The materials science behind sustainable metals and alloys

D Raabe - Chemical reviews, 2023 - ACS Publications
Production of metals stands for 40% of all industrial greenhouse gas emissions, 10% of the
global energy consumption, 3.2 billion tonnes of minerals mined, and several billion tonnes …

Current challenges and opportunities in microstructure-related properties of advanced high-strength steels

D Raabe, B Sun, A Kwiatkowski Da Silva… - … Materials Transactions A, 2020 - Springer
This is a viewpoint paper on recent progress in the understanding of the microstructure–
property relations of advanced high-strength steels (AHSS). These alloys constitute a class …

[HTML][HTML] DAMASK–The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single …

F Roters, M Diehl, P Shanthraj, P Eisenlohr… - Computational Materials …, 2019 - Elsevier
Crystal Plasticity (CP) modeling is a powerful and well established computational materials
science tool to investigate mechanical structure–property relations in crystalline materials. It …

[HTML][HTML] Hierarchical nature of hydrogen-based direct reduction of iron oxides

Y Ma, IR Souza Filho, Y Bai, J Schenk, F Patisson… - Scripta Materialia, 2022 - Elsevier
Fossil-free ironmaking is indispensable for reducing massive anthropogenic CO 2 emissions
in the steel industry. Hydrogen-based direct reduction (HyDR) is among the most attractive …

Unveiling the Re effect in Ni-based single crystal superalloys

X Wu, SK Makineni, CH Liebscher, G Dehm… - Nature …, 2020 - nature.com
Single crystal Ni-based superalloys have long been an essential material for gas turbines in
aero engines and power plants due to their outstanding high temperature creep, fatigue and …

An integrated crystal plasticity–phase field model for spatially resolved twin nucleation, propagation, and growth in hexagonal materials

C Liu, P Shanthraj, M Diehl, F Roters, S Dong… - International Journal of …, 2018 - Elsevier
Typical hexagonal engineering materials, such as magnesium and titanium, deform
extensively through shear strains and crystallographic re-orientations associated with the …

Phase-field modeling of crack propagation in heterogeneous materials with multiple crack order parameters

L Schöller, D Schneider, C Herrmann, A Prahs… - Computer Methods in …, 2022 - Elsevier
The phase-field method is widely established for modeling crack propagation in material
science. It shows good agreement with analytical solutions and is able to describe a …

Chemo-mechanical phase-field modeling of iron oxide reduction with hydrogen

Y Bai, JR Mianroodi, Y Ma, AK da Silva, B Svendsen… - Acta Materialia, 2022 - Elsevier
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 …

A multiphase-field approach to small strain crystal plasticity accounting for balance equations on singular surfaces

A Prahs, L Schöller, FK Schwab, D Schneider… - Computational …, 2024 - Springer
An implementation of the crystal plasticity theory in the context of the multiphase-field
method provides a numerically efficient tracking of evolving grain boundaries, modeled as …

[HTML][HTML] CALPHAD-informed phase-field modeling of grain boundary microchemistry and precipitation in Al-Zn-Mg-Cu alloys

C Liu, A Garner, H Zhao, PB Prangnell, B Gault… - Acta Materialia, 2021 - Elsevier
The grain boundary (GB) microchemistry and precipitation behaviour in high-strength Al-Zn-
Mg-Cu alloys has an important influence on their mechanical and electrochemical …