Journal Article (199)
21.
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 22.
Journal Article
5 (6), 064403 (2021)
Influence of crystalline defects on magnetic nanodomains in a rare-earth-free magnetocrystalline anisotropic alloy. Physical Review Materials 23.
Journal Article
126 (25), 255502 (2021)
Hidden Effects of Negative Stacking Fault Energies in Complex Concentrated Alloys. Physical Review Letters 24.
Journal Article
5 (5), 053803 (2021)
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys. Physical Review Materials 25.
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 26.
Journal Article
14 (8), 1837 (2021)
A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc. Materials 27.
Journal Article
31 (7), 2007668 (2021)
Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition. Advanced Functional Materials 28.
Journal Article
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 29.
Journal Article
103 (2), 024421 (2021)
Ab initio based models for temperature-dependent magnetochemical interplay in bcc Fe–Mn alloys. Physical Review B 30.
Journal Article
103 (2), 024410 (2021)
Short period magnetization texture of B20–MnGe explained by thermally fluctuating local moments. Physical Review B 31.
Journal Article
14, pp. 1830 - 1836 (2021)
Design of compositionally complex catalysts: Role of surface segregation. Journal of Materials Research and Technology 32.
Journal Article
104 (18), 184107 (2021)
Impact of magnetic transition on Mn diffusion in alpha-iron: Correlative state-of-the-art theoretical and experimental study. Physical Review B 33.
Journal Article
66 (2021)
Defect phases–thermodynamics and impact on material properties. International Materials Reviews 34.
Journal Article
103 (5), 054506 (2021)
Ab initio study of the structural response to magnetic disorder and van der Waals interactions in FeSe. Physical Review B 35.
Journal Article
Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials, 2102638 (2021)
36.
Journal Article
101 (1), pp. 59 - 76 (2021)
The role of electric current in the formation of white-etching-cracks. Philosophical Magazine 37.
Journal Article
533, 147471 (2020)
Surface segregation in Cr–Mn–Fe–Co–Ni high entropy alloys. Applied Surface Science 38.
Journal Article
6, 191 (2020)
Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries. npj Computational Materials 39.
Journal Article
4, 113802 (2020)
Short-range order in face-centered cubic VCoNi alloys. Physical Review Materials 40.
Journal Article
102 (14), 144101 (2020)
Atomic relaxation around defects in magnetically disordered materials computed by atomic spin constraints within an efficient Lagrange formalism. Physical Review B