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- ItemNanometer-resolved mechanical properties around GaN crystal surface steps(Frankfurt, M. : Beilstein-Institut zur Förderung der Chemischen Wissenschaften, 2014) Buchwald, J.; Sarmanova, M.; Rauschenbach, B.; Mayr, S.G.The mechanical properties of surfaces and nanostructures deviate from their bulk counterparts due to surface stress and reduced dimensionality. Experimental indentation-based techniques present the challenge of measuring these effects, while avoiding artifacts caused by the measurement technique itself. We performed a molecular dynamics study to investigate the mechanical properties of a GaN step of only a few lattice constants step height and scrutinized its applicability to indentation experiments using a finite element approach (FEM). We show that the breakdown of half-space symmetry leads to an "artificial" reduction of the elastic properties of comparable lateral dimensions which overlays the effect of surface stress. Contact resonance atomic force microscopy (CR-AFM) was used to compare the simulation results with experiments.
- ItemMechanical Properties of ZTO, ITO, and a-Si:H Multilayer Films for Flexible Thin Film Solar Cells(Basel : MDPI, 2017-3-1) Hengst, Claudia; Menzel, Siegfried B.; Rane, Gayatri K.; Smirnov, Vladimir; Wilken, Karen; Leszczynska, Barbara; Fischer, Dustin; Prager, NicoleThe behavior of bi- and trilayer coating systems for flexible a-Si:H based solar cells consisting of a barrier, an electrode, and an absorption layer is studied under mechanical load. First, the film morphology, stress, Young’s modulus, and crack onset strain (COS) were analyzed for single film coatings of various thickness on polyethylene terephthalate (PET) substrates. In order to demonstrate the role of the microstructure of a single film on the mechanical behavior of the whole multilayer coating, two sets of InSnOx (indium tin oxide, ITO) conductive coatings were prepared. Whereas a characteristic grain–subgrain structure was observed in ITO-1 films, grain growth was suppressed in ITO-2 films. ITO-1 bilayer coatings showed two-step failure under tensile load with cracks propagating along the ITO-1/a-Si:H-interface, whereas channeling cracks in comparable bi- and trilayers based on amorphous ITO-2 run through all constituent layers. A two-step failure is preferable from an application point of view, as it may lead to only a degradation of the performance instead of the ultimate failure of the device. Hence, the results demonstrate the importance of a fine-tuning of film microstructure not only for excellent electrical properties, but also for a high mechanical performance of flexible devices (e.g., a-Si:H based solar cells) during fabrication in a roll-to-roll process or under service.
- ItemDynamic Single-Fiber Pull-Out of Polypropylene Fibers Produced with Different Mechanical and Surface Properties for Concrete Reinforcement(Basel : MDPI, 2021) Wölfel, Enrico; Brünig, Harald; Curosu, Iurie; Mechtcherine, Viktor; Scheffler, ChristinaIn strain-hardening cement-based composites (SHCC), polypropylene (PP) fibers are often used to provide ductility through micro crack-bridging, in particular when subjected to high loading rates. For the purposeful material design of SHCC, fundamental research is required to understand the failure mechanisms depending on the mechanical properties of the fibers and the fiber–matrix interaction. Hence, PP fibers with diameters between 10 and 30 µm, differing tensile strength levels and Young’s moduli, but also circular and trilobal cross-sections were produced using melt-spinning equipment. The structural changes induced by the drawing parameters during the spinning process and surface modification by sizing were assessed in single-fiber tensile experiments and differential scanning calorimetry (DSC) of the fiber material. Scanning electron microscopy (SEM), atomic force microscopy (AFM) and contact angle measurements were applied to determine the topographical and wetting properties of the fiber surface. The fiber–matrix interaction under quasi-static and dynamic loading was studied in single-fiber pull-out experiments (SFPO). The main findings of microscale characterization showed that increased fiber tensile strength in combination with enhanced mechanical interlocking caused by high surface roughness led to improved energy absorption under dynamic loading. Further enhancement could be observed in the change from a circular to a trilobal fiber cross-section.
- ItemNovel low modulus beta-type Ti–Nb alloys by gallium and copper minor additions for antibacterial implant applications(Rio de Janeiro : Elsevier, 2022) Alberta, Ludovico Andrea; Vishnu, Jithin; Hariharan, Avinash; Pilz, Stefan; Gebert, Annett; Calin, MarianaThis study aims to develop novel low-modulus, corrosion-resistant Ti-based alloys with enhanced antimicrobial properties for bone-related implant applications. Novel β-type (Ti–45Nb)-based alloys with minor additions of the antibacterial elements Ga and/or Cu (up to 4 wt.%) were produced by a two-step casting process followed by homogenization treatment. Three nominal compositions (Ti–45Nb)96-4 Ga, (Ti–45Nb)96–4Cu and (Ti–45Nb)96-2 Ga–2Cu (wt.%) were prepared based on alloy design approach using [Mo]eq and electron per atom (e/a) ratio. The influence of Ga and/or Cu addition on the phase constitution, mechanical response and corrosion characteristics in simulated body fluids (PBS, 37.5 °C) has been investigated. X-ray diffraction studies displayed a single β phase structure for all alloys, with an observed lattice contraction evidenced by the reduction of lattice parameters during Rietveld analysis. Homogenous equiaxed microstructures with grain sizes ranging from 55 μm up to 323 μm were observed for (Ti–45Nb)96-4 Ga, (Ti–45Nb)96-2 Ga–2Cu and (Ti–45Nb)96–4Cu alloys. The alloys displayed excellent plasticity with no cracking, or fracturing during compression tests. Their tensile strength, Young's modulus, maximum tensile strain and elastic energy were measured in the ranges of 544–681 MPa, 73–78 GPa, 17–28% and 2.5–3.7 MJ/m3, in the order (Ti–45Nb)96-4 Ga > (Ti–45Nb)96-2 Ga–2Cu > (Ti–45Nb)96–4Cu. In addition, it has been observed that micro-alloying Ti–Nb alloy with Ga and/or Cu posed no deleterious effect on the corrosion resistance in simulated body fluid conditions. The improvement in strength of the developed alloys has been discussed based on grain boundary and solid-solution strengthening, whereas the improved plasticity is attributed to work hardening.
- ItemMicrostructure, mechanical properties and machinability of particulate reinforced Al matrix composites: a comparative study between SiC particles and high-entropy alloy particles(Amsterdam : Elsevier, 2020) Lu, Tiwen; He, Tianbing; Li, Zixuan; Chen, Hongyu; Han, Xiaoliang; Fu, Zhiqiang; Chen, WeipingIn this study, 2024Al matrix composites reinforced by SiC particles (SiC-2024Al) and nanocrystalline high-entropy alloy particles (HEA-2024Al) fabricated by powder metallurgy were systematically compared for the first time. There is a significant difference in microstructure and mechanical properties as well as machinability between two kinds of composites. In term of microstructure, when the volume fraction of reinforcements was 10%, both SiC-2024Al and HEA-2024Al composites showed a homogeneous particle distribution in the matrix. With the increase of reinforcement content, HEA-2024Al composites presented denser microstructure than that of SiC-2024Al composites. The composites with 10, 20 and 30 vol.% HEA reinforcements all showed better plasticity than that of the SiC-2024Al composites with same volume fraction of reinforcements, which was related with better particle distribution and interface bonding. However, the strength showed the opposite tendency in the two kinds of composites. Selecting 10SiC-2024Al and 10HEA-2024Al composites as examples to explore the difference in the yield strength of two kinds of composites, it is ascribed to the dislocation punched zones around interface between the Al matrix and reinforcements, which was analyzed in detail by a combination of calculation, nanoindentation tests and finite element analysis. Additionally, HEA-2024Al composites showed better machinability than those of SiC-2024Al composites. This work provides insight into the application of particulate reinforced Al matrix composites.
- ItemInfluence of isothermal omega precipitation aging on deformation mechanisms and mechanical properties of a β-type Ti-Nb alloy(Lausanne : Elsevier, 2022) Pilz, S.; Hariharan, A.; Günther, F.; Zimmermann, M.; Gebert, A.In this study, the influence of ωiso precipitates on the active deformation mechanisms and the mechanical properties of the biomedical β-type Ti-40Nb alloy are revealed. Low temperature heat treatments (aging) at 573 K for durations up to 108.0 ks were carried out for a cold-rolled and recrystallized sample state. After an aging time of 3.6 ks the ωiso phase was determined by means of synchrotron XRD and the fraction and the crystallite size of ωiso increased progressively with increasing aging time. Due to the high intrinsic Young's modulus of the ωiso phase, the Young's modulus increased gradually with the aging time from 63 GPa, for the recrystallized reference condition, to values of 70 GPa (3.6 ks), 73 GPa (14.4 ks), 81 GPa (28.8 ks) and 96 GPa (108.0 ks). Depending on the aging time, also a change of the active deformation mechanisms occurred, resulting in significantly altered mechanical properties. For the single β-phase reference microstructure, stress-induced martensite (SIM) formation, {332} <113> twinning and dislocation slip were observed under tensile loading, resulting in a low 0.2% proof stress of around 315 MPa but a high elongation at fracture of 26.2%. With increasing aging time, SIM formation and mechanical twinning are progressively hindered under tensile loading. SIM formation could not be detected for samples aged longer than 3.6 ks. The amount and thickness of deformation twins is clearly reduced with increasing aging time and for samples aged longer than 14.4 ks deformation twinning is completely suppressed. As a result of the changed deformation mechanisms and the increase of the critical stress for slip caused by ωiso, the 0.2% proof stress of the aged samples increased gradually from 410 MPa (3.6 ks) to around 910 MPa (108.0 ks). With regard to application as new bone implant material, a balanced ratio of a low Young's modulus of E = 73 GPa and higher 0.2% proof stress of 640 MPa was achieved after an aging time of 14.4 ks.
- ItemNanoscale mechanical surface properties of single crystalline martensitic Ni-Mn-Ga ferromagnetic shape memory alloys(Bristol : IOP, 2012) Jakob, A.M.; Müller, M.; Rauschenbach, B.; Mayr, S.G.Located beyond the resolution limit of nanoindentation, contact resonance atomic force microscopy (CR-AFM) is employed for nano-mechanical surface characterization of single crystalline 14M modulated martensitic Ni-Mn-Ga (NMG) thin films grown by magnetron sputter deposition on (001) MgO substrates. Comparing experimental indentation moduli-obtained with CR-AFM-with theoretical predictions based on density functional theory (DFT) indicates the central role of pseudo plasticity and inter-martensitic phase transitions. Spatially highly resolved mechanical imaging enables the visualization of twin boundaries and allows for the assessment of their impact on mechanical behavior at the nanoscale. The CR-AFM technique is also briefly reviewed. Its advantages and drawbacks are carefully addressed.
- ItemStructural defects in Fe-Pd-based ferromagnetic shape memory alloys: Tuning transformation properties by ion irradiation and severe plastic deformation(Bristol : IOP, 2012) Mayr, S.G.; Arabi-Hashemi, A.Fe-Pd-based ferromagnetic shape memory alloys constitute an exciting class of magnetically switchable smart materials that reveal excellent mechanical properties and biocompatibility. However, their application is severely hampered by a lack of understanding of the physics at the atomic scale. A many-body potential is presented that matched ab inito calculations and can account for the energetics of martensite ↔ austenite transition along the Bain path and relative phase stabilities in the ordered and disordered phases of Fe-Pd. Employed in massively parallel classical molecular dynamics simulations, the impact of order/disorder, point defects and severe plastic deformation in the presence of single- and polycrystalline microstructures are explored as a function of temperature. The model predictions are in agreement with experiments on phase changes induced by ion irradiation, cold rolling and hammering, which are also presented.
- ItemTwo-dimensional membrane as elastic shell with proof on the folds revealed by three-dimensional atomic mapping(London : Nature Publishing Group, 2015) Zhao, Jiong; Deng, Qingming; Ly, Thuc Hue; Han, Gang Hee; Sandeep, Gorantla; Rümmeli, Mark H.The great application potential for two-dimensional (2D) membranes (MoS2, WSe2, graphene and so on) aroused much effort to understand their fundamental mechanical properties. The out-of-plane bending rigidity is the key factor that controls the membrane morphology under external fields. Herein we provide an easy method to reconstruct the 3D structures of the folded edges of these 2D membranes on the atomic scale, using high-resolution (S)TEM images. After quantitative comparison with continuum mechanics shell model, it is verified that the bending behaviour of the studied 2D materials can be well explained by the linear elastic shell model. And the bending rigidities can thus be derived by fitting with our experimental results. Recall almost only theoretical approaches can access the bending properties of these 2D membranes before, now a new experimental method to measure the bending rigidity of such flexible and atomic thick 2D membranes is proposed.
- ItemPolydopamine-Coated Paraffin Microcapsules as a Multifunctional Filler Enhancing Thermal and Mechanical Performance of a Flexible Epoxy Resin(Basel : MDPI, 2020) Fredi, Giulia; Zimmerer, Cordelia; Scheffler, Christina; Pegoretti, AlessandroThis work focuses on flexible epoxy (EP) composites containing various amounts of neat and polydopamine (PDA)-coated paraffin microcapsules as a phase change material (PCM), which have potential applications as adhesives or flexible interfaces with thermal management capability for electronics or other high-value-added fields. After PDA modification, the surface of PDA-coated capsules (MC-PDA) becomes rough with a globular appearance, and the PDA layer enhances the adhesion with the surrounding epoxy matrix, as shown by scanning electron microscopy. PDA deposition parameters have been successfully tuned to obtain a PDA layer with a thickness of 53 ± 8 nm, and the total PDA mass in MC-PDA is only 2.2 wt %, considerably lower than previous results. This accounts for the fact that the phase change enthalpy of MC-PDA is only marginally lower than that of neat microcapsules (MC), being 221.1 J/g and 227.7 J/g, respectively. Differential scanning calorimetry shows that the phase change enthalpy of the prepared composites increases with the capsule content (up to 87.8 J/g) and that the enthalpy of the composites containing MC-PDA is comparable to that of the composites with MC. Dynamic mechanical analysis evidences a decreasing step in the storage modulus of all composites at the glass transition of the EP phase, but no additional signals are detected at the PCM melting. PCM addition positively contributes to the storage modulus both at room temperature and above Tg of the EP phase, and this effect is more evident for composites containing MC-PDA. As the capsule content increases, the mechanical properties of the host EP matrix also increase in terms of elastic modulus (up to +195%), tensile strength (up to +42%), Shore D hardness (up to +36%), and creep compliance (down to −54% at 60 min). These effects are more evident for composites containing MC-PDA due to the enhanced interfacial adhesion.
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