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- ItemStudies on Stress Corrosion Cracking of Vit 105 Bulk Metallic Glass(Lausanne : Frontiers Media S.A., 2020) Gebert, A.; Geissler, D.; Pilz, S.; Uhlemann, M.; Davani, F.A.; Hilke, S.; Rösner, H.; Wilde, G.The project “Stress Corrosion Cracking of Zr-based Bulk Metallic Glasses” (SCC of Zr-BMGs) within PP1594 mainly dealt with mechanical–corrosive interactions and failure of this class of metastable materials. It focused on one of the most application-relevant zirconium (Zr)-BMG, Vit(reloy) 105, with composition Zr52.5Cu17.9Ni14.6Al10Ti5 (at.%). Even though this BMG is known as an extraordinary glass former, the metallurgical processing is still a critical issue. In contrast to conventional processing, i.e., arc melting of master alloy ingots from single constituents, a different route using binary pre-alloys for the master alloys production was applied and led to superior mechanical properties upon mechanical testing under tensile and three-point-bending (3PB) conditions in air. As a reference and for a detailed understanding of failure, fracture, and cracking of Zr-based BMG in air, notched specimen 3PB experiments with in situ microscopic observation were done and the still controversial interpretation of the mechanical behavior of BMG in the framework of fracture mechanics was addressed. The specimen from the in situ 3PB tests served for transmission electron microscopy (TEM) investigations on the structural nature of shear bands in BMG on the atomistic scale. Altogether, complete crack paths could be observed and analyzed, and based on this, details of the shear band-driven crack growth are described. While in first SCC studies using a newly developed setup full cross section (3PB) bars were investigated, in recent in situ experiments, notched specimens were tested in 0.01 M NaCl, yielding strong evidence for a catastrophic failure due to hydrogen embrittlement (HE). The known susceptibility to pitting corrosion in halide-containing environments is only the initial stage for failure under SCC conditions. Once pitting is initiated, the local electrode potential is severely reduced. Further, the hydrolysis reaction of oxidized Zr4+ to zirconyl ions ZrO2+ during local BMG dissolution produces H+ and, thus, a local acidic environment that enables proton reduction and hydrogen absorption in the stressed BMG region. The peculiar failure and fracture surface characteristics as well as the proven local reduction of the pH value in the vicinity of the notch during in situ experiments clearly account for the proposed HE-SCC failure mechanism.
- ItemHigh temperature behavior of rual thin films on piezoelectric CTGS and LGS substrates(Basel : MDPI AG, 2020) Seifert, M.This paper reports on a significant further improvement of the high temperature stability of RuAl thin films (110 nm) on the piezoelectric Ca3TaGa3Si2O14 (CTGS) and La3Ga5SiO14 (LGS) substrates. RuAl thin films with AlN or SiO2 cover layers and barriers to the substrate (each 20 nm), as well as a combination of both were prepared on thermally oxidized Si substrates, which serve as a reference for fundamental studies, and the piezoelectric CTGS, as well as LGS substrates. In somefilms, additional Al layers were added. To study their high temperature stability, the samples were annealed in air and in high vacuum up to 900 °C, and subsequently their cross-sections, phase formation, film chemistry, and electrical resistivity were analyzed. It was shown that on thermally oxidized Si substrates, all films were stable after annealing in air up to 800 °C and in high vacuum up to 900 °C. The high temperature stability of RuAl thin films on CTGS substrates was improved up to 900 °C in high vacuum by the application of a combined AlN/SiO2 barrier layer and up to 800 °C in air using a SiO2 barrier. On LGS, the films were only stable up to 600 °C in air; however, a single SiO2 barrier layer was sufficient to prevent oxidation during annealing at 900 °C in high vacuum.
- ItemPhase-enabled metal-organic framework homojunction for highly selective CO2 photoreduction(London : Nature Publishing Group, 2021) Liu, Yannan; Chen, Chuanshuang; Valdez, Jesus; Meira, Debora Motta; He, Wanting; Wang, Yong; Harnagea, Catalin; Lu, Qiongquiong; Guner, Tugrul; Wang, Hao; Liu, Cheng-Hao; Zhang, Qingzhe; Huang, Shengyun; Yurtsever, Aycan; Chaker, Mohamed; Ma, DonglingConversion of clean solar energy to chemical fuels is one of the promising and up-and-coming applications of metal–organic frameworks. However, fast recombination of photogenerated charge carriers in these frameworks remains the most significant limitation for their photocatalytic application. Although the construction of homojunctions is a promising solution, it remains very challenging to synthesize them. Herein, we report a well-defined hierarchical homojunction based on metal–organic frameworks via a facile one-pot synthesis route directed by hollow transition metal nanoparticles. The homojunction is enabled by two concentric stacked nanoplates with slightly different crystal phases. The enhanced charge separation in the homojunction was visualized by in-situ surface photovoltage microscopy. Moreover, the as-prepared nanostacks displayed a visible-light-driven carbon dioxide reduction with very high carbon monooxide selectivity, and excellent stability. Our work provides a powerful platform to synthesize capable metal–organic framework complexes and sheds light on the hierarchical structure-function relationships of metal–organic frameworks.
- ItemExtracting local nucleation fields in permanent magnets using machine learning(Berlin : Springer Nature, 2020) Gusenbauer, Markus; Oezelt, Harald; Fischbacher, Johann; Kovacs, Alexander; Zhao, Panpan; Woodcock, Thomas George; Schrefl, ThomasMicrostructural features play an important role in the quality of permanent magnets. The coercivity is greatly influenced by crystallographic defects, like twin boundaries, as is well known for MnAl-C. It would be very useful to be able to predict the macroscopic coercivity from microstructure imaging. Although this is not possible now, in the present work we examine a related question, namely the prediction of simulated nucleation fields of a quasi-three-dimensional (rescaled and extruded) system constructed from a two-dimensional image. We extract features of the image and analyze them via machine learning. A large number of extruded systems are constructed from 10 × 10 pixel sub-images of an Electron Backscatter Diffraction (EBSD) image using an automated meshing procedure. A local nucleation field is calculated by micromagnetic simulation of each quasi-three-dimensional system. Decision trees, trained with the simulation results, can predict nucleation fields of these quasi-three-dimensional systems from new images within seconds. As for now we cannot quantitatively predict the macroscopic coercivity, nevertheless we can identify weak spots in the magnet and see trends in the nucleation field distribution.
- ItemFabrication of metastable crystalline nanocomposites by flash annealing of Cu47.5Zr47.5Al5 metallic glass using joule heating(Basel : MDPI AG, 2020) Okulov, I.; Soldatov, I.; Kaban, I.; Sarac, B.; Spieckermann, F.; Eckert, J.Flash Joule-heating was applied to the Cu47.5Zr47.5Al5 metallic glass for designing fully crystalline metastable nanocomposites consisting of the metastable B2 CuZr and low-temperature equilibrium Cu10Zr7 phases. The onset of crystallization was in situ controlled by monitoring resistivity changes in the samples. The effect of heating rate and annealing time on the volume fraction of the crystalline phases and mechanical properties of the nanocomposites was studied in detail. Particularly, an increase of the heating rate and a decrease of the annealing time lead to a lower number of equilibrium Cu10Zr7 precipitates and an increase of tensile ductility. Tailoring of these non-equilibrium microstructures and mechanical properties may not be possible unless one starts with a fully glassy material that opens new perspectives for designing metastable nanomaterials with unique physical properties.
- ItemDetermination of fluoride component in the multifunctional refining flux used for recycling aluminum scrap(Amsterdam : Elsevier, 2020) Wan, Bingbing; Li, Wenfang; Liu, Fangfang; Lu, Tiwen; Jin, Shuoxun; Wang, Kang; Yi, Aihua; Tian, Jun; Chen, WeipingIn this paper, the optimum fluoride component in the multifunctional refining flux used for recycling aluminum scrap was determined. Theoretical analysis of solid fluxing shows that strong stripping ability of oxide layer on aluminum surface for the flux and appropriate interfacial tensions between Al melt / inclusion (σM-I), flux / inclusion (σF-I), and flux / Al melt (σF-M) are indispensable for making the flux achieve the properties of covering, drossing, and cleaning simultaneously. In term of four preliminarily selected fluoride salts, i.e., KF, AlF3, K3AlF6 and KAlF4, the results of interfacial tension measurements indicates that, combined addition of A-type fluoride (KF) and B-type fluoride (AlF3, K3AlF6 and KAlF4) to equimolar NaCl-KCl can just offset the shortage of single addition of KF which means worsening the separating effect of flux from melt surface and weakening the wettability of flux on the inclusions due to the lower σF-M and the higher σF-I respectively. Additionally, coalescence behaviors of aluminum droplets in molten fluxes reveals that, KF, K3AlF6 or KAlF4 possesses stronger stripping ability of oxide layer, while the stripping ability of oxide layer for AlF3 is weaker. Ultimately, the combination of KF with K3AlF6 or/and KAlF4 is ascertained to be an optimum selection for fluoride component in the multifunctional refining flux.
- ItemOperational Parameters for Sub-Nano Tesla Field Resolution of PHMR Sensors in Harsh Environments(Basel : MDPI, 2021) Jeon, Taehyeong; Das, Proloy Taran; Kim, Mijin; Jeon, Changyeop; Lim, Byeonghwa; Soldatov, Ivan; Kim, CheolGiThe resolution of planar-Hall magnetoresistive (PHMR) sensors was investigated in the frequency range from 0.5 Hz to 200 Hz in terms of its sensitivity, average noise level, and detectivity. Analysis of the sensor sensitivity and voltage noise response was performed by varying operational parameters such as sensor geometrical architectures, sensor configurations, sensing currents, and temperature. All the measurements of PHMR sensors were carried out under both constant current (CC) and constant voltage (CV) modes. In the present study, Barkhausen noise was revealed in 1/f noise component and found less significant in the PHMR sensor configuration. Under measured noise spectral density at optimized conditions, the best magnetic field detectivity was achieved better than 550 pT/√Hz at 100 Hz and close to 1.1 nT/√Hz at 10 Hz for a tri-layer multi-ring PHMR sensor in an unshielded environment. Furthermore, the promising feasibility and possible routes for further improvement of the sensor resolution are discussed.
- ItemApplications of 2D-Layered Palladium Diselenide and Its van der Waals Heterostructures in Electronics and Optoelectronics(Berlin ; Heidelberg [u.a.] : Springer, 2021) Wang, Y.; Pang, J.; Cheng, Q.; Han, L.; Li, Y.; Meng, X.; Ibarlucea, B.; Zhao, H.; Yang, F.; Liu, H.; Liu, H.; Zhou, W.; Wang, X.; Rümmeli, M.; Zhang, Y.; Cuniberti, G.The rapid development of two-dimensional (2D) transition-metal dichalcogenides has been possible owing to their special structures and remarkable properties. In particular, palladium diselenide (PdSe2) with a novel pentagonal structure and unique physical characteristics have recently attracted extensive research interest. Consequently, tremendous research progress has been achieved regarding the physics, chemistry, and electronics of PdSe2. Accordingly, in this review, we recapitulate and summarize the most recent research on PdSe2, including its structure, properties, synthesis, and applications. First, a mechanical exfoliation method to obtain PdSe2 nanosheets is introduced, and large-area synthesis strategies are explained with respect to chemical vapor deposition and metal selenization. Next, the electronic and optoelectronic properties of PdSe2 and related heterostructures, such as field-effect transistors, photodetectors, sensors, and thermoelectric devices, are discussed. Subsequently, the integration of systems into infrared image sensors on the basis of PdSe2 van der Waals heterostructures is explored. Finally, future opportunities are highlighted to serve as a general guide for physicists, chemists, materials scientists, and engineers. Therefore, this comprehensive review may shed light on the research conducted by the 2D material community.
- ItemPhase Formation, Microstructure and Mechanical Properties of Mg67Ag33 as Potential Biomaterial(Basel : MDPI, 2021) Kosiba, Konrad; Prashanth, Konda Gokuldoss; Scudino, SergioThe phase and microstructure formation as well as mechanical properties of the rapidly solidified Mg67Ag33 (at. %) alloy were investigated. Owing to kinetic constraints effective during rapid cooling, the formation of equilibrium phases is suppressed. Instead, the microstructure is mainly composed of oversaturated hexagonal closest packed Mg-based dendrites surrounded by a mixture of phases, as probed by X-ray diffraction, electron microscopy and energy dispersive X-ray spectroscopy. A possible non-equilibrium phase diagram is suggested. Mainly because of the fine-grained dendritic and interdendritic microstructure, the material shows appreciable mechanical properties, such as a compressive yield strength and Young’s modulus of 245 ± 5 MPa and 63 ± 2 GPa, respectively. Due to this low Young’s modulus, the Mg67Ag33 alloy has potential for usage as biomaterial and challenges ahead, such as biomechanical compatibility, biodegradability and antibacterial properties are outlined.
- ItemImperceptible Supercapacitors with High Area-Specific Capacitance(Weinheim : Wiley-VCH, 2021) Ge, Jin; Zhu, Minshen; Eisner, Eric; Yin, Yin; Dong, Haiyun; Karnaushenko, Dmitriy D.; Karnaushenko, Daniil; Zhu, Feng; Ma, Libo; Schmidt, Oliver G.Imperceptible electronics will make next-generation healthcare and biomedical systems thinner, lighter, and more flexible. While other components are thoroughly investigated, imperceptible energy storage devices lag behind because the decrease of thickness impairs the area-specific energy density. Imperceptible supercapacitors with high area-specific capacitance based on reduced graphene oxide/polyaniline (RGO/PANI) composite electrodes and polyvinyl alcohol (PVA)/H2SO4 gel electrolyte are reported. Two strategies to realize a supercapacitor with a total device thickness of 5 µm—including substrate, electrode, and electrolyte—and an area-specific capacitance of 36 mF cm−2 simultaneously are implemented. First, the void volume of the RGO/PANI electrodes through mechanical compression is reduced, which decreases the thickness by 83% while retaining 89% of the capacitance. Second, the PVA-to-H2SO4 mass ratio is decreased to 1:4.5, which improves the ion conductivity by 5000% compared to the commonly used PVA/H2SO4 gel. Both advantages enable a 2 µm-thick gel electrolyte for planar interdigital supercapacitors. The impressive electromechanical stability of the imperceptible supercapacitors by wrinkling the substrate to produce folds with radii of 6 µm or less is demonstrated. The supercapacitors will be meaningful energy storage modules for future self-powered imperceptible electronics.