cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2400005
title: Magnetic order in Uranium van der Waals magnet

description: We propose an experiment to measure the ground state magnetism in van der Waals 𝛽-UTe3. This material shows a broad transition in susceptibility at 12 K with magnetic hysteresis loops below this temperature, indicating static ferro or ferrimagnetic order. Efforts are underway to exfoliate this compound to a monolayer, but key to discerning its properties is knowledge of its magnetic structure. We therefore propose a single crystal neutron diffraction experiment to measure the ground state magnetism and its evolution with temperature.
DOI: 10.5286/isis.e.rb2400005-1
title: Magnetic order in Uranium van der Waals magnet

description: We propose an experiment to measure the ground state magnetism in van der Waals 𝛽-UTe3. This material shows a broad transition in susceptibility at 12 K with magnetic hysteresis loops below this temperature, indicating static ferro or ferrimagnetic order. Efforts are underway to exfoliate this compound to a monolayer, but key to discerning its properties is knowledge of its magnetic structure. We therefore propose a single crystal neutron diffraction experiment to measure the ground state magnetism and its evolution with temperature.
DOI: 10.5286/isis.e.rb2420252-1
title: Average and local structures of strongly overdoped YBa2Cu3O7+x

description: Recent reports show that some cuprates, such as Cu0.75Mo0.25Sr2YCu2O7+x and Ba2CuO3+x, exhibit high-Tc superconductivity in the 80-90 K range in the strongly overdoped regime, for doping levels p~0.4 hole/Cu or higher, well beyond the superconducting dome, where a conventional Fermi liquid behaviour is rather expected. This surprising result, achieved by means of high-pressure oxygenation, raises the question of whether the holes provided by the extra oxygens, x, contribute to the superfluid density or rather form a phase-separated metallic phase. In order to address this point, we propose to investigate the average and local structures of a series of YBa2Cu3O7+x samples with different oxygen concentrations up to x=0.4 or larger, by means of neutron powder diffraction and pair distribution function analysis. This is required to determine the local order of the extra oxygens, which shall enable us to establish a correlation between x, electronic structure, and normal-state and superconducting properties. In order to carry out a systematic study on 3-4 samples with different x, we should request 4 days of beamtime at POLARIS, which we consider the most appropriate instrument for our purpose considering its higher count rate in the high-Q range relevant to obtain a high-resolution PDF and the limited amount of sample available.
DOI: 10.5286/isis.e.rb2455025
title: Airbus DELTA
DOI: 10.34816/ifao.archives.232856
title: SAQQARA_nb_1994_03332

description: Référence : nb_1994_03332<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/mcw-zzj-074
title: Brassicaceae Burnett

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ygk-n31-49a
title: Scrophularia L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420136-1
title: Characterising XopR during membrane interactions

description: The role of Liquid-liquid phase separation (LLPS) in biology is increasingly recognised. Actin remodelling has been found to involve LLPS, which likely acts to upregulate critical proteins and adjust their activity. Intrinsically disordered protein XopR, which undergoes LLPS at a pH of 7.4, has been found to trigger actin remodelling. Previous NR work performed at ISIS and ANSTO have shown the effect of XoPR on a variety of dueterated lipid membranes in both LLPS and dilute conditions. Here, neutron reflectometry will be used with dueterated XopR to isolated the structrue of XopR on the surface of the membrane.
DOI: 10.5286/isis.e.rb2420252
title: Average and local structures of strongly overdoped YBa2Cu3O7+x

description: Recent reports show that some cuprates, such as Cu0.75Mo0.25Sr2YCu2O7+x and Ba2CuO3+x, exhibit high-Tc superconductivity in the 80-90 K range in the strongly overdoped regime, for doping levels p~0.4 hole/Cu or higher, well beyond the superconducting dome, where a conventional Fermi liquid behaviour is rather expected. This surprising result, achieved by means of high-pressure oxygenation, raises the question of whether the holes provided by the extra oxygens, x, contribute to the superfluid density or rather form a phase-separated metallic phase. In order to address this point, we propose to investigate the average and local structures of a series of YBa2Cu3O7+x samples with different oxygen concentrations up to x=0.4 or larger, by means of neutron powder diffraction and pair distribution function analysis. This is required to determine the local order of the extra oxygens, which shall enable us to establish a correlation between x, electronic structure, and normal-state and superconducting properties. In order to carry out a systematic study on 3-4 samples with different x, we should request 4 days of beamtime at POLARIS, which we consider the most appropriate instrument for our purpose considering its higher count rate in the high-Q range relevant to obtain a high-resolution PDF and the limited amount of sample available.
DOI: 10.34816/ifao.archives.232857
title: SAQQARA_nb_1994_03333

description: Référence : nb_1994_03333<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/7nq-fnl-p0f
title: Digitaria longiflora (Retz.) Pers.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wg9-4t8-z74
title: Brassicaceae Burnett

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420086-1
title: PDF Studies of hexagonal and cubic ices

description: We have successfully applied Hirshfeld Atom Refinement to X-ray diffraction data to determine the average structures of Ice VI [IUCrJ (2022) 9, 573-579] and IceVII (yet unpublished) and hexagonal ice (Ih - HAR refinement of electron diffraction data, in press now). In our previous experiment we obtained excellent data from Pearl which are already refined for ice VII and now being refined for ice VI.By performing neutron PDF studies of hexagonal and cubic ice, we want to establish the local structures of these ices, and compare them with the average structure from HAR. Additionally, we want to use these PDF neutron results for the sake of comparison with X-ray PDF results obtained for the same forms of ice at the same pressure and temperature when spherical and aspherical atomic scattering factors are used. We ahave submitted 3 different project to ESRF to get X-ray PDF data which will complement results of this experiment. We hope that state of the art PDF data will be an excellent reference points and help to develope a new HAR like PDF approach and possibly confirm disorder of both H and O-atoms (which we sometimes observe in our HAR refinements)
DOI: 10.5286/isis.e.rb2420136
title: Characterising XopR during membrane interactions

description: The role of Liquid-liquid phase separation (LLPS) in biology is increasingly recognised. Actin remodelling has been found to involve LLPS, which likely acts to upregulate critical proteins and adjust their activity. Intrinsically disordered protein XopR, which undergoes LLPS at a pH of 7.4, has been found to trigger actin remodelling. Previous NR work performed at ISIS and ANSTO have shown the effect of XoPR on a variety of dueterated lipid membranes in both LLPS and dilute conditions. Here, neutron reflectometry will be used with dueterated XopR to isolated the structrue of XopR on the surface of the membrane.
DOI: 10.5286/isis.e.rb2490276-1
title: Crystal structure of Tb-doped BaF2 and CaF2
DOI: 10.3535/t0e-p1m-gnk
title: Axonopus compressus (Sw.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/txp-10k-6cw
title: Digitaria setigera Roth

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410654
title: Telluride Chalcogenide Superconductor CuIr2Te4 and CuIr2Te3.9I0.1

description: CuIr2Te4 crystallizing in a disordered trigonal structure (space group P-3m1) is a quasi-two-dimensional system and exhibits coexistence of superconductivity (Tc = 2.5 K), and charge density wave transition (TCDW = 250 K). The bulk BCS superconductivity is inferred from the heat capacity which yields a ΔC/γTc ∼ 1.86 which is little higher than the weak-coupling BCS value of 1.43. The Ir-doping at the Te site suppresses the CDW transition and a maximum Tc of 2.95 K is seen for CuIr2Te3.9I0.1 . An interesting phase diagram from complete suppression to revival of CDW transition at higher doping level is displayed for higher x in CuIr2Te4-xIx. We propose to carry µSR measurements on CuIr2Te4 and CuIr2Te3.9I0.1 which will provide valuable information about the superconducting order parameter, and help us understand the superconducting phase diagram of these materials.
DOI: 10.5286/isis.e.rb2410654-1
title: Telluride Chalcogenide Superconductor CuIr2Te4 and CuIr2Te3.9I0.1

description: CuIr2Te4 crystallizing in a disordered trigonal structure (space group P-3m1) is a quasi-two-dimensional system and exhibits coexistence of superconductivity (Tc = 2.5 K), and charge density wave transition (TCDW = 250 K). The bulk BCS superconductivity is inferred from the heat capacity which yields a ΔC/γTc ∼ 1.86 which is little higher than the weak-coupling BCS value of 1.43. The Ir-doping at the Te site suppresses the CDW transition and a maximum Tc of 2.95 K is seen for CuIr2Te3.9I0.1 . An interesting phase diagram from complete suppression to revival of CDW transition at higher doping level is displayed for higher x in CuIr2Te4-xIx. We propose to carry µSR measurements on CuIr2Te4 and CuIr2Te3.9I0.1 which will provide valuable information about the superconducting order parameter, and help us understand the superconducting phase diagram of these materials.
DOI: 10.5286/isis.e.rb2420086
title: PDF Studies of hexagonal and cubic ices

description: We have successfully applied Hirshfeld Atom Refinement to X-ray diffraction data to determine the average structures of Ice VI [IUCrJ (2022) 9, 573-579] and IceVII (yet unpublished) and hexagonal ice (Ih - HAR refinement of electron diffraction data, in press now). In our previous experiment we obtained excellent data from Pearl which are already refined for ice VII and now being refined for ice VI.By performing neutron PDF studies of hexagonal and cubic ice, we want to establish the local structures of these ices, and compare them with the average structure from HAR. Additionally, we want to use these PDF neutron results for the sake of comparison with X-ray PDF results obtained for the same forms of ice at the same pressure and temperature when spherical and aspherical atomic scattering factors are used. We ahave submitted 3 different project to ESRF to get X-ray PDF data which will complement results of this experiment. We hope that state of the art PDF data will be an excellent reference points and help to develope a new HAR like PDF approach and possibly confirm disorder of both H and O-atoms (which we sometimes observe in our HAR refinements)
DOI: 10.34816/ifao.archives.232858
title: SAQQARA_nb_1994_03334

description: Référence : nb_1994_03334<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/bks-s30-s4s
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410544-1
title: Determining how antimicrobial peptides affect the transversal diffusion rate of Cardiolipin, a central component in the bacterial membrane.

description: Antimicrobial peptides (AMPs) are promising alternatives to conventional antibiotics, as they can evade much of the bacterial resistance mechanisms as they do not block specific biochemical pathways, but rather act physically on the cytoplasmic membrane itself. AMPs have been shown to accelerate the transversal lipid diffusion, (lipid flip-flop) in phospholipid bilayers, which is normally very slow and controlled process in bacteria. The resulting lipid scrambling is believed to be fatal for the bacteria and could be central to the AMPs mode of action. Cardiolipin (CL) which is a larger, four tailed lipid is found to be localized at specific domains in the bacterial membrane, and with it’s large size the rate of lipid flip-flop is likely very slow. We propose to use the novel, floating asymmetric membranes developed by Dr. Clifton and coworkers, to systematically characterize the lipid flip-flop of CL-containing membranes, at several temperatures and with the addition of the natural AMPs Indolicidin and LL-37, using Neutron Reflectometry (NR). Having already successfully performed an initial NR experiment, demonstrating the ability to reliably make and characterise asymmetric membranes, we propose to further investigate the system using higher fraction of CL. This will enhance the contrast, and enable us to more reliably track the membrane asymmetry over time and to determine how the AMPs affect the rate of CL flip-flop.
DOI: 10.5286/isis.e.rb2410662
title: Neutron Diffraction Investigations of Electrode Materials in Li- and Na-ion Batteries

description: While diffraction provides indispensable crystallographic information, neutron imaging plays an important role in tracking the spatial dynamics of various components, such as Li metal, Li ions, Li salt, the hydrogen in the electrolyte, and the gases generated within various battery configurations and chemical compositions. It provides a unique insight into the dynamics of Li transport during charge and discharge [11,12].
DOI: 10.5286/isis.e.rb2410662-1
title: Neutron Diffraction Investigations of Electrode Materials in Li- and Na-ion Batteries

description: While diffraction provides indispensable crystallographic information, neutron imaging plays an important role in tracking the spatial dynamics of various components, such as Li metal, Li ions, Li salt, the hydrogen in the electrolyte, and the gases generated within various battery configurations and chemical compositions. It provides a unique insight into the dynamics of Li transport during charge and discharge [11,12].
DOI: 10.3535/dvn-gdy-d6q
title: Ceratocephala falcata (L.) Pers.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/g7t-gga-jpg
title: Sisymbrium orientale L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410544
title: Determining how antimicrobial peptides affect the transversal diffusion rate of Cardiolipin, a central component in the bacterial membrane.

description: Antimicrobial peptides (AMPs) are promising alternatives to conventional antibiotics, as they can evade much of the bacterial resistance mechanisms as they do not block specific biochemical pathways, but rather act physically on the cytoplasmic membrane itself. AMPs have been shown to accelerate the transversal lipid diffusion, (lipid flip-flop) in phospholipid bilayers, which is normally very slow and controlled process in bacteria. The resulting lipid scrambling is believed to be fatal for the bacteria and could be central to the AMPs mode of action. Cardiolipin (CL) which is a larger, four tailed lipid is found to be localized at specific domains in the bacterial membrane, and with it’s large size the rate of lipid flip-flop is likely very slow. We propose to use the novel, floating asymmetric membranes developed by Dr. Clifton and coworkers, to systematically characterize the lipid flip-flop of CL-containing membranes, at several temperatures and with the addition of the natural AMPs Indolicidin and LL-37, using Neutron Reflectometry (NR). Having already successfully performed an initial NR experiment, demonstrating the ability to reliably make and characterise asymmetric membranes, we propose to further investigate the system using higher fraction of CL. This will enhance the contrast, and enable us to more reliably track the membrane asymmetry over time and to determine how the AMPs affect the rate of CL flip-flop.
DOI: 10.5286/isis.e.rb2420133
title: Investigating Changes in Lattice Dynamics from Post-Synthesis Treatment Processes using Inelastic Neutron Scattering

description: Sulphide superionic materials are candidate electrolytes for all-solid-state batteries. Inelastic neutron scattering (INS) is sought to investigate changes to the phonon band structure in three Li6PS5Cl electrolytes prepared by different methods; a standard cold pressed electrolyte and two differently heat-treated electrolytes. Changes to the vibrational landscape of solid electrolytes can drastically change the prefactors which govern ionic conductivity. The ionic conductivity of the heat treated Li6PS5Cl samples are substantially greater than that of the commercial cold pressed material. All other terms in the prefactor for conduction have been measured before and after processing. INS will allow us to collect the final prefactor term, giving us an insight into the lattice dynamics and thus material performance.
DOI: 10.5286/isis.e.rb2420133-1
title: Investigating Changes in Lattice Dynamics from Post-Synthesis Treatment Processes using Inelastic Neutron Scattering

description: Sulphide superionic materials are candidate electrolytes for all-solid-state batteries. Inelastic neutron scattering (INS) is sought to investigate changes to the phonon band structure in three Li6PS5Cl electrolytes prepared by different methods; a standard cold pressed electrolyte and two differently heat-treated electrolytes. Changes to the vibrational landscape of solid electrolytes can drastically change the prefactors which govern ionic conductivity. The ionic conductivity of the heat treated Li6PS5Cl samples are substantially greater than that of the commercial cold pressed material. All other terms in the prefactor for conduction have been measured before and after processing. INS will allow us to collect the final prefactor term, giving us an insight into the lattice dynamics and thus material performance.
DOI: 10.3535/233-kxr-6td
title: Calepina irregularis (Asso) Thell.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/6sk-22l-tsf
title: Crupina crupinastrum (Moris) Vis.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410198-2
title: High temperature residual stress and micromechanics of WC-Ni cemented carbides

description: Cemented carbides, known as hardmetals, are composite materials prized for their outstanding hardness, strength, and wear resistance. They find wide applications in manufacturing tools and various industrial components. Traditionally, cobalt has been the main metallic binder, but due to its toxicity and high cost, nickel alloys are emerging as viable alternatives,
Undestianding the degradation phenomena is key to enhance performance. This is especially critical at the microscale, where defects can lead to component failure. Residual stresses resulting from thermal expansion differences between constituents play a crucial role in the micromechanical behavior of these materials. Neutron diffraction, particularly with high atomic number materials like tungsten, is the preferred technique for measuring such stresses. 
We have developed a FEM model, based on realistic microstructure reconstructions obtained through FIB tomography, to accurately model thermal stresses and strain partition. However, real-world applications often expose cutting tools to elevated temperatures, which necessitates a specific level of toughness and fatigue resistance. The proposal seeks to use Engin-X neutron diffraction to explore strain partition in a WC-10wt%Ni sample under compressive load at high temperatures. The resulting data will be integrated with the micromechanical model of residual stresses, offering valuable insights into material behavior and potential areas of improvement.
DOI: 10.5286/isis.e.rb2410426
title: Inelastic scattering study of UTe2 using thermal neutrons

description: Heavy fermion superconductor UTe2 has attracted intense interest due to its unique phenomenology and promising status as a candidate topological superconductor. The material’s low energy inelastic spectrum has been studied extensively, but the system has not yet been studied using thermal neutrons. The phonons are of particular interest as they may provide key insight into various anomalous behaviors exhibited by UTe2. This includes the unique charge density wave (CDW) revealed by STM experiments for which no evidence has been found in the bulk of the material. A CDW can appear in neutron scattering experiments via distinct anomalies in the phonon spectrum. A phonon measurement would also provide new information about 5f hybridization and may aid in interpreting various anomalies in thermal expansion and ultrasonic measurements. Merlin’s favorable scattering geometry and unique multi-Ei capabilities make it the ideal instrument for the proposed experiment.
DOI: 10.5286/isis.e.rb2410426-1
title: Inelastic scattering study of UTe2 using thermal neutrons

description: Heavy fermion superconductor UTe2 has attracted intense interest due to its unique phenomenology and promising status as a candidate topological superconductor. The material’s low energy inelastic spectrum has been studied extensively, but the system has not yet been studied using thermal neutrons. The phonons are of particular interest as they may provide key insight into various anomalous behaviors exhibited by UTe2. This includes the unique charge density wave (CDW) revealed by STM experiments for which no evidence has been found in the bulk of the material. A CDW can appear in neutron scattering experiments via distinct anomalies in the phonon spectrum. A phonon measurement would also provide new information about 5f hybridization and may aid in interpreting various anomalies in thermal expansion and ultrasonic measurements. Merlin’s favorable scattering geometry and unique multi-Ei capabilities make it the ideal instrument for the proposed experiment.
DOI: 10.3535/jj2-6n0-y0b
title: Geranium robertianum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/s06-4st-7gv
title: Viola pubescens Aiton

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.