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- ItemA novel approach to fabricate load-bearing Ti6Al4V-Barium titanate piezoelectric bone scaffolds by coupling electron beam melting and field-assisted sintering(Amsterdam [u.a.] : Elsevier Science, 2022) Riaz, Abdullah; Polley, Christian; Lund, Henrik; Springer, Armin; Seitz, HermannA critical-size bone defect in load-bearing areas is a challenging clinical problem in orthopaedic surgery. Titanium alloy (Ti6Al4V) scaffolds have advantages because of their biomechanical stability but lack electrical activity, which hinders their further use. This work is focused on the fabrication of Ti6Al4V-Barium Titanate (BaTiO3) bulk composite scaffolds to combine the biomechanical stability of Ti6Al4V with electrical activity through BaTiO3. For the first time, a hollow cylindrical Ti6Al4V is additively manufactured by electron beam melting and combined with piezoelectric BaTiO3 powder for joint processing in field-assisted sintering. Scanning electron microscope images on the interface of the Ti6Al4V-BaTiO3 composite scaffold showed that after sintering, the Ti6Al4V lattice structure bounded with BaTiO3 matrix without its major deformation. The Ti6Al4V-BaTiO3 scaffold had average piezoelectric constants of (0.63 ± 0.12) pC/N directly after sintering due to partial dipole alignment of the BaTiO3 tetragonal phase, which increased to (4.92 ± 0.75) pC/N after a successful corona poling. Moreover, the nanoindentation values of Ti6Al4V exhibited an average hardness and Young's modulus of (5.9 ± 0.9) GPa and (130 ± 14) GPa, and BaTiO3 showed (4.0 ± 0.6) GPa and (106 ± 10) GPa, respectively. It reveals that the Ti6Al4V is the harder and stiffer part in the Ti6Al4V-BaTiO3 composite scaffold. Such a scaffold has the potential to treat critical-size bone defects in load-bearing areas and guide tissue regeneration by physical stimulation.
- ItemA promising approach to low electrical percolation threshold in PMMA nanocomposites by using MWCNT-PEO predispersions(Oxford : Elsevier Science, 2016) Mir, Seyed Mohammad; Jafari, Seyed Hassan; Khonakdar, Hossein Ali; Krause, Beate; Pötschke, Petra; Taheri Qazvini, NaderElectrical conductive poly(methyl methacrylate) (PMMA) nanocomposites with low percolation threshold are very challenging to be prepared. Here, we show that the miscibility between poly(ethylene oxide) (PEO) as matrix for predispersions of multi-walled carbon nanotubes (MWCNTs) and PMMA represents an efficient approach to achieve very low electrical percolation threshold. PMMA/PEO-MWCNTs nanocomposites were prepared by a two-step solution casting method involving pre-mixing of MWCNTs with PEO and then mixing of PEO-MWCNTs with PMMA, resulting in a PMMA/PEO ratio of 80/20 wt%. The electrical percolation threshold (EPT) value was determined to be ~ 0.07 wt% which is significantly lower than most of the reported EPT values in the literature for PMMA/CNT composites. The very low electrical percolation threshold was attributed to the effectual role of PEO in self-assembly of secondary structures of nanotubes into an electrically conductive network. This was further confirmed by transmission electron microscopy and by comparing the obtained EPT value with the prediction of the excluded volume model in which statistical percolation threshold is defined based on uniform distribution of high-aspect ratio sticks in a matrix. Moreover, based on UV–Vis measurements and linear viscoelastic rheological measurements, optical and rheological percolation thresholds were obtained at nearly 0.01 wt% and 0.5 wt%, respectively.
- ItemMachine learning for additive manufacturing: Predicting materials characteristics and their uncertainty(Amsterdam [u.a.] : Elsevier Science, 2023) Chernyavsky, Dmitry; Kononenko, Denys Y.; Han, Jun Hee; Kim, Hwi Jun; van den Brink, Jeroen; Kosiba, KonradAdditive manufacturing (AM) is known for versatile fabrication of complex parts, while also allowing the synthesis of materials with desired microstructures and resulting properties. These benefits come at a cost: process control to manufacture parts within given specifications is very challenging due to the relevance of a large number of processing parameters. Efficient predictive machine learning (ML) models trained on small datasets, can minimize this cost. They also allow to assess the quality of the dataset inclusive of uncertainty. This is important in order for additively manufactured parts to meet property specifications not only on average, but also within a given variance or uncertainty. Here, we demonstrate this strategy by developing a heteroscedastic Gaussian process (HGP) model, from a dataset based on laser powder bed fusion of a glass-forming alloy at varying processing parameters. Using amorphicity as the microstructural descriptor, we train the model on our Zr52.5Cu17.9Ni14.6Al10Ti5 (at.%) alloy dataset. The HGP model not only accurately predicts the mean value of amorphicity, but also provides the respective uncertainty. The quantification of the aleatoric and epistemic uncertainty contributions allows to assess intrinsic inaccuracies of the dataset, as well as identify underlying physical phenomena. This HGP model approach enables to systematically improve ML-driven AM processes.
- ItemLaser powder bed fusion of a superelastic Cu-Al-Mn shape memory alloy(Amsterdam [u.a.] : Elsevier Science, 2021) Babacan, N.; Pauly, S.; Gustmann, T.Dense and crack-free specimens of the shape memory alloy Cu71.6Al17Mn11.4 (at.%) were produced via laser powder bed fusion across a wide range of process parameters. The microstructure, viz. grain size, can be directly tailored within the process and with it the transformation temperatures (TTs) shifted to higher values by raising the energy input. The microstructure, and the superelastic behavior of additively manufactured samples were assessed by a detailed comparison with induction melted material. The precipitation of the α phase, which inhibit the martensitic transformation, were not observed in the additively manufactured samples owing to the high intrinsic cooling rates during the fabrication process. Fine columnar grains with a strong [001]-texture along the building direction lead to an enhanced yield strength compared to the coarse-grained cast samples. A maximum recoverable strain of 2.86% was observed after 5% compressive loading. The first results of our approach imply that laser powder bed fusion is a promising technique to directly produce individually designed Cu-Al-Mn shape memory parts with a pronounced superelasticity at room temperature.
- ItemControlled synthesis of mussel-inspired Ag nanoparticle coatings with demonstrated in vitro and in vivo antibacterial properties(Amsterdam [u.a.] : Elsevier Science, 2021) Wang, Xiaowei; Xu, Kehui; Cui, Wendi; Yang, Xi; Maitz, Manfred F.; Li, Wei; Li, Xiangyang; Chen, JialongThe in-situ formation of silver nanoparticles (AgNPs) via dopamine-reduction of Ag+ has been widely utilized for titanium implants to introduce antibacterial properties. In previous studies, the preparation of AgNPs has focused on controlling the feeding concentrations, while the pH of the reaction solution was ignored. Herein, we systematically determined the influence of various pH (4, 7, 10) and Ag+ concentrations (0.01, 0.1 mg/mL) on the AgNPs formation, followed by the evaluation of the antibacterial properties in vitro and in vivo. The results revealed that an alkaline environment was favourable for AgNP formation and resulted in more particles. Although the AgNPs bearing Ti had lower biocompatibilities, it was significantly improved after 7 days of mineralization in simulated body fluid. The outstanding antibacterial property of the AgNPs was well maintained after one day and seven days of implantation. Moreover, 3D micro-CT modelling showed that the pH 10/0.1 group exhibited remarkable osteogenesis, which may be due to their strong antibacterial properties and ability to promote mineralization. Therefore, we have demonstrated that the solution pH was as important as the feeding Ag+ concentration in determining AgNP formation, and it has paved the way for developing various AgNP-loaded surfaces that could meet different antibacterial needs.
- ItemPhase and grain size engineering in Ge-Sb-Te-O by alloying with La-Sr-Mn-O towards improved material properties(Oxford : Elsevier Science, 2020) Kraft, Nikolas; Wang, Guoxiang; Bryja, Hagen; Prager, Andrea; Griebel, Jan; Lotnyk, AndriyGe-Sb-Te alloys are promising materials for non-volatile memory applications. Alloying of the materials with various elements is considered as prospective approach to enhance material properties. This work reports on the preparation and characterization of pure Ge-Sb-Te-O (GSTO) and alloyed with La-Sr-Mn-O (LSMO) thin films. Thermal heating of amorphous thin films to different temperatures show distinct crystallization behavior. A general trend is the decrease in the size of GSTO crystallites and the suppression in the formation of stable trigonal GSTO phase with increasing content of LSMO. Microstructural studies by transmission electron microscopy show the formation of metastable GSTO nanocrystallites dispersed in the amorphous matrix. Analysis of local chemical bonding by X-ray spectroscopy reveal the presence of different oxides in the GSTO-LSMO composites. Moreover, the composites with a high LSMO content exhibit higher crystallization temperature and significant larger sheet resistance in amorphous and crystalline phase, while a memory device made of GSTO-LSMO alloy reveals bipolar switching and synaptic behavior. In addition, the amount of LSMO in GSTO-LSMO thin films influences their optical properties and band gap. Overall, the results of this work reveal the highly promising potential of GSTO-LSMO nanocomposites for data storage and reconfigurable photonic applications as well as neuro-inspired computing.
- ItemGreenhouse gas emissions from broiler manure treatment options are lowest in well-managed biogas production(Amsterdam [u.a.] : Elsevier Science, 2020) Kreidenweis, Ulrich; Breier, Jannes; Herrmann, Christiane; Libra, Judy; Prochnow, AnnetteThe production of broiler meat has increased significantly in the last decades in Germany and worldwide, and is projected to increase further in the future. As the number of animals raised increases, so too does the amount of manure produced. The identification of manure treatment options that cause low greenhouse gas emissions becomes ever more important. This study compares four treatment options for broiler manure followed by field spreading: storage before distribution, composting, anaerobic digestion in a biogas plant and production of biochar. For these options potential direct and indirect greenhouse gas emissions were assessed for the situation in Germany. Previous analyses have shown that greenhouse gas balances of manure management are often strongly influenced by a small number of processes. Therefore, in this study major processes were represented with several variants and the sensitivity of model results to different management decisions and uncertain parameters was assessed. In doing so, correlations between processes were considered, in which higher emissions earlier on in the process chain reduce emissions later. The results show that biogas production from broiler manure leads to the lowest greenhouse gas emissions in most of the analysed cases, mainly due to the emission savings related to the substitution of mineral fertilizers and the production of electricity. Pyrolysis of the manure and subsequent field spreading as a soil amendment can lead to similarly low emissions due to the long residence time of the biochar, and may even be the better option than poorly managed biogas production. Composting is the treatment option resulting in highest emissions of greenhouse gases, due to high ammonia volatilization, and is likely worse than untreated storage in this respect. These results are relatively insensitive to the length of transport required for field spreading, but high uncertainties are associated with the use of emission factors.
- ItemPhysico-Chemical Properties and Deposition Potential of PM2.5 during Severe Smog Event in Delhi, India(Basel : MDPI AG, 2022) Fatima, Sadaf; Mishra, Sumit Kumar; Ahlawat, Ajit; Dimri, Ashok PriyadarshanThe present work studies a severe smog event that occurred in Delhi (India) in 2017, targeting the characterization of PM2.5 and its deposition potential in human respiratory tract of different population groups in which the PM2.5 levels raised from 124.0 µg/m3 (pre-smog period) to 717.2 µg/m3 (during smog period). Higher concentration of elements such as C, N, O, Na, Mg, Al, Si, S, Fe, Cl, Ca, Ti, Cr, Pb, Fe, K, Cu, Cl, P, and F were observed during the smog along with dominant organic functional groups (aldehyde, ketones, alkyl halides (R-F; R-Br; R-Cl), ether, etc.), which supported potential contribution from transboundary biomass-burning activities along with local pollution sources and favorable meteorological conditions. The morphology of individual particles were found mostly as non-spherical, including carbon fractals, aggregates, sharp-edged, rod-shaped, and flaky structures. A multiple path particle dosimetry (MPPD) model showed significant deposition potential of PM2.5 in terms of deposition fraction, mass rate, and mass flux during smog conditions in all age groups. The highest PM2.5 deposition fraction and mass rate were found for the head region followed by the alveolar region of the human respiratory tract. The highest mass flux was reported for 21-month-old (4.7 × 102 µg/min/m2), followed by 3-month-old (49.2 µg/min/m2) children, whereas it was lowest for 21-year-old adults (6.8 µg/min/m2), indicating babies and children were more vulnerable to PM2.5 pollution than adults during smog. Deposition doses of toxic elements such as Cr, Fe, Zn, Pb, Cu, Mn, and Ni were also found to be higher (up to 1 × 10−7 µg/kg/day) for children than adults.
- ItemCorrigendum: Air quality and health implications of 1.5 °C–2 °C climate pathways under considerations of ageing population: a multi-model scenario analysis (2021 Environ. Res. Lett. 16 045005)(Bristol : IOP Publ., 2021) Rafaj, Peter; Kiesewetter, Gregor; Krey, Volker; Schoepp, Wolfgang; Bertram, Christoph; Drouet, Laurent; Fricko, Oliver; Fujimori, Shinichiro; Harmsen, Mathijs; Hilaire, Jérôme; Huppmann, Daniel; Klimont, Zbigniew; Kolp, Peter; Aleluia Reis, Lara; van Vuuren, DetlefWe have identified an error in the text of section 3.3 where the health co-benefits of 1.5 °C + MFR scenario in the whole of Asia are compared to the reference. In the last paragraph of the section 3.3 (page 11), the manuscript states that 'Across the Asia domain, this reduction is approximately 2.5-3 million cases or 40%-51% depending on the IAM used'. Unfortunately, the numbers quoted here were accidentally taken from a sensitivity analysis using different integrated exposure-response curves (GBD-2010, obtained from Global Burden of Disease Collaborative Network 2013), which have not been used in the results shown in the paper-our results are based on the GBD-2013 version, reported by Forouzanfar et al (2015). The correct statement is: 'Across the Asia domain, this reduction is approximately 1.2-1.5 million cases or 33%-42% depending on the IAM used'. The same correction applies to the statement in the Conclusions section 5 (4th paragraph, page 14), which should read: 'The 1.5 °C + MFR scenario decreases premature deaths by 33%-42% across Asia, compared to NPi'.
- ItemTheoretical and paleoclimatic evidence for abrupt transitions in the Earth system(Bristol : IOP Publ., 2022) Boers, Niklas; Ghil, Michael; Stocker, Thomas F.Specific components of the Earth system may abruptly change their state in response to gradual changes in forcing. This possibility has attracted great scientific interest in recent years, and has been recognized as one of the greatest threats associated with anthropogenic climate change. Examples of such components, called tipping elements, include the Atlantic Meridional Overturning Circulation, the polar ice sheets, the Amazon rainforest, as well as the tropical monsoon systems. The mathematical language to describe abrupt climatic transitions is mainly based on the theory of nonlinear dynamical systems and, in particular, on their bifurcations. Applications of this theory to nonautonomous and stochastically forced systems are a very active field of climate research. The empirical evidence that abrupt transitions have indeed occurred in the past stems exclusively from paleoclimate proxy records. In this review, we explain the basic theory needed to describe critical transitions, summarize the proxy evidence for past abrupt climate transitions in different parts of the Earth system, and examine some candidates for future abrupt transitions in response to ongoing anthropogenic forcing. Predicting such transitions remains difficult and is subject to large uncertainties. Substantial improvements in our understanding of the nonlinear mechanisms underlying abrupt transitions of Earth system components are needed. We argue that such an improved understanding requires combining insights from (a) paleoclimatic records; (b) simulations using a hierarchy of models, from conceptual to comprehensive ones; and (c) time series analysis of recent observation-based data that encode the dynamics of the present-day Earth system components that are potentially prone to tipping.