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- 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.
- ItemMechanical performance and corrosion behaviour of Zr-based bulk metallic glass produced by selective laser melting(Amsterdam : Elsevier B.V., 2020) Deng, L.; Gebert, A.; Zhang, L.; Chen, H.Y.; Gu, D.D.; Kühn, U.; Zimmermann, M.; Kosiba, K.; Pauly, S.Nearly fully dense, glassy Zr52.5Cu17.9Ni14.6Al10Ti5 bulk specimens were fabricated by selective laser melting (SLM) and their behaviour during compressive loading, during wear testing and in a corrosive medium was investigated. Their performance was compared with as-cast material of the same composition. The additively manufactured samples exhibit a yield strength around 1700 MPa combined with a plastic strain of about 0.5% after yielding despite the residual porosity of 1.3%, which is distributed uniformly in the samples. The propagation of shear bands in the bulk metallic glass prepared by SLM was studied. The specific wear rate and the worn surfaces demonstrated that similar wear mechanisms are active in the SLM and the as-cast samples. Hence, manufacturing the glass in layers does not adversely affect the wear properties. The same holds for the corrosion tests, which were carried out in 0.01 M Na2SO4 and 0.1 M NaCl electrolyte. The anodic polarization curves of SLM samples and as-cast samples revealed a similar corrosion behaviour. However, the SLM samples have a slightly reduced susceptibility to pitting corrosion and exhibit an improved surface healing ability, which might be attributed to an improved homogeneity of the additively manufactured glass.
- ItemDirect observation of nanocrystal-induced enhancement of tensile ductility in a metallic glass composite(Amsterdam [u.a.] : Elsevier Science, 2021) Gammer, Christoph; Rentenberger, Christian; Beitelschmidt, Denise; Minor, Andrew M.; Eckert, JürgenBulk metallic glasses (BMGs) have attracted wide interest, but their successful application is hindered by their low ductility at room temperature. Therefore, the use of composites of a BMG matrix with crystalline secondary phases has been proposed to overcome this drawback. In the present work we demonstrate the fabrication of a tailored BMG nanocomposite containing a high density of monodisperse nanocrystals with a size of around 20 nm using a combination of mechanical and thermal treatment of Cu36Zr48Al8Ag8 well below the crystallization temperature. Direct observations of the interaction of the nanocrystals with a shear band during in situ deformation in a transmission electron microscope demonstrate that the achieved nanocomposite has the potential to inhibit catastrophic fracture in tension. This demonstrates that a sufficient number of nanoscale structural heterogeneities can be a route towards BMG composites with superior mechanical properties.
- ItemProcessing metallic glasses by selective laser melting(Amsterdam [u.a.] : Elsevier, 2013) Pauly, S.; Löber, L.; Petters, R.; Stoica, M.; Scudino, S.; Kühn, U.; Eckert, J.Metallic glasses and their descendants, the so-called bulk metallic glasses (BMGs), can be regarded as frozen liquids with a high resistance to crystallization. The lack of a conventional structure turns them into a material exhibiting near-theoretical strength, low Young's modulus and large elasticity. These unique mechanical properties can be only obtained when the metallic melts are rapidly cooled to bypass the nucleation and growth of crystals. Most of the commonly known and used processing routes, such as casting, melt spinning or gas atomization, have intrinsic limitations regarding the complexity and dimensions of the geometries. Here, it is shown that selective laser melting (SLM), which is usually used to process conventional metallic alloys and polymers, can be applied to implement complex geometries and components from an Fe-base metallic glass. This approach is in principle viable for a large variety of metallic alloys and paves the way for the novel synthesis of materials and the development of parts with advanced functional and structural properties without limitations in size and intricacy.
- ItemCryogenic-temperature-induced structural transformation of a metallic glass(London [u.a.] : Taylor & Francis, 2016-11-30) Bian, Xilei; Wang, Gang; Wang, Qing; Sun, Baoan; Hussain, Ishtiaq; Zhai, Qijie; Mattern, Norbert; Bednarčík, Jozef; Eckert, JürgenThe plasticity of metallic glasses depends largely on the atomic-scale structure. However, the details of the atomic-scale structure, which are responsible for their properties, remain to be clarified. In this study, in-situ high-energy synchrotron X-ray diffraction and strain-rate jump compression tests at different cryogenic temperatures were carried out. We show that the activation volume of flow units linearly depends on temperature in the non-serrated flow regime. A plausible atomic deformation mechanism is proposed, considering that the activated flow units mediating the plastic flow originate from the medium-range order and transit to the short-range order with decreasing temperature.
- ItemGuiding shear bands in bulk metallic glasses using stress fields : A perspective from the activation of flow units(Woodbury, NY : Inst., 2020) Kosiba, K.; Scudino, S.; Bednarcik, J.; Bian, J.; Liu, G.; Kühn, U.; Pauly, S.Controlling shear band propagation is the key to obtain ductile metallic glasses. Here, we use a residual stress field to vary the direction of shear band propagation. We ascribe this behavior to the effect of the stress field on the activation of shear transformation zones (STZs) along their characteristic direction and we quantify this contribution to the energy of the process. Because of the progressively adverse orientation of the stress field, the energy stored as shear in the STZ decreases to a level where shear band propagation at alternative angles becomes energetically more favorable. © 2020 authors.
- ItemEffect of geometrical constraint condition on the formation of nanoscale twins in the Ni-based metallic glass composite(Milton Park : Taylor and Francis Ltd., 2014) Lee, M.H.; Kim, B.S.; Kim, D.H.; Ott, R.T.; Sansoz, F.; Eckert, J.We investigated the effect of geometrically constrained stress-strain conditions on the formation of nanotwins in -brass phase reinforced Ni59Zr20 Ti16 Si2 Sn3 metallic glass (MG) matrix deformed under macroscopic uniaxial compression. The specific geometrically constrained conditions in the samples lead to a deviation from a simple uniaxial state to a multi-axial stress state, for which nanocrystallization in the MG matrix together with nanoscale twinning of the brass reinforcement is observed in localized regions during plastic flow. The nanocrystals in the MG matrix and the appearance of the twinned structure in the reinforcements indicate that the strain energy is highly confined and the local stress reaches a very high level upon yielding. Both the effective distribution of reinforcements on the strain enhancement of composite and the effects of the complicated stress states on the development of nanotwins in the second-phase brass particles are discussed.
- ItemRejuvenation through plastic deformation of a La-based metallic glass measured by fast-scanning calorimetry(Amsterdam : Elsevier B.V., 2020) Meylan, C.M.; Orava, J.; Greer, A.L.We explore the glassy states achievable after a metallic glass is formed on liquid quenching. Samples of La55Al25Ni20 (at.%) metallic glass (rod and ribbon) are studied. The extent of structural relaxation at room temperature is characterized for this low-glass-transition temperature glass. Plastic deformation (uniaxial compression) rejuvenates the glass to states of higher enthalpy characteristic of glass formation at high cooling rate. Deformation increases the heterogeneity of the glass, widening the spectrum of relaxation times. The extent of rejuvenation in samples of low aspect ratio is compared with that under conditions of high constraint in notched samples. The deformation-induced rejuvenation is particularly susceptible to reduction on subsequent ageing. Fast-scanning calorimetry is useful in characterizing the dynamics of structural relaxation. The shadow glass transition is more evident on fast heating, and is observed in this glass for the first time. A new excess exothermic effect is observed before the glass transition.
- 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.
- ItemTailoring biocompatible Ti-Zr-Nb-Hf-Si metallic glasses based on high-entropy alloys design approach(Amsterdam : Elsevier, 2020) Calin, Mariana; Vishnu, Jithin; Thirathipviwat, Pramote; Popa, Monica-Mihaela; Krautz, Maria; Manivasagam, Geetha; Gebert, AnnettPresent work unveils novel magnetic resonance imaging (MRI) compatible glassy Ti-Zr-Nb-Hf-Si alloys designed based on a high entropy alloys approach, by exploring the central region of multi-component alloy phase space. Phase analysis has revealed the amorphous structure of developed alloys, with a higher thermal stability than the conventional metallic glasses. The alloys exhibit excellent corrosion properties in simulated body fluid. Most importantly, the weak paramagnetic nature (ultralow magnetic susceptibility) and superior radiopacity (high X-ray attenuation coefficients) offer compatibility with medical diagnostic imaging systems thereby opening unexplored realms for biomedical applications.