Publications
Journal Article (191)
1.
Journal Article
226, 117608 (2022)
Non-uniform He bubble formation in W/W2C composite: Experimental and ab-initio study. Acta Materialia 2.
Journal Article
105 (16), 064425 (2022)
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 3.
Journal Article
602, pp. 437 - 441 (2022)
Hydrogen trapping and embrittlement in high-strength Al-alloys. Nature 4.
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 5.
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 6.
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 7.
Journal Article
7 (1), 34 (2021)
Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys. npj Computational Materials 8.
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 9.
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 10.
Journal Article
104 (13), 134101 (2021)
Barocaloric properties of quaternary Mn3(Zn,In)N for room-temperature refrigeration applications. Physical Review B 11.
Journal Article
216, 117135 (2021)
Element-resolved local lattice distortion in complex concentrated alloys: An observable signature of electronic effects. Acta Materialia 12.
Journal Article
12 (1), 4703 (2021)
Shear band-driven precipitate dispersion for ultrastrong ductile medium-entropy alloys. Nature Communications 13.
Journal Article
5 (7), 073801 (2021)
Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials. Physical Review Materials 14.
Journal Article
5 (6), 064403 (2021)
Influence of crystalline defects on magnetic nanodomains in a rare-earth-free magnetocrystalline anisotropic alloy. Physical Review Materials 15.
Journal Article
126 (25), 255502 (2021)
Hidden Effects of Negative Stacking Fault Energies in Complex Concentrated Alloys. Physical Review Letters 16.
Journal Article
5 (5), 053803 (2021)
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys. Physical Review Materials 17.
Journal Article
42, pp. 551 - 560 (2021)
Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study. Journal of Phase Equilibria 18.
Journal Article
14 (8), 1837 (2021)
A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc. Materials 19.
Journal Article
31 (7), 2007668 (2021)
Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition. Advanced Functional Materials 20.
Journal Article
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science