cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2310243
title: Exploring the low energy excitations of the S=1 quasi-1D molecular system Mo3Se7(dmit)3

description: The molecular magnetic system Mo3S7(dmit)3 is a semiconductor with a charge gap of around 100 K and no magnetic transition or spin freezing down to 50 mK. In the crystal structure the molecules form closely coupled triangles and these triangular units are arranged in hexagonal layers. Theoretical studies indicate that each of the triangles has spin 1 and that the in-plane coupling between triangles is very weak compared to the inter-plane coupling of the triangles. The system can thus be viewed as a strong-rung three-leg spin ladder which is expected to behave as a symmetry-protected topological phase with a Haldane spin gap on the order of 1 K. Temperature dependent muSR studies in longitudinal fields up to 2 T have observed a gap feature that closes with field, becoming zero at around 1.2 T. This is consistent with the expectation for such a Haldane spin chain. This study will explore the properties of the isostructural system Mo3Se7(dmit)3 which is also expected to have a Haldane-gapped state at low field, with gap closure at a quantum critical point reached by a field that will be comfortably within the range of the HiFi instrument.
DOI: 10.5286/isis.e.rb2310308
title: Split-Ear Pommel Swords – Bimetallic and Bronze Weapons from Northwestern Iran

description: In consequence of a recent trafficking operation stopped by the Border Force in the UK, many metal objects from early Iron Age northwestern Iran became available for study. As part of PhD research conducted at Cranfield University and jointly funded by ISIS, we propose a Neutron Diffraction study of split-ear pommel swords to investigate their manufacturing technology.
DOI: 10.5286/isis.e.rb2310308-1
title: Split-Ear Pommel Swords – Bimetallic and Bronze Weapons from Northwestern Iran

description: In consequence of a recent trafficking operation stopped by the Border Force in the UK, many metal objects from early Iron Age northwestern Iran became available for study. As part of PhD research conducted at Cranfield University and jointly funded by ISIS, we propose a Neutron Diffraction study of split-ear pommel swords to investigate their manufacturing technology.
DOI: 10.3535/0sj-tl3-e2h
title: Astelia menziesiana Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xev-t6l-jgc
title: Chrysanthemum coronopifolium Vill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310691-3
title: Chasing a new paradigm in frustrated magnets : 1st experiment on rare earth antiperovskite (WISH)

description: Our recent theoretical work suggests that the antiperovskite lattice with Ising spins can host a variety of exotic phases and be a promising new playground for frustrated magnets with fragmented spin ice states and emergent monopoles. Experimental realizations of such an idealized system are needed but the required topology using large Ising spins is difficult to achieve due to chemical constraints. We have identified a suitable candidate in Ho3(PN4)O which has recently been synthesized via a high pressure-high temperature route. We propose neutron powder diffraction measurements at ultra-low temperatures on this new compound to determine the ground state of this exciting new rare-earth anti-perovskite within the context of our theoretical work. We have also applied for muon spin relaxation measurements on EMU in this current round.
DOI: 10.5286/isis.e.rb2390065-1
title: Li3PS4(D2O)4
DOI: 10.5286/isis.e.rb2390066-1
title: Li3PS4(D2O)2
DOI: 10.3535/4gs-04y-8v7
title: Chrysanthemum coronopifolium Vill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/glb-4qe-sj7
title: Astelia menziesiana Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220025
title: Fluxionality in iron pentacarbonyl, Fe(CO)5
DOI: 10.5286/isis.e.rb2220025-1
title: Fluxionality in iron pentacarbonyl, Fe(CO)5
DOI: 10.5286/isis.e.rb2390064-1
title: Structural characterisation Li3PS4(D2O)8
DOI: 10.3535/hfb-yw3-2fa
title: Leucanthemopsis alpina (L.) Heywood

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/mbr-anr-574
title: Astelia menziesiana Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2390135-1
title: Duplicate Of: Investigation into the cation arrangement of Pr-doped SrFeO3 for symmetrical SOFCs-SrFePr0.6
DOI: 10.5286/isis.e.rb2390136-1
title: Investigation into the cation arrangement of Pr-doped SrFeO3 for symmetrical SOFCs-SrFePr0.8
DOI: 10.5286/isis.e.rb2390151-1
title: Structure and magnetic order of Sr4Fe4O7S2
DOI: 10.21233/n3nr41
title: Baker Lake Site 3 pollen surface sample dataset

description: Raw data for the Baker Lake Site 3 pollen surface sample dataset submitted to the Neotoma Paleoecology Database. Data is available through the landing page in JSON format. The landing page referenced by the DOI also contains links to publications and a map-based viewer for the dataset. The Neotoma Paleoecology Database maintains a homepage at https://www.neotomadb.org.
DOI: 10.3535/mzh-74s-m07
title: Quercus aegilops L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2300092
title: Understanding the structure of Li/Ca/Mg Pyrophosphate glass

description: Phosphate-based glasses are currently receiving a lot of interest since they have potential application as solid electrolytes in batteries. Although solid state electrolytes have many advantages over liquid equivalents, for example they have higher energy destiny and are safer, an understanding of their mechanical properties and how this relates to the underlying atomic and molecular-scale structure is required if practical cells are to be developed beyond thin films. In this study we will look at a series of five phosphate glasses based on P2O7 with different modifiers. We are particularly interested in how the intermediate range ordering correlated with their mechanical properties, how the small angle signal changes as clusters develop (seen in preliminary simulations) and also, on a shorter length scale, how P-O distances with terminal and bridging oxygens vary with composition and modifier species.
DOI: 10.5286/isis.e.rb2300092-1
title: Understanding the structure of Li/Ca/Mg Pyrophosphate glass

description: Phosphate-based glasses are currently receiving a lot of interest since they have potential application as solid electrolytes in batteries. Although solid state electrolytes have many advantages over liquid equivalents, for example they have higher energy destiny and are safer, an understanding of their mechanical properties and how this relates to the underlying atomic and molecular-scale structure is required if practical cells are to be developed beyond thin films. In this study we will look at a series of five phosphate glasses based on P2O7 with different modifiers. We are particularly interested in how the intermediate range ordering correlated with their mechanical properties, how the small angle signal changes as clusters develop (seen in preliminary simulations) and also, on a shorter length scale, how P-O distances with terminal and bridging oxygens vary with composition and modifier species.
DOI: 10.5286/isis.e.rb2310473-1
title: Muon spin relaxation study of the triangular antiferromagnet NaErSe2

description: Disordered magnetic states known as spin liquids are of paramount importance in both fundamental and applied science. A classical state of this kind was predicted for the Ising antiferromagnetic triangular model but such material is still rare to date. The recent discovered rare-earth magnet ReMgGaO4 (Re = Yb, Tm, or Er) provides a new opportunity to examine the exotic phenomenon. However, nonmagnetic Mg-Ga site disorder due to intrinsic sample issues has an adverse effect on the identification of deconfined spinon excitations. Recently, the rare-earth-based triangular-lattice material NaReSe2 was found to be free of site-mixing disorder, which will make us better understand the observed spin-excitation continuum in this material. NaErSe2 represents one of the ideal platforms for the research of quantum spin liquids and its promising applications. Here, using the muon-spin relaxation and rotation technique, we intend to study such magnetic fluctuations. The outcome will help us better explore the magnetic properties of quantum spin liquid candidate NaErSe2.
DOI: 10.3535/kdz-mk5-b27
title: Orchis incarnata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/t2z-p5c-4t0
title: Leucanthemum coronopifolium subsp. ceratophylloides (All.) Vogt & Greuter

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310473
title: Muon spin relaxation study of the triangular antiferromagnet NaErSe2

description: Disordered magnetic states known as spin liquids are of paramount importance in both fundamental and applied science. A classical state of this kind was predicted for the Ising antiferromagnetic triangular model but such material is still rare to date. The recent discovered rare-earth magnet ReMgGaO4 (Re = Yb, Tm, or Er) provides a new opportunity to examine the exotic phenomenon. However, nonmagnetic Mg-Ga site disorder due to intrinsic sample issues has an adverse effect on the identification of deconfined spinon excitations. Recently, the rare-earth-based triangular-lattice material NaReSe2 was found to be free of site-mixing disorder, which will make us better understand the observed spin-excitation continuum in this material. NaErSe2 represents one of the ideal platforms for the research of quantum spin liquids and its promising applications. Here, using the muon-spin relaxation and rotation technique, we intend to study such magnetic fluctuations. The outcome will help us better explore the magnetic properties of quantum spin liquid candidate NaErSe2.
DOI: 10.5286/isis.e.rb2320111-1
title: Ultra-high Resolution Larmor Diffraction in Backscattering Geometry

description: Neutron Larmor diffraction (LD) is a new technique developed by T. Rekveldt to increase the resolution of conventional neutron diffractometers by fully taking advantage of the additional spin freedom of the neutron. Inside a magnetic field, the neutron spin will execute a motion called Larmor precession around the magnetic field vectors, and the accumulated Larmor phase (ɸ) is proportional to the magnetic field intensity (B), neutron wavelength (λ), and the path length (L) through the magnets. By tilting the field boundaries of the magnets before and after the sample to be parallel to the crystal plane of interest, the measurement of the lattice spacing (d) can be linearly translated into the measurement of the Larmor phase as: ɸ ∝ BLd, the value of which is independent of the beam divergence, or the mosaic spread of the sample. With a high resolution in the Larmor phase measurement of ∆ɸ/ɸ ~ 10-6, the same resolution could be achieved for the measurement of the change in the lattice constant (∆d/d=∆ɸ/ɸ). We propose to deploy LD in the back scattering mode so that the diffracted neutrons are scattered back along the incident beam. With this, the LD setup could be simplified, where only one magnet is required before the sample and its field boundaries are naturally parallel to the crystal plane making LD easily hosted on a conventional diffractometer.
DOI: 10.5286/isis.e.rb2390133-1
title: Modulated structure of CeSeO
DOI: 10.3535/7gf-3c9-2hk
title: Leucanthemopsis alpina (L.) Heywood

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wk5-pnz-r6y
title: Leucanthemopsis alpina (L.) Heywood

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2320111
title: Ultra-high Resolution Larmor Diffraction in Backscattering Geometry

description: Neutron Larmor diffraction (LD) is a new technique developed by T. Rekveldt to increase the resolution of conventional neutron diffractometers by fully taking advantage of the additional spin freedom of the neutron. Inside a magnetic field, the neutron spin will execute a motion called Larmor precession around the magnetic field vectors, and the accumulated Larmor phase (ɸ) is proportional to the magnetic field intensity (B), neutron wavelength (λ), and the path length (L) through the magnets. By tilting the field boundaries of the magnets before and after the sample to be parallel to the crystal plane of interest, the measurement of the lattice spacing (d) can be linearly translated into the measurement of the Larmor phase as: ɸ ∝ BLd, the value of which is independent of the beam divergence, or the mosaic spread of the sample. With a high resolution in the Larmor phase measurement of ∆ɸ/ɸ ~ 10-6, the same resolution could be achieved for the measurement of the change in the lattice constant (∆d/d=∆ɸ/ɸ). We propose to deploy LD in the back scattering mode so that the diffracted neutrons are scattered back along the incident beam. With this, the LD setup could be simplified, where only one magnet is required before the sample and its field boundaries are naturally parallel to the crystal plane making LD easily hosted on a conventional diffractometer.
DOI: 10.5286/isis.e.rb2320346
title: Identification of a Biomimetic Membrane Forming Mechanism in Extra-Terrestrial Environments

description: Cell membranes are complex structures that are robust enough to withstand changes in temperature and pressure, yet are stable and flexible enough to cope with a vast library of cellular processes. However, the mild conditions on Earth - conditions where water is liquid and membranes can be thermally stable - are famously scarce in the vastness of space. Recent data collected by the Cassini-Huygens probe, and subsequently studied by computer modelling has shown that some nitrogen-containing “tholin” molecules may be able to spontaneously form membrane-like structures in the cold liquid methane lakes on Titan, one of the moons of Saturn. In this experiment we will recreate this atmosphere at ISIS by cooling a tholin solution in supercritical methane to cryogenic temperatures, and probing the behaviour of these systems using neutron scattering.
DOI: 10.5286/isis.e.rb2320346-1
title: Identification of a Biomimetic Membrane Forming Mechanism in Extra-Terrestrial Environments

description: Cell membranes are complex structures that are robust enough to withstand changes in temperature and pressure, yet are stable and flexible enough to cope with a vast library of cellular processes. However, the mild conditions on Earth - conditions where water is liquid and membranes can be thermally stable - are famously scarce in the vastness of space. Recent data collected by the Cassini-Huygens probe, and subsequently studied by computer modelling has shown that some nitrogen-containing “tholin” molecules may be able to spontaneously form membrane-like structures in the cold liquid methane lakes on Titan, one of the moons of Saturn. In this experiment we will recreate this atmosphere at ISIS by cooling a tholin solution in supercritical methane to cryogenic temperatures, and probing the behaviour of these systems using neutron scattering.
DOI: 10.3535/94p-l7j-qxc
title: Leucanthemum atratum (Jacq.) DC.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/q9k-vzy-hbg
title: Orchis angustifolia Wimm. & Grab.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310325
title: A Shear-Dependent Investigation of Organic Friction Modifier Films at the Iron Oxide/Oil interface

description: Lubrication ensures the reliable operation of combustion engines whilst also offering a reduction in emissions and fuel consumption. Organic friction modifiers (OFMs) are a common class of friction-reducing additives included in engine lubricants, and are known to adsorb at metal surfaces. However, the exact mechanism by which they operate has yet to be defined. To understand how these additives function at elevated temperatures and under shear, a novel tribometer rig has been developed. In this experiment, the structure of co-adsorbed films of the OFMs oleic acid/ stearyldiethanolamine and oleic acid/glycerol monooleate will be investigated at the iron oxide-dodecane interface using sheared neutron reflectivity. We will characterise the interfacial composition of the competitive, mixed OFM systems as a function of shear rate and temperature.
DOI: 10.5286/isis.e.rb2310325-1
title: A Shear-Dependent Investigation of Organic Friction Modifier Films at the Iron Oxide/Oil interface

description: Lubrication ensures the reliable operation of combustion engines whilst also offering a reduction in emissions and fuel consumption. Organic friction modifiers (OFMs) are a common class of friction-reducing additives included in engine lubricants, and are known to adsorb at metal surfaces. However, the exact mechanism by which they operate has yet to be defined. To understand how these additives function at elevated temperatures and under shear, a novel tribometer rig has been developed. In this experiment, the structure of co-adsorbed films of the OFMs oleic acid/ stearyldiethanolamine and oleic acid/glycerol monooleate will be investigated at the iron oxide-dodecane interface using sheared neutron reflectivity. We will characterise the interfacial composition of the competitive, mixed OFM systems as a function of shear rate and temperature.
DOI: 10.5286/isis.e.rb2320140-1
title: Low-Energy Dynamics in Superionic Argyrodite Single Crystals

description: We aim at studying the ion diffusion and lattice dynamics of Cu7PS6 argyrodite by single crystal samples. The key motivations of the proposed research are as follows: (1) Cu argyrodite Cu7PS6 exhibit very large ionic conductivities, while the key atomistic mechanism of fast ion diffusion is poorly understood. (2) Our group recently points out lattice dynamics plays an important role in the fast diffusion process by combining INS and QENS measurements. Yet, our previous experiments are limited to powder samples, preventing us from directly assessing our simulations of phonon damping and coherent QENS associated with correlated ionic motions. Recently, single crystal of Cu7PS6 is successfully grown by a Bridgman method. Here, we propose to measure the temperature-dependent S(Q,E) on Cu7PS6 single crystal, focusing on low-E phonons and quasi-elastic response (Cu ion diffusion). We plan to probe the strong Q-dependence that modulates the phonon overdamping and the QENS signal to probe the concerted collective hopping behaviors. The proposed measurements will be analyzed with our ab-initio simulations and will be used to benchmark machine-learned neural-net force-fields for accelerated MD simulations. This project will advance our understanding of the origin of superionicity by providing real-space insights into the Q-dependent coherent QENS and selective phonon damping, and also identify the key atomistic processes enabling fast ion diffusion.
DOI: 10.34816/ifao.archives.232667
title: SAQQARA_pv_2004_00706

description: Référence : pv_2004_00706<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/nx6-gpr-pdr
title: Orchis latifolia L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/vyb-15p-70z
title: Leucanthemopsis alpina (L.) Heywood

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310045
title: Impact of the lead lone pair on the local structure of the aikinite-bismuthinite family

description: We have recently identified the aikinite-bismuthinite series, Cu1–x□xPb1–xBi1+xS3 (0 &lt;= x &lt;= 1) as a potential new family of thermoelectric materials with ultralow thermal conductivity (&lt; 0.5 W m-1 K-1). All materials in this series adopt closely related crystal structures, intermediate between those of aikinite (CuPbBiS3) and bismuthinite (Bi2S3). In mineral samples in this series the copper and lead cations are ordered, with the copper cations positioned in tetrahedral sites close to the Pb cations, and this results in the formation of a number of superstructures (e.g. x= 0.33 hammarite; x = 2/3 gladite, x = 0.83 pekoite). By contrast, according to X-ray diffraction data, synthetic samples in this series adopt a cation-deficient aikinite structure, which contains disordered vacancies at the copper site. Our computational and experimental work on the aikinite end member suggests that the interaction between the rattling copper cation and the lone pair of the lead cation is key to understanding the ultralow thermal conductivity of these materials. The large atomic displacement parameters for Cu+ and Pb2+ in aikinite may hint to an underlying distortion at the local scale, which may arise from uncorrelated lone pair stereochemical activity of the Pb2+ cations. Here, we wish to exploit powder neutron total scattering to carry out a pair distribution function (PDF) analysis to investigate the local structure around the copper and lead cations.
DOI: 10.5286/isis.e.rb2310045-1
title: Impact of the lead lone pair on the local structure of the aikinite-bismuthinite family

description: We have recently identified the aikinite-bismuthinite series, Cu1–x□xPb1–xBi1+xS3 (0 &lt;= x &lt;= 1) as a potential new family of thermoelectric materials with ultralow thermal conductivity (&lt; 0.5 W m-1 K-1). All materials in this series adopt closely related crystal structures, intermediate between those of aikinite (CuPbBiS3) and bismuthinite (Bi2S3). In mineral samples in this series the copper and lead cations are ordered, with the copper cations positioned in tetrahedral sites close to the Pb cations, and this results in the formation of a number of superstructures (e.g. x= 0.33 hammarite; x = 2/3 gladite, x = 0.83 pekoite). By contrast, according to X-ray diffraction data, synthetic samples in this series adopt a cation-deficient aikinite structure, which contains disordered vacancies at the copper site. Our computational and experimental work on the aikinite end member suggests that the interaction between the rattling copper cation and the lone pair of the lead cation is key to understanding the ultralow thermal conductivity of these materials. The large atomic displacement parameters for Cu+ and Pb2+ in aikinite may hint to an underlying distortion at the local scale, which may arise from uncorrelated lone pair stereochemical activity of the Pb2+ cations. Here, we wish to exploit powder neutron total scattering to carry out a pair distribution function (PDF) analysis to investigate the local structure around the copper and lead cations.