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