cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2320140
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: 10.3535/erl-gm2-wcp
title: Smyrnium connatum Boiss. & Kotschy

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220675-1
title: Probing picosecond diffusion of biologics in a supramolecular peptide gel
DOI: 10.5286/isis.e.rb2310275
title: Temperature dependence of the magnetic behaviour of complex concentrated alloys using SANS

description: With the ever-important aim to reduce environmental impact and consumption of strategic elements, new material discovery drives the development of new energy-efficient technologies based on economic and abundant resources. Complex concentrated alloys (CCA) containing multiple, nearly equimolar elements (often the cheaper ones) are currently receiving great attention in innovative alloy design.
Recent studies show that the addition of Al in CoFeNi0.5Cr0.5Alx (x: 0-1.5) CCA leads to a large change in magnetization, due to the Al providing a driving force for segregation, resulting in spherical FeCr rich nanoparticles observed for x=1.0 & 1.5 in an AlCoNi-rich matrix. In temperature-dependent magnetisation data, we observe that all samples have two transitions, the first associated with the AlCoNi-rich phase and the second with the FeCr-rich phase, which has a shoulder at a higher temperature than the main peak hinting at the presence of a third magnetic phase. Our previous ZOOM measurements at 300 K, showed that the nanoparticles have a two phase structure with a high magnetic core region surrounded by a shell with a different chemical composition (presumably Al rich) that is less magnetic than core and average matrix. Thus we would like to study the x =1.0 & 1.5 alloys as a function of temperature, to confirm that these two temperatures are indeed related to the two phase structure and how the magnetic structure of the two components are affected by the transition.
DOI: 10.5286/isis.e.rb2310275-1
title: Temperature dependence of the magnetic behaviour of complex concentrated alloys using SANS

description: With the ever-important aim to reduce environmental impact and consumption of strategic elements, new material discovery drives the development of new energy-efficient technologies based on economic and abundant resources. Complex concentrated alloys (CCA) containing multiple, nearly equimolar elements (often the cheaper ones) are currently receiving great attention in innovative alloy design.
Recent studies show that the addition of Al in CoFeNi0.5Cr0.5Alx (x: 0-1.5) CCA leads to a large change in magnetization, due to the Al providing a driving force for segregation, resulting in spherical FeCr rich nanoparticles observed for x=1.0 & 1.5 in an AlCoNi-rich matrix. In temperature-dependent magnetisation data, we observe that all samples have two transitions, the first associated with the AlCoNi-rich phase and the second with the FeCr-rich phase, which has a shoulder at a higher temperature than the main peak hinting at the presence of a third magnetic phase. Our previous ZOOM measurements at 300 K, showed that the nanoparticles have a two phase structure with a high magnetic core region surrounded by a shell with a different chemical composition (presumably Al rich) that is less magnetic than core and average matrix. Thus we would like to study the x =1.0 & 1.5 alloys as a function of temperature, to confirm that these two temperatures are indeed related to the two phase structure and how the magnetic structure of the two components are affected by the transition.
DOI: 10.34816/ifao.archives.232668
title: SAQQARA_pv_2004_00707

description: Référence : pv_2004_00707<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/73v-bcj-2p2
title: Chrysanthemum coronopifolium Vill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/w31-14r-kl4
title: Orchis latifolia L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220675
title: Probing picosecond diffusion of biologics in a supramolecular peptide gel
DOI: 10.5286/isis.e.rb2310295
title: The PVT Equation of State of Xenon Difluoride (HRPD)

description: The discovery of noble gas compounds in the early 1960s is a landmark in Inorganic Chemistry, but relatively little is known about their response to high pressure. Crystal structures of compounds containing Xe and F contain numerous intermolecular Xe…F interactions which are highly sensitive to pressure. This joint proposal for PEARL and HRPD time will determine the variation of the unit cell volume (V) of XeF2 as a function of pressure (P) and temperature (T) to yield a ‘PVT’ equation of state. The complete PVT characterisation of this simple model compound allows access to numerous thermodynamic relationships, including experimental quantification of the change in lattice energy on compression. The results will provide a detailed picture of both the structural and thermodynamic effects of pressure in a fundamentally important class of inorganic material.
DOI: 10.5286/isis.e.rb2310295-1
title: The PVT Equation of State of Xenon Difluoride (HRPD)

description: The discovery of noble gas compounds in the early 1960s is a landmark in Inorganic Chemistry, but relatively little is known about their response to high pressure. Crystal structures of compounds containing Xe and F contain numerous intermolecular Xe…F interactions which are highly sensitive to pressure. This joint proposal for PEARL and HRPD time will determine the variation of the unit cell volume (V) of XeF2 as a function of pressure (P) and temperature (T) to yield a ‘PVT’ equation of state. The complete PVT characterisation of this simple model compound allows access to numerous thermodynamic relationships, including experimental quantification of the change in lattice energy on compression. The results will provide a detailed picture of both the structural and thermodynamic effects of pressure in a fundamentally important class of inorganic material.
DOI: 10.3535/bnm-zyf-2ga
title: Sequoia sempervirens (D.Don) Endl.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/hsx-46b-fa7
title: Orchidaceae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220540-1
title: Spin fluctuation spectrum in high-quality single crystals of the new iron-based superconductor LuFe2Ge2
DOI: 10.5286/isis.e.rb2329000-1
title: Combined x-ray and neutron investigation into the corrosion behaviour of uranium metal encapsulated in magnox sludge
DOI: 10.5286/isis.e.rb2490012-1
title: Inelastic Neutron Spectrum of Lignosulfonates in Lead Batteries - Proof-of-Principle
DOI: 10.34816/ifao.archives.232669
title: SAQQARA_pv_2004_00708

description: Référence : pv_2004_00708<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/5ng-j0l-10q
title: Leucanthemum graminifolium (L.) Lam.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/gyf-zhb-5e3
title: Leucanthemum adustum (W. D. J. Koch) Gremli

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310721-1
title: Competing polar and antipolar modes as a function of pressure in Li2SrNb2O7

description: Ferroelectric materials possess a permanent electric dipole, the direction of which can be switched through the application of an external electric field, and as such are widely used in electronic devices like infrared sensors. The existence of a permanent electric dipole can often be linked directly to a symmetry-breaking structural distortion, such as the relative movement of oxide and titanium ions in the prototypical ferroelectric BaTiO3, that imbalances the charge distribution in the structure. Such structural distortions also occur in the layered Ruddlesden-Popper phases, A3B2O7, where they can lead to complex behaviours such as hybrid-improper-ferroelectricity, or competing ferroelectric distortions in the different layers. Li2SrNb2O7 has a so-called ’pseudo-Ruddlesden-Popper’ structure and has been shown to have a complicated combination of ferro- and anti-ferroelectric properties. Through chemical doping, the system Li2Sr1−xCax(Nb1−xTax)2O7 shows a complex phase diagram and we look to investigate the effect of physical (rather than chemical) pressure on the 'parent' phase (Li2SrNb2O7) of this intriguing material family.
DOI: 10.5286/isis.e.rb2329000
title: Combined x-ray and neutron investigation into the corrosion behaviour of uranium metal encapsulated in magnox sludge
DOI: 10.3535/gp9-tne-jy0
title: Dactylorhiza majalis subsp. lapponica (Laest. ex Hartm.) H.Sund.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310398
title: The interaction of methyl acetate with HZSM-5.

description: The methanol-to-hydrocarbons (MTH) reaction is an industrial process that converts a cheap feedstock (methanol) into more valuable alkenes and gasoline using a HZSM-5 catalyst. The mechanism has been extensively studied, but the formation of the first C-C bond is still controversial. A recent suggestion was that methyl acetate was a key intermediate in the early stages of the reaction. We wish to investigate the interaction of methyl acetate with the zeolite, in particular the methyl torsion is very sensitive to the local environment. Neutrons are essential, as only with INS is it possible to observe the region below ~1500 cm-1, as the lattice modes result in spectral opacity for infrared spectroscopy. It is in this region, where most of the intramolecular modes occur and, crucially, so do the intermolecular zeolite-methyl acetate modes. TOSCA is the instrument of choice as it provides the best resolution in this region and offers very high signal-to-noise ratio in the region below 300 cm-1 where the methyl torsions occur.
DOI: 10.5286/isis.e.rb2310398-1
title: The interaction of methyl acetate with HZSM-5.

description: The methanol-to-hydrocarbons (MTH) reaction is an industrial process that converts a cheap feedstock (methanol) into more valuable alkenes and gasoline using a HZSM-5 catalyst. The mechanism has been extensively studied, but the formation of the first C-C bond is still controversial. A recent suggestion was that methyl acetate was a key intermediate in the early stages of the reaction. We wish to investigate the interaction of methyl acetate with the zeolite, in particular the methyl torsion is very sensitive to the local environment. Neutrons are essential, as only with INS is it possible to observe the region below ~1500 cm-1, as the lattice modes result in spectral opacity for infrared spectroscopy. It is in this region, where most of the intramolecular modes occur and, crucially, so do the intermolecular zeolite-methyl acetate modes. TOSCA is the instrument of choice as it provides the best resolution in this region and offers very high signal-to-noise ratio in the region below 300 cm-1 where the methyl torsions occur.
DOI: 10.5286/isis.e.rb2310721
title: Competing polar and antipolar modes as a function of pressure in Li2SrNb2O7

description: Ferroelectric materials possess a permanent electric dipole, the direction of which can be switched through the application of an external electric field, and as such are widely used in electronic devices like infrared sensors. The existence of a permanent electric dipole can often be linked directly to a symmetry-breaking structural distortion, such as the relative movement of oxide and titanium ions in the prototypical ferroelectric BaTiO3, that imbalances the charge distribution in the structure. Such structural distortions also occur in the layered Ruddlesden-Popper phases, A3B2O7, where they can lead to complex behaviours such as hybrid-improper-ferroelectricity, or competing ferroelectric distortions in the different layers. Li2SrNb2O7 has a so-called ’pseudo-Ruddlesden-Popper’ structure and has been shown to have a complicated combination of ferro- and anti-ferroelectric properties. Through chemical doping, the system Li2Sr1−xCax(Nb1−xTax)2O7 shows a complex phase diagram and we look to investigate the effect of physical (rather than chemical) pressure on the 'parent' phase (Li2SrNb2O7) of this intriguing material family.
DOI: 10.5286/isis.e.rb2320011-2
title: In situ NPD studies of Porous Metal-Organic Frameworks for Selective Benzene Capture

description: Benzene is one of the most important volatile organic compounds (VOCs) as well as a major indoor air pollutant posing a serious threat to public health due to its carcinogenicity. Furthermore, the separation of benzene and cyclohexane is vital for the production of high-purity cyclohexane in chemical industry. The removal of trace amount of benzene from air or benzene/cyclohexane mixture demands materials with outstanding affinity and capture efficiency. Metal-organic frameworks (MOFs) have shown great potential for toxic gas adsorption and separation. We seek to develop new sorbent materials for the efficient capture of benzene and request 4 days on WISH to study the adsorption behaviour of benzene and cyclohexane molecules in two robust MOF materials (MFM-125 and MFM-125-defect). Introduction of structural defects in MFM-125 has led to exceptionally high adsorption capacity for benzene at low-pressure region and high selectivity for benzene/cyclohexane separation in MFM-125-defect, suggesting the presence of specific host-guest interactions. The understanding of the intermolecular interactions between the porous framework and the hydrocarbon guests will tremendously benefit from the high resolution and the high sensitivity to light elements of neutron powder diffraction at WISH.
DOI: 10.34816/ifao.archives.232670
title: SAQQARA_pv_2004_00709

description: Référence : pv_2004_00709<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/4bh-emc-ysg
title: Asteraceae Dumort.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/yc5-csx-lfh
title: Dactylorhiza majalis subsp. lapponica (Laest. ex Hartm.) H.Sund.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2320181
title: Investigations to improve the thermal stability and magnetization of epitaxial Fe16N2 thin films by alloying with Al and Mn

description: Fe16N2 is known for having a giant saturation magnetization Ms (far above Fe-Co alloy), yet establishing it for high-performance permanent magnet applications is difficult due to its poor thermal stability and low magnetic anisotropy (MA). Fe16N2 can be a viable low-cost and environment friendly alternative due to its formation from the most plentiful elements, provided its thermal stability and MA can be improved while maintaining the high Ms. According to recent theoretical calculations, alloying Fe16N2 by varying the amount of valance electrons can be a successful strategy for simultaneously enhancing the MA and the thermal stability. Al and Mn were reported to be the most efficient dopants among a large range of metals. They are predicted to reduce the formation energy, increase the MA significantly, and preserve high Ms of Fe16N2. In the proposed study, reactive magnetron co-sputtering will be used to deposit epitaxial isotope multilayers of undoped, 5 at.% Al, and 5 at.% Mn doped [Fe15MN2 (5 nm)/57Fe15MN2 (5 nm)]x10 (M = Fe, Al, Mn) samples on MgO (001) substrate. The thermal stability by studying Fe self-diffusion and the Ms will then be assessed concurrently in pristine and vacuum annealed samples employing polarized neutron reflectivity. The obtained data will be utilized to establish the relationship between the dopant, thermal stability, and Ms of Fe16N2 in order to fulfill its potential as a high-performance permanent magnet.
DOI: 10.5286/isis.e.rb2320181-1
title: Investigations to improve the thermal stability and magnetization of epitaxial Fe16N2 thin films by alloying with Al and Mn

description: Fe16N2 is known for having a giant saturation magnetization Ms (far above Fe-Co alloy), yet establishing it for high-performance permanent magnet applications is difficult due to its poor thermal stability and low magnetic anisotropy (MA). Fe16N2 can be a viable low-cost and environment friendly alternative due to its formation from the most plentiful elements, provided its thermal stability and MA can be improved while maintaining the high Ms. According to recent theoretical calculations, alloying Fe16N2 by varying the amount of valance electrons can be a successful strategy for simultaneously enhancing the MA and the thermal stability. Al and Mn were reported to be the most efficient dopants among a large range of metals. They are predicted to reduce the formation energy, increase the MA significantly, and preserve high Ms of Fe16N2. In the proposed study, reactive magnetron co-sputtering will be used to deposit epitaxial isotope multilayers of undoped, 5 at.% Al, and 5 at.% Mn doped [Fe15MN2 (5 nm)/57Fe15MN2 (5 nm)]x10 (M = Fe, Al, Mn) samples on MgO (001) substrate. The thermal stability by studying Fe self-diffusion and the Ms will then be assessed concurrently in pristine and vacuum annealed samples employing polarized neutron reflectivity. The obtained data will be utilized to establish the relationship between the dopant, thermal stability, and Ms of Fe16N2 in order to fulfill its potential as a high-performance permanent magnet.
DOI: 10.5286/isis.e.rb2490010-1
title: Structure analysis of Ni2MnGa magnetic shape memory alloy crystals
DOI: 10.3535/1ne-7ny-5wq
title: Dactylorhiza majalis subsp. lapponica (Laest. ex Hartm.) H.Sund.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/dm7-akp-0jd
title: Asteraceae Dumort.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220560-1
title: Residual stress characterisation of additively manufactured functionally graded steel
DOI: 10.5286/isis.e.rb2310549
title: Floating mitochondrial membrane mimics for investigating apoptosis regulating protein interactions

description: Mitochondrial apoptosis is a programmed suicide mechanism in cells essential for life. Upon oxidative stress, the mitochondrial outer membrane (MOM) undergoes permeabilization, followed by the release of apoptotic factors. This process is tightly regulated by the Bcl-2 protein family at the MOM. In healthy cells, the soluble, pro-apoptitic Bax is neutralized by the anti-apoptotic Bcl-2 embedded in the MOM, but any imbalance in this interaction can cause disorders including cancer. We are using neutron reflectometry to elucidate the function of the Bcl-2 protein family in supported lipid bilayers. In this experiment we will self-assemble floating bilayers from lipid extracts purified from yeast cells that match the human MOM composition closely, to investigate the pore-formation mechanism of Bax and role of cardiolipin in more realistic mimics of the MOM with an aqueous reservoir on both sides as in mitochondria.
DOI: 10.5286/isis.e.rb2310549-2
title: Floating mitochondrial membrane mimics for investigating apoptosis regulating protein interactions

description: Mitochondrial apoptosis is a programmed suicide mechanism in cells essential for life. Upon oxidative stress, the mitochondrial outer membrane (MOM) undergoes permeabilization, followed by the release of apoptotic factors. This process is tightly regulated by the Bcl-2 protein family at the MOM. In healthy cells, the soluble, pro-apoptitic Bax is neutralized by the anti-apoptotic Bcl-2 embedded in the MOM, but any imbalance in this interaction can cause disorders including cancer. We are using neutron reflectometry to elucidate the function of the Bcl-2 protein family in supported lipid bilayers. In this experiment we will self-assemble floating bilayers from lipid extracts purified from yeast cells that match the human MOM composition closely, to investigate the pore-formation mechanism of Bax and role of cardiolipin in more realistic mimics of the MOM with an aqueous reservoir on both sides as in mitochondria.
DOI: 10.34816/ifao.archives.232671
title: SAQQARA_pv_2004_00710

description: Référence : pv_2004_00710<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/mwg-1cm-anz
title: Leucanthemopsis alpina (L.) Heywood

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/yzp-ltn-2jz
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.rb2220560
title: Residual stress characterisation of additively manufactured functionally graded steel
DOI: 10.5286/isis.e.rb2310224
title: Insight into the local coordination environment of water to sodium in Prussian White using neutron total scattering

description: Prussian Blue Analogues (PBAs) are an interesting class of material to use as cathode material in Na-ion batteries, in particular, the Fe-based vacancy-free Na-rich PBA, known as Prussian White (PW, Na2Fe[Fe(CN)6]·zH2O), is a promising candidate. PW exhibits a near room temperature phase transition from P21/n to R-3, which is due to an octahedral tilt transition. In the P21/n model, the water is randomly distributed in a plane, while the ordering of the water is lost when transforming to the R-3 structure. Thus, we propose a neutron total scattering experiment to determine the position of water and the local coordination environment of Na in both room temperature structures as it was not possible from the average structures. The results will aid the understanding of the origin of the octahedral tilt transitions and the role that water plays in these tilt transitions in PW.