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.

2016-11-30, Bian, Xilei, Wang, Gang, Wang, Qing, Sun, Baoan, Hussain, Ishtiaq, Zhai, Qijie, Mattern, Norbert, Bednarčík, Jozef, Eckert, Jürgen

The 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.

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.

2018, Ebner, Christian, Escher, Benjamin, Gammer, Christoph, Eckert, Jürgen, Pauly, Simon, Rentenberger, Christian

Cu45Zr45Al5Ag5 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.

2017, Turalska, P., Homa, M., Bruzda, G., Sobczak, N., Kaban, I., Mattern, N., Eckert, J.

The wetting behavior and reactivity between molten pure Gd and polycrystalline 3YSZ substrate (ZrO2 stabilized with 3 wt% of Y2O3)were experimentally determined by a sessile drop method using a classical contact heating coupled with drop pushing procedure. The test was performed under an inert flowing gas atmosphere (Ar) at two temperatures of 1362°C and 1412°C. Immediately after melting (Tm=1341°C), liquid Gd did not wet the substrate forming a contact angle of θ=141°. The non-wetting to wetting transition (θ < 90°) took place after about 110 seconds of interaction and was accompanied by a sudden decrease in the contact angle value to 67°. Further heating of the couple to 1412 °C did not affect wetting (θ=67°±1°). The solidified Gd/3YSZ couple was studied by means of optical microscopy and scanning electron microscopy coupled with X-ray energy dispersive spectroscopy. Structural investigations revealed that the wettability in the Gd/3YSZ system is of a reactive nature associated with the formation of a continuous layer of a wettable reaction product Gd2Zr2O7.

2015, Zhang, Xie, Hickel, Tilmann, Rogal, Jutta, Fähler, Sebastian, Drautz, Ralf, Neugebauer, Jörg

Structural 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.

2015, Stoica, Mihai, Ramasamy, Parthiban, Kaban, Ivan, Scudino, Sergio, Nicoara, Mircea, Vaughan, Gavin B.M., Wright, Jonathan, Kumar, Ravi, Eckert, Jürgen

Fully 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.

2017-3-9, Prashanth, K.G., Scudino, S., Maity, T., Das, J., Eckert, J.

The effective fabrication of materials using selective laser melting depends on the process parameters. Here, we analyse the suitability of the energy density to represent the energy transferred to the powder bed, which is effectively used to melt the particles and to produce the bulk specimens. By properly varying laser power and speed in order to process the powder at constant energy density, we show that the equation currently used to calculate the energy density gives only an approximate estimation and that hatch parameters and material properties should be considered to correctly evaluate the energy density.

2017-10-10, Göttlicher, Markus, Rohnke, Marcus, Moryson, Yannik, Thomas, Jürgen, Sann, Joachim, Lode, Anja, Schumacher, Matthias, Schmidt, Romy, Pilz, Stefan, Gebert, Annett, Gemming, Thomas, Janek, Jürgen

Background: Surface functionalization of orthopedic implants with pharmaceutically active agents is a modern approach to enhance osseointegration in systemically altered bone. A local release of strontium, a verified bone building therapeutic agent, at the fracture site would diminish side effects, which could occur otherwise by oral administration. Strontium surface functionalization of specially designed titanium-niobium (Ti-40Nb) implant alloy would provide an advanced implant system that is mechanically adapted to altered bone with the ability to stimulate bone formation. Methods: Strontium-containing coatings were prepared by reactive sputtering of strontium chloride (SrCl2) in a self-constructed capacitively coupled radio frequency (RF) plasma reactor. Film morphology, structure and composition were investigated by scanning electron microscopy (SEM), time of flight secondary ion mass spectrometry (ToF-SIMS) and X-ray photoelectron spectroscopy (XPS). High-resolution transmission electron microscopy (HR-TEM) was used for the investigation of thickness and growth direction of the product layer. TEM lamellae were prepared using the focused ion beam (FIB) technique. Bioactivity of the surface coatings was tested by cultivation of primary human osteoblasts and subsequent analysis of cell morphology, viability, proliferation and differentiation. The results are correlated with the amount of strontium that is released from the coating in biomedical buffer solution, quantified by inductively coupled plasma mass spectrometry (ICP-MS). Results: Dense coatings, consisting of SrOxCly, of more than 100 nm thickness and columnar structure, were prepared. TEM images of cross sections clearly show an incoherent but well-structured interface between coating and substrate without any cracks. Sr2+ is released from the SrOxCly coating into physiological solution as proven by ICP-MS analysis. Cell culture studies showed excellent biocompatibility of the functionalized alloy. Conclusions: Ti-40Nb alloy, a potential orthopedic implant material for osteoporosis patients, could be successfully plasma coated with a dense SrOxCly film. The material performed well in in vitro tests. Nevertheless, the Sr2+ release must be optimized in future work to meet the requirements of an effective drug delivery system.