backscatter Diffraction (EBSD) - crystallographic information files, including files and graphs shown in the related publicationElectron Probe Microanalysis (EPMA) - Elemental quantification measurements, in wt%, as well Stacking Fault Energy and Martensite Start Temperature values derived from empirical relationships therefrom.Hardness Measurements - including geometrical and spatial data on every indentation madeScanning Transmission Electron Microscopy (STEM) micrographs and Electron Dispersive Spectroscpy (EDS) measurements therefromThermoCalc simulation results, including Scheil calculations as well as CCT figures for undiluted parent alloys and different degrees of dilution onto one another.
DOI: 10.5286/isis.e/isis.e.rb2490187
title: Crystal field excitations in TmBr3
DOI: 10.5286/isis.e/isis.e.rb2490188
title: Crystal field excitations in TmI3
DOI: 10.5286/isis.e/isis.e.rb2490188-1
title: Crystal field excitations in TmI3
DOI: 10.3535/1c1-8lg-s1q
title: Vinca herbacea Waldst. & Kit.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/vq9-c59-yw1
title: Crassula alata (Viv.) A. Berger

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2310599-2
title: Li-diffusion behaviour during delithiation/lithiation in Li1.2Ni0.2Ti0.6O2 Disordered Rocksalt Material designed for use as Li-ion Battery Cathode

description: Research into energy storage technologies continues to focus on finding systems with low cost and high energy density. In the field of lithium-ion batteries, cathode materials remain the limiting factor on energy density and so developing new materials remains the focus of much current research. 
Lithium transition metal oxides with disordered rocksalt (DRX) structure such as Li1.2Ni0.2Ti0.6O2 (LNTO) are one area of focus for this due to their high
theoretical capacities. However, there is still much to learn about such structures, particularly the effect of variations in synthetic route on properties such as local charge distribution and ordering but also on how lithium diffusion pathways are altered during lithium extraction and insertion during charge and discharge of the battery system. We propose to investigate this using operando muon spectroscopy to elucidate differences in Li-ion diffusion in LNTo when synthesised by two different synthetic routes.
DOI: 10.5286/isis.e/isis.e.rb2310624-3
title: Phonon anomalies and structural instabilities in TbScO3 (MERLIN)

description: Distorted perovskite TbScO3 is a particularly interesting lanthanide scandate, exhibiting a dramatic flexoelectric effect, along with the common features of the wider family of lanthanide scandates. Accurate knowledge of its structure and dynamics is of particular importance, for example due to its use as a substrate for epitaxial growth of high-quality perovskite thin films. However, the structure and dynamics of this material at low temperatures are not properly understood. We plan to investigate these by combining phonon studies with powder and single crystal neutron diffraction. Powder diffraction on HRPD and single crystal diffraction on SXD will be used to study structural models and characterise subtle distortions of this material. Phonon spectrometry on MERLIN – preceded by careful phonon characterization using CASTEP with Horace and the Euphonic package – will be used to clarify discrepancies between phonon modes allowed by symmetry and those previously experimentally observed.
DOI: 10.5286/isis.e/isis.e.rb2400035-1
title: Structural Implications of Novel Serine-rich Antimicrobial Peptides Killing Bacteria

description: Modifying antimicrobial peptides' (AMPs) relative charges and hydrophobicity impacts their self-assembly and interaction with bacterial membranes. We produced novel, rationally designed AMPs utilising amino acids to selectively replace some lysine residues in the widely studied G(IIKK)3I-NH2 (G3) [1]. Using OFFSPEC, we have almost wholly unravelled how replacing lysine residues with serine influences peptide mechanism of action when binding to a model bacterial outer membrane mimic. Neutron reflection reveals serine homologues interact with the bacterial membrane differently depending on serine content, causing either the formation of lipid-peptide nano aggregates on the membrane surface or via direct lipid dissolving and membrane thinning. However, to fully deconstruct the entire interaction, we need to conduct further measurements with a fully deuterated bilayer system, uncovering the peptides' entire mechanism of action.
DOI: 10.3535/frb-sq5-ttg
title: Symphyotrichum subulatum (Michx.) G. L. Nesom

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/g42-tvv-www
title: Theligonum cynocrambe L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.4121/f96bbd4f-86d3-4a34-a280-28c352e73b0a.v1
title: Dataset to the publication Functional grading of low alloy steel to 316 L by wire arc additive manufacturing – Microstructural and mechanical characterization of bi-metal interface

description: Dataset to the publication Functional grading of low alloy steel to 316 L by wire arc additive manufacturing – Microstructural and mechanical characterization of bi-metal interface. The data was obtained to describe the microstructural constituents formed at the diluted interface layer formed between low alloy and stainless steels after cladding one onto the other during multi-material additive manufacturing. The data is the one measured through metallurgical and mechanical characterization procedures. Data set includes the output of several techniques, including: Digital Image Correlation data (DIC) - measurement snapshots of engineering stress, correlated to lead levels measuredElectron Backscatter Diffraction (EBSD) - crystallographic information files, including files and graphs shown in the related publicationElectron Probe Microanalysis (EPMA) - Elemental quantification measurements, in wt%, as well Stacking Fault Energy and Martensite Start Temperature values derived from empirical relationships therefrom.Hardness Measurements - including geometrical and spatial data on every indentation madeScanning Transmission Electron Microscopy (STEM) micrographs and Electron Dispersive Spectroscpy (EDS) measurements therefromThermoCalc simulation results, including Scheil calculations as well as CCT figures for undiluted parent alloys and different degrees of dilution onto one another.
DOI: 10.5286/isis.e/isis.e.rb2300090
title: Detector tests for MELODY and future

description: With the recent funding of China's first muon project, MELODY, it becomes essential to conduct several detector tests to ensure its successful completion. The new muon detection technique we are developing will also benefit the entire muon research community. The proposed tests include measuring muon beam intensity, testing the μSR detector, and evaluating the LGAD (Low Gain Avalanche Diode) detector.
DOI: 10.5286/isis.e/isis.e.rb2300090-1
title: Detector tests for MELODY and future

description: With the recent funding of China's first muon project, MELODY, it becomes essential to conduct several detector tests to ensure its successful completion. The new muon detection technique we are developing will also benefit the entire muon research community. The proposed tests include measuring muon beam intensity, testing the μSR detector, and evaluating the LGAD (Low Gain Avalanche Diode) detector.
DOI: 10.5286/isis.e/isis.e.rb2400035
title: Structural Implications of Novel Serine-rich Antimicrobial Peptides Killing Bacteria

description: Modifying antimicrobial peptides' (AMPs) relative charges and hydrophobicity impacts their self-assembly and interaction with bacterial membranes. We produced novel, rationally designed AMPs utilising amino acids to selectively replace some lysine residues in the widely studied G(IIKK)3I-NH2 (G3) [1]. Using OFFSPEC, we have almost wholly unravelled how replacing lysine residues with serine influences peptide mechanism of action when binding to a model bacterial outer membrane mimic. Neutron reflection reveals serine homologues interact with the bacterial membrane differently depending on serine content, causing either the formation of lipid-peptide nano aggregates on the membrane surface or via direct lipid dissolving and membrane thinning. However, to fully deconstruct the entire interaction, we need to conduct further measurements with a fully deuterated bilayer system, uncovering the peptides' entire mechanism of action.
DOI: 10.34816/ifao.archives.232795
title: SAQQARA_nb_1994_05991

description: Référence : nb_1994_05991<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/d1s-ecc-46f
title: Astragalus aleppicus subsp. aleppicus

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/nkh-0nn-7em
title: Anagyris foetida L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2410597
title: The structure of ionic liquid solutions nanoconfined in mesoporous silica

description: In this proposal we will study the structure of room-temperature ionic liquids (RTILs) confined to the nanometre-scale pores of the mesoporous silica SBA-15. RTILs are organic salts with low melting points, generally composed of an asymmetric organic cation and a highly symmetric inorganic or organic anions. They have received much attention these days due to the unique combination of properties: low vapor pressure, nonflammability, high thermal and conductivity. Applications include use as green solvents and as electrolytes in energy storage devices. Here we will use neutron diffraction and isotope labelling to understand how RTILs are structured when under nanoscale confinement, with questions revolving around the nature of charge ordering and the impact/extent of surface packing and reorientation. To reduce the viscosity of the system, we will use acetonitile as the solvent across two concentrations, with isotope H/D labelling of all 3 components (cations, anions and solvent).
DOI: 10.5286/isis.e/isis.e.rb2410597-1
title: The structure of ionic liquid solutions nanoconfined in mesoporous silica

description: In this proposal we will study the structure of room-temperature ionic liquids (RTILs) confined to the nanometre-scale pores of the mesoporous silica SBA-15. RTILs are organic salts with low melting points, generally composed of an asymmetric organic cation and a highly symmetric inorganic or organic anions. They have received much attention these days due to the unique combination of properties: low vapor pressure, nonflammability, high thermal and conductivity. Applications include use as green solvents and as electrolytes in energy storage devices. Here we will use neutron diffraction and isotope labelling to understand how RTILs are structured when under nanoscale confinement, with questions revolving around the nature of charge ordering and the impact/extent of surface packing and reorientation. To reduce the viscosity of the system, we will use acetonitile as the solvent across two concentrations, with isotope H/D labelling of all 3 components (cations, anions and solvent).
DOI: 10.5286/isis.e/isis.e.rb2490199-1
title: Probing the Spin Dynamics of Frustrated MnCr2S4 Using Inelastic Neutron Scattering on OSIRIS with Xpress mode
DOI: 10.3535/kgs-1p8-765
title: Enteropogon prieurii (Kunth) Clayton

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2410591
title: SANS study of electrodynamically levitated aerosol clouds: a new tool for aerosol research

description: This proposal will provide proof-of-concept SANS data from an ensemble of electrostatically levitated aerosol particles, demonstrating the potential of neutron scattering in aerosol science. The particles will be: first, lipid samples that assemble into different mesophases in surrounding deuterated humidity, already known to give Bragg peaks in SANS, as proof of concept; we will then move on to micelle solutions, to demonstrate solution scattering capabilities.
DOI: 10.5286/isis.e/isis.e.rb2410591-1
title: SANS study of electrodynamically levitated aerosol clouds: a new tool for aerosol research

description: This proposal will provide proof-of-concept SANS data from an ensemble of electrostatically levitated aerosol particles, demonstrating the potential of neutron scattering in aerosol science. The particles will be: first, lipid samples that assemble into different mesophases in surrounding deuterated humidity, already known to give Bragg peaks in SANS, as proof of concept; we will then move on to micelle solutions, to demonstrate solution scattering capabilities.
DOI: 10.5286/isis.e/isis.e.rb2469001-1
title: In-situ time-resolved SANS and ND study of the random VC precipitation kinetics in Nanosteels

description: Nano-steels are a new generation of Advanced High Strength Steels (AHSS), extremely suitable for lightweight
automotive applications. The matrix of the steel, which provides ductility and stretch, is significantly strengthened by
manometer-sized precipitates, which can increase the strength level by 30-50%. These steels contain different microalloying
additions, such as vanadium (V), which form the essential nano-precipitates. A resource-efficient use of these alloying additions requires further knowledge on the formation kinetics of these nanometer-sized vanadium carbides (VC). The formation of these nano-scale VC precipitates can be achieved by two mechanisms: (a) random precipitation from supersaturated ferrite and/or (b) interphase precipitation. Our previous studies have focused on interphase precipitation. In this experiment we want to explore random precipitation. Our aim is to measure the random VC-precipitation kinetics in Nano-steel by simultaneous in-situ time-resolved SANS and Neutron Diffraction (ND) at elevated temperatures to elucidate the effects of V and C additions.
DOI: 10.5286/isis.e/isis.e.rb2490199
title: Probing the Spin Dynamics of Frustrated MnCr2S4 Using Inelastic Neutron Scattering on OSIRIS with Xpress mode
DOI: 10.34816/ifao.archives.232796
title: SAQQARA_nb_1994_05999

description: Référence : nb_1994_05999<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/dn5-cg2-n6c
title: Phleum pratense L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/znb-x62-51w
title: Anthoxanthum odoratum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2400043-1
title: Structural Investigation of catalytic relevant chlorofluorides

description: Aluminium chlorofluoride (ACF: AlClxF3-x, x=0.05-0.3) and its derivatives ACF-teflate (-OTeF5 doped ACF) and zirconium chlorofluoride (ZCF: ZrClxF4-x, x=0.05-0.4) are very strong Lewis acids, which are used as heterogeneous catalysts for a large variety of reactions, behaviour which is not observed for the respective crystalline chlorides and fluorides. Foremost, ACF and ACF-teflate have been used in C-F bond activation such as dehydrofluorination or hydrodefluorination. A major advance has recently been made using ZCF as a catalyst resulting in the first reported HF shuttle reaction using an heterogeneous catalyst at room temperature. This proof of concept paves the way for using existing fluorochemicals as substitute source of HF instead fluorspar, a limited natural resource. The disordering of the materials leads to difficulties in analysing the structure and relating it to catalytic properties. We aim to collect neutron total scattering data for the structural characterisation of amorphous ACF, ZCF and ACF-teflate. The collected data will be included in RMCProfile and Dissolve software to generate big-box atomistic models that allow us to describe the local coordination modes in the systems and their relation to the observed catalytic performance. This information will be invaluable for capturing distinct coordination environments and fluorine scattering will be essential to resolve details between AlF6 and ZrF8 polyhedra, also complementing our x-ray PDF analysis.
DOI: 10.5286/isis.e/isis.e.rb2469001
title: In-situ time-resolved SANS and ND study of the random VC precipitation kinetics in Nanosteels

description: Nano-steels are a new generation of Advanced High Strength Steels (AHSS), extremely suitable for lightweight
automotive applications. The matrix of the steel, which provides ductility and stretch, is significantly strengthened by
manometer-sized precipitates, which can increase the strength level by 30-50%. These steels contain different microalloying
additions, such as vanadium (V), which form the essential nano-precipitates. A resource-efficient use of these alloying additions requires further knowledge on the formation kinetics of these nanometer-sized vanadium carbides (VC). The formation of these nano-scale VC precipitates can be achieved by two mechanisms: (a) random precipitation from supersaturated ferrite and/or (b) interphase precipitation. Our previous studies have focused on interphase precipitation. In this experiment we want to explore random precipitation. Our aim is to measure the random VC-precipitation kinetics in Nano-steel by simultaneous in-situ time-resolved SANS and Neutron Diffraction (ND) at elevated temperatures to elucidate the effects of V and C additions.
DOI: 10.3535/rs9-ky9-r5f
title: Capsella bursa-pastoris (L.) Medik.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xcg-ver-dhy
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2400043
title: Structural Investigation of catalytic relevant chlorofluorides

description: Aluminium chlorofluoride (ACF: AlClxF3-x, x=0.05-0.3) and its derivatives ACF-teflate (-OTeF5 doped ACF) and zirconium chlorofluoride (ZCF: ZrClxF4-x, x=0.05-0.4) are very strong Lewis acids, which are used as heterogeneous catalysts for a large variety of reactions, behaviour which is not observed for the respective crystalline chlorides and fluorides. Foremost, ACF and ACF-teflate have been used in C-F bond activation such as dehydrofluorination or hydrodefluorination. A major advance has recently been made using ZCF as a catalyst resulting in the first reported HF shuttle reaction using an heterogeneous catalyst at room temperature. This proof of concept paves the way for using existing fluorochemicals as substitute source of HF instead fluorspar, a limited natural resource. The disordering of the materials leads to difficulties in analysing the structure and relating it to catalytic properties. We aim to collect neutron total scattering data for the structural characterisation of amorphous ACF, ZCF and ACF-teflate. The collected data will be included in RMCProfile and Dissolve software to generate big-box atomistic models that allow us to describe the local coordination modes in the systems and their relation to the observed catalytic performance. This information will be invaluable for capturing distinct coordination environments and fluorine scattering will be essential to resolve details between AlF6 and ZrF8 polyhedra, also complementing our x-ray PDF analysis.