Repository for natural sciences and technology

The repository is used for the free publication of scientific publications from the fields of natural sciences and technology in the sense of Open Access and is open to all authors. The publications placed in the repository are permanently freely available and citable worldwide. The repository is operated by the Technical Information Library (TIB).
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    Shaping Digital Transformation for a Sustainable Society: Contributions from Bits & Bäume
    (Berlin : Technische Universität Berlin, 2023) Jankowski, Patricia; Höfner, Anja; Hoffmann, Marja Lena; Rohde, Friederike; Rehak, Rainer; Graf, Johanna
    The second ‹Bits & Bäume› conference took place in Berlin in 2022. Once again, it provided a space for critical tech and sustainability communities to share ideas and collaborate towards the common goal of shaping digitalisation to foster sustainability. This companion book compiles the insights, work, research and opinions of more than 65 authors with a ‹Bits & Bäume› background, including practitioners, researchers and activists. The articles included in this journal demonstrate the progress made in merging ‹Bits› and ‹Bäume› (Trees) topics since our first publication in 2019 by addressing different sub-areas of the intersections between digitalisation and sustainability. Encompassing a wide range of topics, the articles delve into pressing challenges such as the resource consumption, power implications and democratic governance of digital infrastructures, AI, blockchains, mobile apps, and other software applications, as well as the need to address the unsustainable practices and paradigms of e.g., the platform economy. Offering not only transparency but also solutions, the journal presents practical approaches and concepts related to the necessary transformation, such as the Computer Science for Future programme. It also contains articles commenting on current political developments, such as the EU legislation on sustainability and freedom-related aspects of ICT devices. Further articles highlight the power of and need for an active civil society, aiming to inspire activism. This journal caters for everyone: Are you just getting into the topics around Bits & Bäume? Have you been involved in this field for many years, or are you an expert in one of the areas touched on here? In this journal you will find both introductory topics, such as illustrations on the challenges of today's digitalised society, and also advanced topics, such as conceptual and regulatory discussions. Whatever your background, we think you’ll enjoy the read, learn something new on the way, and get inspired. Ultimately, we are all united by the overarching goal of shaping digitalisation as part of a necessary socio-ecological change; one which contributes to a sustainable and just society.
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    Acid Treatments of Ti-Based Metallic Glasses for Improving Corrosion Resistance in Implant Applications
    (Basel : MDPI, 2024) Fernández-Navas, Nora; Shtefan, Viktoriia; Hantusch, Martin; Gebert, Annett
    Ti-based bulk metallic glasses are promising materials for metallic bone implants, mainly due to their mechanical biofunctionality. A major drawback is their limited corrosion resistance, with high sensitivity to pitting. Thus, effective surface treatments for these alloys must be developed. This work investigates the electrochemical treatment feasibility of nitric acid (HNO3) solution for two bulk glass-forming alloys. The surface states obtained at different anodic potentials are characterized with electron microscopy and Auger electron spectroscopy. The corrosion behavior of the treated glassy alloys is analyzed via comparison to non-treated states in phosphate-buffered saline solution (PBS) at 37 °C. For the glassy Ti47Zr7.5Cu38Fe2.5Sn2Si1Ag2 alloy, the pre-treatment causes pseudo-dealloying, with a transformation from naturally passivated surfaces to Ti- and Zr-oxide nanoporous layers and Cu-species removal from the near-surface regions. This results in effective suppression of chloride-induced pitting in PBS. The glassy Ti40Zr10Cu34Pd14Sn2 alloy shows lower free corrosion activity in HNO3 and PBS due to Pd stabilizing its strong passivity. However, this alloy undergoes pitting under anodic conditions. Surface pre-treatment results in Cu depletion but causes enrichment of Pd species and non-homogeneous surface oxidation. Therefore, for this glassy alloy, pitting cannot be completely inhibited in PBS. Concluding, anodic treatments in HNO3 are more suitable for Pd-free glassy Ti-based alloys.
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    Suppression of nematicity by tensile strain in multilayer FeSe/SrTiO3 films
    (College Park, MD : APS, 2023) Lou, Rui; Suvorov, Oleksandr; Grafe, Hans-Joachim; Kuibarov, Andrii; Krivenkov, Maxim; Rader, Oliver; Büchner, Bernd; Borisenko, Sergey; Fedorov, Alexander
    The nematicity in multilayer FeSe/SrTiO3 films has been previously suggested to be enhanced with decreasing film thickness. Motivated by this, there have been many discussions about the competing relation between nematicity and superconductivity. However, the criterion for determining the nematicity strength in FeSe remains highly debated. The understanding of nematicity as well as its relation to superconductivity in FeSe films is therefore still controversial. Here, we fabricate multilayer FeSe/SrTiO3 films using molecular beam epitaxy and study the nematic properties by combining angle-resolved photoemission spectroscopy, Se77 nuclear magnetic resonance, and scanning tunneling microscopy experiments. We unambiguously demonstrate that, near the interface, the nematic order is suppressed by the SrTiO3-induced tensile strain; in the bulk region further away from the interface, the strength of nematicity recovers to the bulk value. Our results not only solve the recent controversy about the nematicity in multilayer FeSe films, but also offer valuable insights into the relationship between nematicity and superconductivity.
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    Steering of Vortices by Magnetic Field Tilting in Open Superconductor Nanotubes
    (Basel : MDPI, 2024) Bogush, Igor; Fomin, Vladimir M.; Dobrovolskiy, Oleksandr V.
    In planar superconductor thin films, the places of nucleation and arrangements of moving vortices are determined by structural defects. However, various applications of superconductors require reconfigurable steering of fluxons, which is hard to realize with geometrically predefined vortex pinning landscapes. Here, on the basis of the time-dependent Ginzburg–Landau equation, we present an approach for the steering of vortex chains and vortex jets in superconductor nanotubes containing a slit. The idea is based on the tilting of the magnetic field (Formula presented.) at an angle (Formula presented.) in the plane perpendicular to the axis of a nanotube carrying an azimuthal transport current. Namely, while at (Formula presented.), vortices move paraxially in opposite directions within each half-tube; an increase in (Formula presented.) displaces the areas with the close-to-maximum normal component (Formula presented.) to the close(opposite)-to-slit regions, giving rise to descending (ascending) branches in the induced-voltage frequency spectrum (Formula presented.). At lower B values, upon reaching the critical angle (Formula presented.), the close-to-slit vortex chains disappear, yielding (Formula presented.) of the (Formula presented.) type ((Formula presented.) : an integer; (Formula presented.) : the vortex nucleation frequency). At higher B values, (Formula presented.) is largely blurry because of multifurcations of vortex trajectories, leading to the coexistence of a vortex jet with two vortex chains at (Formula presented.). In addition to prospects for the tuning of GHz-frequency spectra and the steering of vortices as information bits, our findings lay the foundation for on-demand tuning of vortex arrangements in 3D superconductor membranes in tilted magnetic fields.
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    Designing Gallium-Containing Hydroxyapatite Coatings on Low Modulus Beta Ti-45Nb Alloy
    (Basel : MDPI, 2023) Vishnu, Jithin; Voss, Andrea; Hoffmann, Volker; Alberta, Ludovico Andrea; Akman, Adnan; Shankar, Balakrishnan; Gebert, Annett; Calin, Mariana
    Low-modulus β-type Ti-45Nb alloy is a promising implant material due to its good mechanical biocompatibility, non-toxicity, and outstanding corrosion resistance. Its excellent chemical stability brings new challenges to chemical surface modification treatments, which are indispensable for both osteogenesis and antibacterial performance. Coatings containing metal ions as anti-microbial agents can be an effective way to reduce implant-associated infections caused by bacterial biofilm. Gallium ion (Ga3+) has the potential to reduce bacterial viability and biofilm formation on implant surfaces. In this study, a novel two-step process has been proposed for Ga3+ incorporation in hydroxyapatite (HAP) to develop bioactive and antibacterial surfaces on Ti-45Nb alloy. For the generation of bioactive surface states, HAP electrodeposition was conducted, followed by wet chemical immersion treatments in gallium nitrate (1 mM). Different buffers such as phosphate, sodium bicarbonate, ammonium acetate, and citrate were added to the solution to maintain a pH value in the range of 6.5–6.9. Coating morphology and HAP phases were retained after treatment with gallium nitrate, and Ga3+ ion presence on the surface up to 1 wt.% was confirmed. Combining Ga and HAP shows great promise to enable the local delivery of Ga3+ ions and consequent antibacterial protection during bone regeneration, without using growth factors or antibiotics.
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    Anharmonic strong-coupling effects at the origin of the charge density wave in CsV3Sb5
    ([London] : Nature Publishing Group UK, 2024) He, Ge; Peis, Leander; Cuddy, Emma Frances; Zhao, Zhen; Li, Dong; Zhang, Yuhang; Stumberger, Romona; Moritz, Brian; Yang, Haitao; Gao, Hongjun; Devereaux, Thomas Peter; Hackl, Rudi
    The formation of charge density waves is a long-standing open problem, particularly in dimensions higher than one. Various observations in the vanadium antimonides discovered recently further underpin this notion. Here, we study the Kagome metal CsV3Sb5 using polarized inelastic light scattering and density functional theory calculations. We observe a significant gap anisotropy with 2Δmax/kBTCDW≈20, far beyond the prediction of mean-field theory. The analysis of the A1g and E2g phonons, including those emerging below TCDW, indicates strong phonon-phonon coupling, presumably mediated by a strong electron-phonon interaction. Similarly, the asymmetric Fano-type lineshape of the A1g amplitude mode suggests strong electron-phonon coupling below TCDW. The large electronic gap, the enhanced anharmonic phonon-phonon coupling, and the Fano shape of the amplitude mode combined are more supportive of a strong-coupling phonon-driven charge density wave transition than of a Fermi surface instability or an exotic mechanism in CsV3Sb5.
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    Stochastic field dynamics in models of spontaneous unitarity violation
    (Amsterdam : SciPost Foundation, 2024) Mertens, Lotte; Wesseling, Matthijs; van Wezel, Jasper
    Objective collapse theories propose a solution to the quantum measurement problem by predicting deviations from Schrödinger's equation that can be tested experimentally. A class of objective theories based on spontaneous unitarity violation was recently introduced, in which the stochastic field required for obtaining Born's rule does not depend on the state of the system being measured. Here, we classify possible models for the stochastic field dynamics in theories of spontaneous unitarity violation. We show that for correlated stochastic dynamics, the field must be defined on a closed manifold. In two or more dimensions, it is then always possible to find stochastic dynamics yielding Born's rule, independent of the state being measured or the correlation time of the stochastic field. We show that the models defined this way are all isomorphic to the definition on a two-sphere, which we propose to be a minimal physical model for the stochastic field in models of spontaneous unitarity violation.
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    Phonon thermal transport shaped by strong spin-phonon scattering in a Kitaev material Na2Co2TeO6
    ([London] : Nature Publishing Group, 2024) Hong, Xiaochen; Gillig, Matthias; Yao, Weiliang; Janssen, Lukas; Kocsis, Vilmos; Gass, Sebastian; Li, Yuan; Wolter, Anja U. B.; Büchner, Bernd; Hess, Christian
    The report of a half-quantized thermal Hall effect and oscillatory structures in the magnetothermal conductivity in the Kitaev material α-RuCl3 have sparked a strong debate on whether it is generated by Majorana fermion edge currents, spinon Fermi surface, or whether other more conventional mechanisms are at its origin. Here, we report low temperature thermal conductivity (κ) of another candidate Kitaev material, Na2Co2TeO6. The application of a magnetic field (B) along different principal axes of the crystal reveals a strong directional-dependent B impact on κ, while no evidence for mobile quasiparticles except phonons can be concluded at any field. Instead, severely scattered phonon transport prevails across the B−T phase diagram, revealing cascades of phase transitions for all B directions. Our results thus cast doubt on recent proposals for significant itinerant magnetic excitations in Na2Co2TeO6, and emphasize the importance of discriminating true spin liquid transport properties from scattered phonons in candidate materials.
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    Dataset on permeability of wings from owls and non-silently flying birds
    (Amsterdam [u.a.] : Elsevier, 2024) Geyer, Thomas F.; Windisch, Thomas; Fritzsche, Christoph; Sarradj, Ennes
    The very soft and flow-permeable plumage is among the special adaptations of the owl that the silent flight is attributed to. Using a specially designed apparatus that provides a low-speed volume flow of air through a small sample of porous material, measurements of the air flow permeability were performed in accordance to ISO 9053 on a total of 39 prepared wing specimen from six different bird species, including three species of silently flying owls and three non-silently flying bird species. The resulting data set described in the present paper contains the static airflow resistance measured at different positions on the wing.
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    Nd─Nd Bond in Ih and D5h Cage Isomers of Nd2@C80 Stabilized by Electrophilic CF3 Addition
    (Weinheim : Wiley-VCH, 2023) Yang, Wei; Velkos, Georgios; Rosenkranz, Marco; Schiemenz, Sandra; Liu, Fupin; Popov, Alexey A.
    Synthesis of molecular compounds with metal–metal bonds between 4f elements is recognized as one of the fascinating milestones in lanthanide metallochemistry. The main focus of such studies is on heavy lanthanides due to the interest in their magnetism, while bonding between light lanthanides remains unexplored. In this work, the Nd─Nd bonding in Nd-dimetallofullerenes as a case study of metal–metal bonding between early lanthanides is demonstrated. Combined experimental and computational study proves that pristine Nd2@C80 has an open shell structure with a single electron occupying the Nd─Nd bonding orbital. Nd2@C80 is stabilized by a one-electron reduction and further by the electrophilic CF3 addition to [Nd2@C80]−. Single-crystal X-ray diffraction reveals the formation of two Nd2@C80(CF3) isomers with D5h-C80 and Ih-C80 carbon cages, both featuring a single-electron Nd─Nd bond with the length of 3.78–3.79 Å. The mutual influence of the exohedral CF3 group and endohedral metal dimer in determining the molecular structure of the adducts is analyzed. Unlike Tb or Dy analogs, which are strong single-molecule magnets with high blocking temperature of magnetization, the slow relaxation of magnetization in Nd2@Ih-C80(CF3) is detectable via out-of-phase magnetic susceptibility only below 3 K and in the presence of magnetic field.