Journal Article (216)
41.
Journal Article
126 (25), 255502 (2021)
Hidden Effects of Negative Stacking Fault Energies in Complex Concentrated Alloys. Physical Review Letters 42.
Journal Article
5 (5), 053803 (2021)
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys. Physical Review Materials 43.
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 44.
Journal Article
14 (8), 1837 (2021)
A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc. Materials 45.
Journal Article
31 (7), 2007668 (2021)
Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition. Advanced Functional Materials 46.
Journal Article
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 47.
Journal Article
103 (2), 024421 (2021)
Ab initio based models for temperature-dependent magnetochemical interplay in bcc Fe–Mn alloys. Physical Review B 48.
Journal Article
103 (2), 024410 (2021)
Short period magnetization texture of B20–MnGe explained by thermally fluctuating local moments. Physical Review B 49.
Journal Article
14, pp. 1830 - 1836 (2021)
Design of compositionally complex catalysts: Role of surface segregation. Journal of Materials Research and Technology 50.
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 51.
Journal Article
66 (2021)
Defect phases–thermodynamics and impact on material properties. International Materials Reviews 52.
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 53.
Journal Article
101 (1), pp. 59 - 76 (2021)
The role of electric current in the formation of white-etching-cracks. Philosophical Magazine 54.
Journal Article
533, 147471 (2020)
Surface segregation in Cr–Mn–Fe–Co–Ni high entropy alloys. Applied Surface Science 55.
Journal Article
6, 191 (2020)
Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries. npj Computational Materials 56.
Journal Article
4, 113802 (2020)
Short-range order in face-centered cubic VCoNi alloys. Physical Review Materials 57.
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 58.
Journal Article
102 (10), 100101(R) (2020)
Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond. Physical Review B 59.
Journal Article
196, pp. 710 - 722 (2020)
Design of a V–Ti–Ni alloy with superelastic nano-precipitates. Acta Materialia 60.
Journal Article
195, pp. 35 - 49 (2020)
Diffusion, defects and understanding the growth of a multicomponent interdiffusion zone between Pt-modified B2 NiAl bond coat and single crystal superalloy. Acta Materialia