Publications
Journal Article (199)
1.
Journal Article
7 (1), 014410 (2023)
Combined ab initio and experimental screening of phase stabilities in the Ce–Fe–Ti–X system (X=3d and 4d metals). Physical Review Materials 2.
Journal Article
Metastable defect phase diagrams as a tool to describe chemically driven defect formation: Application to planar defects. arXiv preprint arXiv:2303.07504 (2023)
3.
Journal Article
9 (4), 041311 (2022)
Defect-characterized phase transition kinetics. Applied Physics Reviews 4.
Journal Article
245, 110211 (2022)
Stacking faults in a mechanically strong Al(Mg)–Al3Mg2 composite. Composites Part B: Engineering 5.
Journal Article
126 (40), pp. 17456 - 17469 (2022)
Nonclassical Nucleation of Zinc Oxide from a Physically Motivated Machine-Learning Approach. The Journal of Physical Chemistry C 6.
Journal Article
Tailoring negative pressure by crystal defects: Crack induced hydride formation in Al alloys. Condensed Matter: Materials Science (2022)
7.
Journal Article
Effect of Sn on Generalized Stacking Fault Energy Surfaces in Zirconium and its Hydrides. Condensed Matter: Materials Science (2022)
8.
Journal Article
22, 101425 (2022)
The influence of temperature on the strain-hardening behavior of Fe–22/25/28Mn–3Al–3Si TRIP/TWIP steels. Materialia 9.
Journal Article
226, 117608 (2022)
Non-uniform He bubble formation in W/W2C composite: Experimental and ab-initio study. Acta Materialia 10.
Journal Article
105 (16), 064425 (2022)
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 11.
Journal Article
602, pp. 437 - 441 (2022)
Hydrogen trapping and embrittlement in high-strength Al-alloys. Nature 12.
Journal Article
833, 142372 (2022)
Cementite decomposition in 100Cr6 bearing steel during high-pressure torsion: Influence of precipitate composition, size, morphology and matrix hardness. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 13.
Journal Article
6 (1), 014403 (2022)
Unveiling nonmonotonic chemical trends in the solubility of H in complex Fe–Cr–Mn carbides by means of ab initio based approaches. Physical Review Materials 14.
Journal Article
144 (2), pp. 987 - 994 (2022)
Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering. Journal of the American Chemical Society 15.
Journal Article
7 (1), 34 (2021)
Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys. npj Computational Materials 16.
Journal Article
104 (17), 174435 (2021)
Collapse of a region of the magnetic phase diagram of elemental terbium under a strain-induced Lifshitz transition. Physical Review B 17.
Journal Article
90, pp. 159 - 167 (2021)
Effects of cryogenic temperature on tensile and impact properties in a medium-entropy VCoNi alloy. Journal of Materials Science & Technology 18.
Journal Article
104 (13), 134101 (2021)
Barocaloric properties of quaternary Mn3(Zn,In)N for room-temperature refrigeration applications. Physical Review B 19.
Journal Article
216, 117135 (2021)
Element-resolved local lattice distortion in complex concentrated alloys: An observable signature of electronic effects. Acta Materialia 20.
Journal Article
12 (1), 4703 (2021)
Shear band-driven precipitate dispersion for ultrastrong ductile medium-entropy alloys. Nature Communications