Dierk Raabe

Dierk Raabe
Max Planck Society | MPG · Max-Planck Institut für Eisenforschung

I work on sustainable metallurgy, hydrogen, microstructure, alloy design, computational materials science and APT.

About

2,696
Publications
628,752
Reads
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76,572
Citations
Citations since 2016
717 Research Items
57346 Citations
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Introduction
I am interested in the design of metallic materials and their microstructures with advanced property profiles. For this I develop and use thermodynamics, microstructure-property models, microstructure physics and atom probe tomography. I also work on sustainable metallurgy. https://damask.mpie.de/ https://damask3.mpie.de/ https://www.mpie.de/microstructure-physics-and-alloy-design
Additional affiliations
July 1992 - July 1997
RWTH Aachen University
Position
  • Habilitation
July 1989 - July 1992
RWTH Aachen University
Position
  • Doktor Ing.
Education
July 1984 - July 1989
RWTH Aachen University
Field of study
  • Metal Physics and Physical Metallurgy

Publications

Publications (2,696)
Article
Full-text available
Materials for extreme environments can help to protect people, structures and the planet. Extreme temperatures in aeroplane engines, hypervelocity micrometeoroid impacts on satellites, high-speed machining of ceramics and strong radiation doses in nuclear reactors are just some examples of extreme conditions that materials need to withstand. In thi...
Article
Phase-field-based models have become common in material science, mechanics, physics, biology, chemistry, and engineering for the simulation of microstructure evolution. Yet, they suffer from the drawback of being computationally very costly when applied to large, complex systems. To reduce such computational costs, a Unet-based artificial neural ne...
Article
Full-text available
High-entropy alloys are solid solutions of multiple principal elements that are capable of reaching composition and property regimes inaccessible for dilute materials. Discovering those with valuable properties, however, too often relies on serendipity, because thermodynamic alloy design rules alone often fail in high-dimensional composition spaces...
Preprint
Full-text available
Dissolution of electrocatalysts during long-term and dynamic operation is a challenging problem in energy conversion and storage devices such as fuel cells and electrolyzers. To develop stable electrocatalysts, we adopt the design concept of segregation engineering, which uses solute segregation prone to electrochemical dissolution at internal defe...
Preprint
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Deep Reinforcement Learning (DRL) is employed to develop autonomously optimized and custom-designed heat-treatment processes that are both, microstructure-sensitive and energy efficient. Different from conventional supervised machine learning, DRL does not rely on static neural network training from data alone, but a learning agent autonomously dev...
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Solid-state redox-driven phase transformation is associated with mass loss, accommodated by vacancies that develop into pores. These influence the kinetics of the redox reactions and phase transformation. We have investigated the underlying structural and chemical mechanisms in and at pores in a combined experimental-theoretical study, using the re...
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To advance the understanding of the degradation of the liquid electrolyte and Si electrode, and their interface, we exploit the latest developments in cryo-atom probe tomography. We evidence Si anode corrosion from the decomposition of the Li salt before charge-discharge cycles even begin. Volume shrinkage during delithiation leads to the developme...
Article
While age-hardened austenitic high-Mn and high-Al lightweight steels exhibit excellent strength-ductility combinations, their properties are strongly degraded when mechanically loaded under harsh environments, e.g. with the presence of hydrogen (H). The H embrittlement in this type of materials, especially pertaining to the effect of κ-carbide prec...
Preprint
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The purpose of this work is the development of an artificial neural network (ANN) for surrogate modeling of the mechanical response of viscoplastic grain microstructures. To this end, a U-Net-based convolutional neural network (CNN) is trained to account for the history dependence of the material behavior. The training data take the form of numeric...
Article
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Soft magnetic materials (SMMs) serve in electrical applications and sustainable energy supply, allowing magnetic flux variation in response to changes in applied magnetic field, at low energy loss 1. The electrification of transport, households and manufacturing leads to an increase in energy consumption due to hysteresis losses 2. Therefore, minim...
Preprint
Fe- and steelmaking is the largest single industrial CO2 emitter, accounting for 6.5% of all CO2 emissions on the planet. This fact challenges the current technologies to achieve carbon-lean steel production and to align with the requirement of a drastic reduction of 80% in all CO2 emissions by around 2050. Thus, alternative reduction technologies...
Article
To successfully transition from fossil-fuel to sustainable carbon-free energy carriers, a safe, stable and high-density energy storage technology is required. The combustion of iron powders seems very promising in this regard. Yet, little is known about their in-process morphological and microstructural evolution, which are critical features for th...
Article
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Stacking faults (SFs), similar to other planar defects such as grain boundaries, twin boundaries and heterogeneous interfaces, can be tailored to simultaneously increase strength and ductility of metal matrix composites. However, SFs are rarely observed in Al alloy matrix composites, resulting from the high stacking fault energy (SFE) (166 mJ/m²) o...
Article
Advanced lightweight high-strength steels are often compositionally and microstructurally complex. While this complex feature enables the activation of multiple strengthening and strain-hardening mechanisms, it also leads to a complicated damage behavior, especially in the presence of hydrogen (H). The mechanisms of hydrogen embrittlement (HE) in t...
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We have developed a deep-learning-based framework for understanding the individual and mutually combined contributions of different alloying elements and environmental conditions towards the pitting resistance of corrosion-resistant alloys. A fully connected deep neural network (DNN) was trained on previously published datasets on corrosion-relevan...
Article
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In conventional processing, metals go through multiple manufacturing steps including casting, plastic deformation, and heat treatment to achieve the desired property. In additive manufacturing (AM) the same target must be reached in one fabrication process, involving solidification and cyclic remelting. The thermodynamic and kinetic differences bet...
Preprint
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Si-anodes have long been candidates thanks to an expected ten-fold increase in capacity compared to graphite. However, details of the mechanisms governing their degradation remain elusive, hindering science-guided development of long-lived Si-based anodes. Here we demonstrate how the latest developments in cryo-atom probe tomography enable the in-d...
Article
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High-resolution three-dimensional crystal plasticity simulations are used to investigate deformation heterogeneity and microstructure evolution during cold rolling of interstitial free (IF-) steel. A Fast Fourier Transform (FFT)-based spectral solver is used to conduct crystal plasticity simulations using a dislocation-density-based crystal plastic...
Article
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Deformation twinning is rarely found in bulk face-centered cubic (FCC) alloys with very high stacking fault energy (SFE) under standard loading conditions. Here, based on results from bulk quasi-static tensile experiments, we report deformation twinning in a micrometer grain-sized compositionally complex steel (CCS) with a very high SFE of~79 mJ/m...
Article
Full-text available
Deformation twinning is rarely found in bulk face-centered cubic (FCC) alloys with very high stacking fault energy (SFE) under standard loading conditions. Here, based on results from bulk quasi-static tensile experiments, we report deformation twinning in a micrometer grain-sized compositionally complex steel (CCS) with a very high SFE of ~79 mJ/m...
Preprint
Full-text available
Mn enrichment at dislocations in Fe-Mn alloys due to segregation and spinodal decomposition along the dislocation line is studied via modeling and experimental characterization. To model these phenomena, both finite-deformation microscopic phase-field chemomechanics (MPFCM) and Monte Carlo molecular dynamics (MCMD) are employed. MPFCM calibration i...
Preprint
Full-text available
Soft magnetic materials (SMMs) serve in electrical applications and sustainable energy supply, allowing magnetic flux variation in response to changes in applied magnetic field, at low energy loss1. The electrification of transport, households and manufacturing leads to an increase in energy consumption due to hysteresis losses2. Therefore, minimiz...
Article
Full-text available
Alloys processed by laser powder-bed fusion show distinct microstructures composed of dislocation cells, dispersed nanoparticles, and columnar grains. Upon post-build annealing, such alloys show sluggish recrystallization kinetics compared to the conventionally processed counterpart. To understand this behavior, AISI 316L stainless steel samples we...
Article
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We investigated the effects of interstitial N and C on the stacking fault energy (SFE) of an equiatomic CoCrNi medium entropy alloy. Results of computer modeling were compared to tensile deformation and electron microscopy data. Both N and C in solid solution increase the SFE of the face-centered cubic (FCC) alloy matrix at room temperature, with t...
Preprint
Full-text available
Phase-field-based models have become common in material science, mechanics, physics, biology, chemistry, and engineering for the simulation of microstructure evolution. Yet, they suffer from the drawback of being computationally very costly when applied to large, complex systems. To reduce such computational costs, a Unet-based artificial neural ne...
Preprint
Full-text available
Fracture in aluminum alloys with precipitates involves at least two mechanisms, namely, ductile fracture of the aluminum-rich matrix and brittle fracture of the precipitates. In this work, a coupled crystal plasticity-phase field model for mixed ductile-brittle failure modes is formulated and used to investigate the effect of precipitate morphology...
Article
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The enormous magnitude of 2 billion tons of alloys produced per year demands a change in design philosophy to make materials environmentally, economically, and socially more sustainable. This disqualifies the use of critical elements that are rare or have questionable origin. Amongst the major alloy strengthening mechanisms, a high-dispersion of se...
Article
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There are several facets of aluminum when it comes to sustainability. While it helps to save fuel due to its low density, producing it from ores is very energy-intensive. Recycling it shifts the balance towards higher sustainability, because the energy needed to melt aluminum from scrap is only about 5% of that consumed in ore reduction. The amount...
Article
The influence of temperature and stacking fault energy (SFE) on the strain-hardening behavior and critical resolved shear stress for twinning was investigated for three Fe–22/25/28Mn–3Al–3Si wt.% transformation- and twinning-induced plasticity (TRIP/TWIP) steels. The SFEs were calculated by two different methods, density functional theory and stati...
Article
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A seamless and lossless transition of the constitutive description of the elastic response of materials between atomic and continuum scales has been so far elusive. Here we show how this problem can be overcome by using artificial intelligence (AI). A convolutional neural network (CNN) model is trained, by taking the structure image of a nanoporous...
Article
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The complex interplay between chemistry, microstructure, and behavior of many engineering materials has been investigated predominantly by experimental methods. Parallel to the increase in computer power, advances in computational modeling methods have resulted in a level of sophistication which is comparable to that of experiments. At the continuu...
Preprint
There are several facets of aluminum when it comes to sustainability. While it helps to save fuel due to its low density, producing it from ores is very energy-intensive. Recycling it shifts the balance towards higher sustainability, because the energy needed to melt aluminum from scrap is only about 5% of that consumed in ore reduction. The amount...
Article
Full-text available
Significance About 90% of all mechanical service failures are caused by fatigue. Avoiding fatigue failure requires addressing the wide knowledge gap regarding the micromechanical processes governing damage under cyclic loading, which may be fundamentally different from that under static loading. This is particularly true for deformation-induced mar...
Article
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Interstitials, e.g., C, N, and O, are attractive alloying elements as small atoms on interstitial sites create strong lattice distortions and hence substantially strengthen metals. However, brittle ceramics such as oxides and carbides usually form, instead of solid solutions, when the interstitial content exceeds a critical yet low value (e.g., 2 a...
Article
The reduction of iron ore with carbon-carriers is one of the largest sources of greenhouse gas emissions in the industry, motivating global activities to replace the coke-based blast furnace reduction by hydrogen-based direct reduction (HyDR). Iron oxide reduction with hydrogen has been widely investigated both experimentally and theoretically. The...
Preprint
Full-text available
High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those with valuable properties, however, relies on serendipity, as thermodynamic alloy design rules alone often fail in high-dimensional composition spaces. Here, we propose an ac...
Article
Full-text available
Ever more stringent regulations on greenhouse gas emissions from transportation motivate efforts to revisit materials used for vehicles1. High-strength aluminium alloys often used in aircrafts could help reduce the weight of automobiles, but are susceptible to environmental degradation2,3. Hydrogen ‘embrittlement’ is often indicated as the main cul...
Article
Full-text available
Steel production causes a third of all industrial CO2 emissions due to the use of carbon-based substances as reductants for iron ores, making it a key driver of global warming. Therefore, research efforts aim at replacing these reductants with sustainably produced hydrogen. Hydrogen-based direct reduction (HyDR) is an attractive processing technolo...
Article
Full-text available
Numerous metallurgical and materials science applications depend on quantitative atomic-scale characterizations of environmentally-sensitive materials and their transient states. Studying the effect upon materials subjected to thermochemical treatments in specific gaseous atmospheres is of central importance for specifically studying a material’s r...
Article
Full-text available
Fossil-free ironmaking is indispensable for reducing massive anthropogenic CO2 emissions in the steel industry. Hydrogen-based direct reduction (HyDR) is among the most attractive solutions for green ironmaking, with high technology readiness. The underlying mechanisms governing this process are characterized by a complex interaction of several che...
Article
Iron- and steelmaking cause ∼7% of the global CO2 emissions, due to the use of carbon for the reduction of iron ores. Replacing carbon by hydrogen as the reductant offers a pathway to massively reduce these emissions. However, the production of hydrogen using renewable energy will remain as one of the bottlenecks at least during the next two decade...
Preprint
Full-text available
Iron- and steelmaking cause ~7% of the global CO2 emissions, due to the use of carbon for the reduction of iron ores. Replacing carbon by hydrogen as the reductant offers a pathway to reduce emissions. However, production of hydrogen using renewable energy will remain a bottlenecks, because making the annual crude steel production of 1.8 billion to...
Preprint
Full-text available
Fossil-free ironmaking is indispensable for reducing massive anthropogenic CO2 emissions in the steel industry. Hydrogen-based direct reduction (HyDR) is among the most attractive solutions for green ironmaking, with high technology readiness. The underlying mechanisms governing this process are characterized by a complex interaction of several che...
Article
Titanium alloys can suffer from halide-associated stress corrosion cracking at elevated temperatures e.g., in jet engines, where chlorides and Ti-oxide promote the cracking of water vapour in the gas stream, depositing embrittling species at the crack tip. Here we report, using isotopically-labelled experiments, that crack tips in an industrial Ti-...
Preprint
Full-text available
Ever more stringent regulations on greenhouse gas emissions from transportation motivate efforts to revisit materials used for vehicles. High-strength Al-alloys often used in aircrafts could help reduce the weight of automobiles, but are susceptible to environmental degradation. Hydrogen (H) "embrittlement" is often pointed as the main culprit, how...
Article
Full-text available
Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of polycrystalline materials. Hence, their structures have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the atomic length scale inside bulk mate...
Article
In this article, we present the first archaeological evidence for crucible steel production in Anatolia uncovered in recent excavations at Kubadabad, which was built as a palace by the Anatolian Seljuks in the early 13th century AD. Along with plenty of crucible sherds recovered at the site, blades made of crucible steel, production waste-iron chun...