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- ItemPlasticity, crack initiation and defect resistance in alkali-borosilicate glasses: From normal to anomalous behavior(Amsterdam [u.a.] : Elsevier Science, 2015) Limbach, R.; Winterstein-Beckmann, A.; Dellith, J.; Möncke, D.; Wondraczek, L.We provide a comprehensive description of the defect tolerance of sodium-borosilicate glasses upon sharp contact loading. This is motivated by the key role which is taken by this particular glass system in a wide variety of applications, ranging from electronic substrates, display covers and substrates for biomedical imaging and sensing to, e.g., radioactive waste vitrification. The present report covers the mechanical properties of glasses in the Na2O–B2O3–SiO2 ternary over the broad range of compositions from pure SiO2 to binary sodium-borates, and crossing the regions of various commercially relevant specialty borosilicate glasses, such as the multi-component Duran-, Pyrex- and BK7-type compositions and typical soda-lime silicate glasses, which are also included in this study. In terms of structure, the considered glasses may be separated into two groups, that is, one series which contains only bridging oxygen atoms, and another series which is designed with an increasing number of non-bridging oxygen ions. Elastic moduli, Poisson ratio, hardness as well as creep and crack resistance were evaluated, as well as the contribution of densification to the overall amount of indentation deformation. Correlations between the mechanical properties and structural characteristics of near- and mid-range order are discussed, from which we obtain a mechanistic view at the molecular reactions which govern the overall deformation reaction and, ultimately, contact cracking.
- ItemStructure-property relationships in nanoporous metallic glasses(Amsterdam [u.a.] : Elsevier Science, 2016) Şopu, D.; Soyarslan, C.; Sarac, B.; Bargmann, S.; Stoica, M.; Eckert, J.We investigate the influence of various critical structural aspects such as pore density, distribution, size and number on the deformation behavior of nanoporous Cu64 Zr36 glass. By using molecular dynamics and finite element simulations an effective strategy to control the strain localization in nanoporous heterostructures is provided. Depending on the pore distribution in the heterostructure, upon tensile loading the nanoporous glass showed a clear transition from a catastrophic fracture to localized deformation in one dominant shear band, and ultimately to homogeneous plastic flow mediated by a pattern of multiple shear bands. The change in the fracture mechanism from a shear band slip to necking-like homogeneous flow is quantitative interpreted by calculating the critical shear band length. Finally, we identify the most effective heterostructure with enhanced ductility as compared to the monolithic bulk metallic glass. The heterostructure with a fraction of pores of about 3% distributed in such a way that the pores do not align along the maximum shear stress direction shows higher plasticity while retaining almost the same strength as the monolithic glass. Our results provide clear evidence that the mechanical properties of nanoporous glassy materials can be tailored by carefully controlling the design parameters.
- ItemStructural and mechanical characterization of heterogeneities in a CuZr-based bulk metallic glass processed by high pressure torsion(Amsterdam [u.a.] : Elsevier Science, 2018) Ebner, Christian; Escher, Benjamin; Gammer, Christoph; Eckert, Jürgen; Pauly, Simon; Rentenberger, ChristianCu45Zr45Al5Ag5 bulk metallic glass samples, processed by high pressure torsion (HPT) under various conditions, were characterized using synchrotron X-ray diffraction, nanoindentation, differential scanning calorimetry, atomic force and transmission electron microscopy. The experimental results clearly show that HPT modifies the amorphous structure by increasing the mean atomic volume. The level of rejuvenation, correlated with the excess mean atomic volume, is enhanced at higher shear strains as inferred from relaxation enthalpies. By mapping of structural and mechanical quantities, the strain-induced rejuvenated state is characterized on cross-sectional HPT samples on a local scale. A clear correlation both between elastic and plastic softening and between softening and excess mean atomic volume is obtained. But also the heterogeneity of the HPT induced rejuvenation is revealed, resulting in the formation of highly strain-softened regions next to less-deformed ones. A hardness drop of up to 20% is associated with an estimated increase of the mean atomic volume of up to 0.75%. Based on synchrotron X-ray diffraction and nanoindentation measurements it is concluded that elastic fluctuations are enhanced in the rejuvenated material on different length scales down to atomic scale. Furthermore, the calculated flexibility volume and the corresponding average mean square atomic displacement is increased. The plastic response during nanoindentation indicates that HPT processing promotes a more homogeneous-like deformation.
- ItemStructure evolution of soft magnetic (Fe36Co36B19.2Si4.8Nb4)100-xCux (x = 0 and 0.5) bulk glassy alloys(Amsterdam [u.a.] : Elsevier Science, 2015) Stoica, Mihai; Ramasamy, Parthiban; Kaban, Ivan; Scudino, Sergio; Nicoara, Mircea; Vaughan, Gavin B.M.; Wright, Jonathan; Kumar, Ravi; Eckert, JürgenFully amorphous rods with diameters up to 2 mm diameter were obtained upon 0.5 at.% Cu addition to the Fe36Co36B19.2Si4.8Nb4 bulk metallic glass. The Cu-added glass shows a very good thermal stability but, in comparison with the Cu-free base alloy, the entire crystallization behavior is drastically changed. Upon heating, the glassy (Fe36Co36B19.2Si4.8Nb4)99.5Cu0.5 samples show two glass transitions-like events, separated by an interval of more than 100 K, in between which a bcc-(Fe,Co) solid solution is formed. The soft magnetic properties are preserved upon Cu-addition and the samples show a saturation magnetization of 1.1 T combined with less than 2 A/m coercivity. The relaxation behavior prior to crystallization, as well as the crystallization behavior, were studied by time-resolved X-ray diffraction using synchrotron radiation. It was found that both glassy alloys behave similar at temperatures below the glass transition. Irreversible structural transformations take place when approaching the glass transition and in the supercooled liquid region.
- ItemBenzoyl side-chains push the open-circuit voltage of PCDTBT/PCBM solar cells beyond 1 V(Amsterdam [u.a.] : Elsevier Science, 2017) Lombeck, Florian; Müllers, Stefan; Komber, Hartmut; Menke, S. Matthew; Pearson, Andrew J.; Conaghan, Patrick J.; McNeill, Christopher R.; Friend, Richard H.; Sommer, MichaelThe synthesis, characterization and solar cell performance of PCDTBT and its highly soluble analogue hexyl-PCDTBT with cross-conjugated benzoyl moieties at the carbazole comonomer are presented. Through the use of both model reactions and time-controlled microwave-assisted Suzuki polycondensation, the base-induced cleavage of the benzoyl group from the polymer backbone has been successfully suppressed. Compared to the commonly used symmetrically branched alkyl motif, the benzoyl substituent lowers the energy levels of PCDTBT as well as the band gap, and consequently increases energy of the charge transfer state in blends with PC71BM. As a result, photovoltaic diodes with high-open circuit voltage of above 1 V are realized.
- ItemIn situ powder X-ray diffraction during hydrogen reduction of MoO3 to MoO2(Amsterdam [u.a.] : Elsevier Science, 2022) Burgstaller, M.; Lund, H.; O'Sullivan, M.; Huppertz, H.The hydrogen reduction of molybdenum trioxide to molybdenum dioxide is not yet fully understood as evident by continuous scientific interest. Especially the effect of the potassium content on the reduction process has not yet been considered. We prepared several samples of molybdenum trioxide containing varying amounts of potassium by addition of potassium molybdate (K2MoO4). In situ powder X-ray diffraction experiments were then conducted to study the hydrogen reduction of these samples. We especially focused on the influence of the alkali content and on gaining insight into the importance of the intermediary product γ-Mo4O11. During the reduction process, MoO2 is formed from the reduction of MoO3, which then reacts with the starting material to form γ-Mo4O11. With increasing potassium content, the reduction rate is decreased and the fractional content of γ-Mo4O11 built up during the reduction process is increased. As evident from bulk sample reduction, this results in a significant increase in the grain size visualized via scanning electron microscopy. Our investigations once again underline the importance of γ-Mo4O11 on the morphology of the resulting MoO2 powder.
- ItemSerrated flow of CuZr-based bulk metallic glasses probed by nanoindentation: Role of the activation barrier, size and distribution of shear transformation zones(Amsterdam [u.a.] : Elsevier Science, 2017) Limbach, R.; Kosiba, K.; Pauly, S.; Kühn, U.; Wondraczek, L.We report on the effect of Al and Co alloying in vitreous Cu50Zr50 on local deformation and serrated flow as a model for relating the size and localization of shear transformation zones (STZ) to Poisson ratio and strain-rate sensitivity of metallic glasses. Alloying with Al results in significant variations in mechanical performance, in particular, in Young's modulus, hardness and strain-rate sensitivity. Increasing strain-rate sensitivity with increasing degree of alloying indicates a reduced tendency for shear localization. In parallel, a gradual transition from inhomogeneous to homogeneous plastic flow is observed. Using a statistical analysis of the shear stress associated with the initiation of the first pop-in in the load-displacement curve during spherical indentation, the activation volume for plastic flow at the onset of yielding is reported. This analysis is employed for experimental evaluation of the compositional dependence of activation barrier, size and distribution of STZs. It is demonstrated that the STZ size does not change significantly upon Al alloying and encompasses a local volume of around 22–24 atoms. However, the barrier energy density for the initiation of a single STZ progressively increases. The broader distribution of STZs impedes their accumulation into larger-size flow units, leading to a lower number and reduced size of serrations in the load-displacement curve. On the contrary, lower barrier energy densities enable a larger quantity of STZs to be activated simultaneously. These STZs can easily percolate into large flow units, promoting plastic flow through their interaction. We employ Poisson's ratio as an indicator for plasticity to shown that this interpretation can be transferred to other types of metallic glasses. That is, larger flow units were found for metallic glasses with higher Poisson ratio and more pronounced plasticity, while the flow units in alloys with very low Poisson ratio and high brittleness are significantly reduced in size and more homogeneously distributed throughout the material.
- ItemAn AI-based open recommender system for personalized labor market driven education(Amsterdam [u.a.] : Elsevier Science, 2022) Tavakoli, Mohammadreza; Faraji, Abdolali; Vrolijk, Jarno; Molavi, Mohammadreza; Mol, Stefan T.; Kismihók, GáborAttaining those skills that match labor market demand is getting increasingly complicated, not in the last place in engineering education, as prerequisite knowledge, skills, and abilities are evolving dynamically through an uncontrollable and seemingly unpredictable process. Anticipating and addressing such dynamism is a fundamental challenge to twenty-first century education. The burgeoning availability of data, not only on the demand side but also on the supply side (in the form of open educational resources) coupled with smart technologies, may provide a fertile ground for addressing this challenge. In this paper, we propose a novel, Artificial Intelligence (AI) driven approach to the development of an open, personalized, and labor market oriented learning recommender system, called eDoer. We discuss the complete system development cycle starting with a systematic user requirements gathering, and followed by system design, implementation, and validation. Our recommender prototype (1) derives the skill requirements for particular occupations through an analysis of online job vacancy announcements
- ItemDissipation losses limiting first-order phase transition materials in cryogenic caloric cooling: A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloys(Amsterdam [u.a.] : Elsevier Science, 2023) Beckmann, Benedikt; Koch, David; Pfeuffer, Lukas; Gottschall, Tino; Taubel, Andreas; Adabifiroozjaei, Esmaeil; Miroshkina, Olga N.; Riegg, Stefan; Niehoff, Timo; Kani, Nagaarjhuna A.; Gruner, Markus E.; Molina-Luna, Leopoldo; Skokov, Konstantin P.; Gutfleisch, OliverNi-Mn-based Heusler alloys, in particular all-d-metal Ni(-Co)-Mn-Ti, are highly promising materials for energy-efficient solid-state refrigeration as large multicaloric effects can be achieved across their magnetostructural martensitic transformation. However, no comprehensive study on the crucially important transition entropy change Δst exists so far for Ni(-Co)-Mn-Ti. Here, we present a systematic study analyzing the composition and temperature dependence of Δst. Our results reveal a substantial structural entropy change contribution of approximately 65 J(kgK)-1, which is compensated at lower temperatures by an increasingly negative entropy change associated with the magnetic subsystem. This leads to compensation temperatures Tcomp of 75 K and 300 K in Ni35Co15Mn50-yTiy and Ni33Co17Mn50-yTiy, respectively, below which the martensitic transformations are arrested. In addition, we simultaneously measured the responses of the magnetic, structural and electronic subsystems to the temperature- and field-induced martensitic transformation near Tcomp, showing an abnormal increase of hysteresis and consequently dissipation energy at cryogenic temperatures. Simultaneous measurements of magnetization and adiabatic temperature change ΔTad in pulsed magnetic fields reveal a change in sign of ΔTad and a substantial positive and irreversible ΔTad up to 15 K at 15 K as a consequence of increased dissipation losses and decreased heat capacity. Most importantly, this phenomenon is universal, it applies to any first-order material with non-negligible hysteresis and any stimulus, effectively limiting the utilization of their caloric effects for gas liquefaction at cryogenic temperatures.
- ItemStructural transformations among austenite, ferrite and cementite in Fe-C alloys: A unified theory based on ab initio simulations(Amsterdam [u.a.] : Elsevier Science, 2015) Zhang, Xie; Hickel, Tilmann; Rogal, Jutta; Fähler, Sebastian; Drautz, Ralf; Neugebauer, JörgStructural transformations in Fe–C alloys are decisive for the mechanical properties of steels, but their modeling remains a challenge due to the simultaneous changes in Fe lattice and redistribution of C. With a combination of the orientation relationships between austenite, ferrite and cementite, we identify a metastable intermediate structure (MIS), which can serve as a link between the three phases. Based on this framework, different mechanisms depending on the local conditions (C concentration, strain, magnetism) are revealed from ab initio nudged elastic band simulations, which allow us to construct a unified theory for the structural transformations among austenite, ferrite and cementite.