Publications
Journal Article (218)
1.
Journal Article
Interfacial segregation of carbon atoms: the competition between grain boundaries and phase boundaries. Scripta Materialia 268, 116842 (2025)
2.
Journal Article
Electric field induced formation of a two-dimensional adatom gas on cryogenic Li surfaces. Physical Review B 112 (11), 115426 (2025)
3.
Journal Article
Temperature and misorientation-dependent austenite nucleation at ferrite grain boundaries in a medium manganese steel: role of misorientation-dependent grain boundary segregation. Acta Materialia 296, 121242 (2025)
4.
Journal Article
Boron triggers grain boundary structural transformation in steel. Nature Communications 16 (1), 6927 (2025)
5.
Journal Article
Management of reference data in materials science and engineering exemplified for creep data of a singlecrystalline Nibased superalloy. Acta Materialia 286, 120735 (2025)
6.
Journal Article
Automated optimization and uncertainty quantification of convergence parameters in plane wave density functional theory calculations. npj Computational Materials 10 (1), 263 (2024)
7.
Journal Article
From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows. npj Computational Materials 10 (1), 261 (2024)
8.
Journal Article
Metastable defect phase diagrams as roadmap to tailor chemically driven defect formation. Acta Materialia 277, 120145 (2024)
9.
Journal Article
Machine Learning-Enabled Tomographic Imaging of Chemical Short-Range Atomic Ordering. Advanced Materials 36 (44), 2407564 (2024)
10.
Journal Article
Harvesting nucleating structures in nanoparticle crystallization: The example of gold, silver, and iron. The Journal of Chemical Physics 161 (4), 044108 (2024)
11.
Journal Article
The effect of Laves phases and nano-precipitates on the electrochemical corrosion resistance of Mg–Al–Ca alloys under alkaline conditions. Journal of Magnesium and Alloys 12 (6), pp. 2447 - 2461 (2024)
12.
Journal Article
Effect of Sn on stacking fault energies in zirconium and its hydrides. Physical Review Materials 8 (3), 033605 (2024)
13.
Journal Article
Melting properties of the refractory metals V and W and the binary VW alloy fully from first principles. Physical Review B 109, 094110 (2024)
14.
Journal Article
Diffusion-controlled growth and microstructural evolution between Pt and Pd containing B2-NiAl bondcoats and Ni-based single crystal superalloy. Acta Materialia 266, 119687 (2024)
15.
Journal Article
Effect of stacking fault energy on the thickness and density of annealing twins in recrystallized FCC medium and high-entropy alloys. Scripta Materialia 240, 115844 (2024)
16.
Journal Article
Tailoring negative pressure by crystal defects: Microcrack induced hydride formation in Al alloys. Physical Review Materials 7, 105401 (2023)
17.
Journal Article
Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1−x)13. Journal of Physics: Energy 5 (3), 034004 (2023)
18.
Journal Article
Coherent twin-oriented Al3Sc-based precipitates in Al matrix. Scripta Materialia 229, 115351 (2023)
19.
Journal Article
Influence of spin fluctuations on structural phase transitions of iron. Physical Review B 107 (10), 104108 (2023)
20.
Journal Article
Decomposition-resistant carbonitride precipitates in X30CrMoN15-1 high-nitrogen bearing steel deformed by high-pressure torsion. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 863, 144529 (2023)