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A journey in science from a graduate student in physical chemistry to head of division biophotonics
(2024)
I will provide a personal overview of the most important steps of my career in science, a journey from a graduate student in physical chemistry in an environment dominated by male-scientists over a postdoc with a female professor in the US to the leader of a research group, head of division Biophotonics at BAM. This will include my choices of research topics, how I learnt to write well cited publications, even on topics such as reference materials and quality assurance,1-4 and eventually started to give lectures at Free University Berlin granting me the right to act as first supervisor of undergraduate and graduate students.
This talk addresses aging induced property changes of metallic glasses. Priority is given thermally and mechanically induced structural changes, of which the time-dependent dynamics is tracked using coherent scattering. Strong intermittency is observed and accelerated transport is seen at the smallest applied stresses. These findings have significant implications for how metallic glass components respond in realistic service conditions.
Following the new paradigm of materials development, design and optimization, digitalization is the main goal in materials sciences (MS) which imposes a huge challenge. In this respect, the quality assurance of processes and output data as well as the interoperability between applications following FAIR (findability, accessibility, interoperability, reusability) principles are to be ensured. For storage, processing, and querying of data in contextualized form, Semantic Web Technologies (SWT) are used since they allow for machine-actionable and human-readable knowledge representations needed for data management, retrieval, and (re)use.
In this respect, the motivation for digital transformation in materials sciences stemming from the need to handle the ever-increasing volume and complexity of data will be elaborated on. By embracing digital tools and methodologies, researchers can enhance the efficiency, accuracy, and reproducibility of their work. The benefits of digital transformation in materials sciences are manifold, including improved data management, enhanced collaboration, and accelerated innovation. Being a core component of this transformation, ensuring data reliability and reproducibility is critical for the advancement of the field, enabling researchers to build on each other's work with confidence. Implementing FAIR data principles facilitates this by making data more accessible and usable across different platforms and studies. Furthermore, Semantic Web technologies (SWT) and ontologies play a crucial role in achieving these goals. Ontologies, typically consisting of the T-Box (terminological component) and A-Box (assertional component), provide a structured framework for representing knowledge. This presentation will outline the path of ontology creation and the formal transformation procedure, highlighting the various ontology levels that organize data into meaningful hierarchies.
Real-world use cases presented, such as the Tensile Test Ontology (TTO) and the Orowan Demonstrator, illustrate the practical applications of these technologies. These examples will demonstrate how ontologies can be leveraged to standardize data and facilitate interoperability between different systems and research groups. Finally, in this presentation, Ontopanel is introduced, a tool designed to aid in the creation and management of ontologies. Ontopanel simplifies the process of developing and maintaining ontologies, making it accessible to researchers and practitioners in the field. By integrating these technologies and principles, the materials science community can move towards a more digital, interconnected, and efficient future making the knowledge and education on these topics very valuable.
Intermittent microplasticity via dislocation avalanches indicates scale-invariance, which is a paradigm shift away from traditional bulk deformation. Recently, we have developed an experimental method to trace the spatiotemporal dynamics of correlated dislocation activity (dislocation avalanches) in microcrystals (Phys. Rev. Mat. 2 (2018) 120601; Phys. Rev. Mat. 3 (2019) 080601). Here we exploit the temperature sensitive deformation of bcc metals. A marked change of the slip-size distribution is observed in the studied microcrystals, with increasingly small event-sizes dominating with decreasing temperature. This shows how a reduction in thermal energy increasingly suppresses the length-scale of dislocation avalanches, indicating how long-range correlations become gradually limited to the scale of the lattice. Our results further show that the stress-strain response is composed of strain-increments that are either thermally activated or essentially athermal. Temperature-dependent small-scale testing in combination with state-of-the-art discrete dislocation dynamics (DDD) simulations of Nb microcrystals are used to reveal these insights.
Quenching a metallic liquid sufficiently fast can give rise to an amorphous solid, typically referred to as a metallic glass. This out-of-equilibrium material has a long suite of remarkable mechanical and physical properties but suffers from property deterioration via structural relaxation. As a function of time, relaxation may indeed constitute significant threads to safe applications. Consequently, relaxation of glasses has a long history across different amorphous materials and typical characterization methods promote a picture of gradually evolving and smooth relaxation, as for example obtained from mechanical spectroscopy. However, the true structural dynamics and underlying mechanisms remain far from understood and have hampered a physically informed atomic-scale picture of transport and physical aging of glasses.
Here we exploit the ability to track atomic-scale dynamics with x-ray photon correlation spectroscopy (XPCS) and resolve an unprecedented spectrum of short- and long-term relaxation time scales in metallic glasses. Conducted across temperatures and under the application of stress, the results reveal anything else than smooth aging and gradual energy minimization. In fact, temporal fluctuations persist throughout isothermal conditions over several hundred thousand of seconds, demonstrating heterogeneous dynamics at the atomic scale. In concert with microsecond molecular dynamic simulations, we identify possible mechanisms of correlated atomic-scale dynamics that can underly the temporal fluctuations and structural decorrelations. Despite temporally heterogeneous, the Kohlrausch-Williams-Watts functions is well suited to capture the average intermediate relaxation time regime, but at very long time scales an asymptotic power-law emerges. This indicates anomalous diffusion and gives overall strong evidence for temporal fractional diffusion in metallic glasses. We discuss these results in terms of the structural fast and slow relaxation modes as well as a true microstructure in metallic glasses.
Inspired by the ability to track atomic-scale dynamics with x-ray photon correlation spectroscopy (XPCS)1 and recent results of long-term atomistic simulations on material transport2, we reveal here an unprecedented spectrum of short- and long-term relaxation dynamics. Tracked along a 300 000 s long isotherm at 0.98Tg, a Zr-based bulk metallic glass exhibits temporal fluctuations that persist throughout the entire isotherm, demonstrating a continuous heterogeneous dynamics at the probed length scale. In concert with microsecond molecular dynamic simulations, we identify intermittent cluster dynamics as the origin for temporal signatures in the corresponding intensity cross-correlations. Despite temporally heterogeneous aging, the Kohlrausch-Williams-Watts functions is well suited to capture the average intermediate relaxation time regime, but at very long time scales an asymptotic power-law better describes the data. This indicates anomalous diffusion and gives overall strong evidence for temporal fractional diffusion in metallic glasses. We discuss these results in terms of the underlying structural fast and slow relaxation modes and their manifestation in the temporal form of the structural decorrelations.
Metallic glasses (MGs) are disordered solids that exhibit a range of outstanding mechanical, thermomechanical, and functional properties. Whilst being a promising class of structural materials, well-defined and exploitable structure-property relationships are still lacking. This offsets them strongly from the crystalline counterparts, for which length-scale based property determination has been key for decades.
In recent years, both atomistic simulations and experiments have nurtured the view of heterogeneities that manifest themselves either as a structural partitioning into well-relaxed percolated network components and more frustrated domains in atomistic simulations, or as spatially-resolved property fluctuations revealed with atomic force microscopy. These signatures depend sensitively on the processing history and likely reflect emerging medium-range order fluctuations at the scale of 1-10 nanometers.
Here we demonstrate and discuss the emergence of spatially resolved property fluctuations at length scales that are one to two orders of magnitude larger. Such long-range decorrelation length scales are hard to reconcile in a monolithic glass but may offer the perspective of experimentally easy-to-access length-scale based structure-property relationships. Whilst long-range property fluctuations can be seen in both the plastic and elastic response, we focus here on high-throughput elastic nanoindentation mapping across the surface of a Zr-based model glass. After a deconvolution of surface topography and curvature effects, the spatially-resolved elastic response reveals an elastic microstructure with a correlation length of ca. 150-170 nm. Analytical scanning-transmission electron microscopy (STEM) is used to link the elastic property fluctuations to the chemistry and structure of the MG. In concert, nano-elastic mapping and STEM suggests that structural variations in the glass are responsible for the unexpectedly large length scales. We discuss these findings in terms of the materials processing history and the perspective of exploiting nanoindentation-based spatial mapping to uncover structural length scales in atomically disordered solids.
Advanced light weight applications like aircrafts and wind turbine blades are made of fibre reinforced plastics (FRP) with continuous fibre reinforcement and must withstand a high thermo-mechanical cyclic loading. The quality of the fibre matrix interface has a high impact on the fatigue life and was continuously improved over the years since the 50th. The fatigue life of glass fibre reinforced plastics (GFRP) used in aircraft industry is 10 to 100 times higher compared to glass fibre non crimp fabrics used for wind turbine blades.
To assure a constant and reliable high quality and strength of reinforcement fibres, synthetic fibre production is state of the art (CF, GF). There is a need for recycling GFRP and CFRP waste due to the upcoming use. Pyrolysis and solvolysis are more expensive than the mechanical route however enable a more sustainable recycling. Natural fibres and recycled synthetic fibres have a high scatter in quality and strength. Hence it is a challenge to optimize the production / recycling processes to get a reliable quality for any demanding (second life) application.
Chemical routes for using renewables resources and recycling, is going to be a good approach especially for polymer-matrix systems to get 100% quality (back) compared to the state of the art.
Finally, a proper design, life-time extension and repair is preferable to recycling to keep the carbon footprint as low as possible.