Publications
Journal Article (160)
1.
Journal Article
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 2.
Journal Article
103 (2), 024410 (2021)
Short period magnetization texture of B20-MnGe explained by thermally fluctuating local moments. Physical Review B 3.
Journal Article
533, 147471 (2020)
Surface segregation in Cr–Mn–Fe–Co–Ni high entropy alloys. Applied Surface Science 4.
Journal Article
6, 191 (2020)
Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries. npj Computational Materials 5.
Journal Article
4, 113802 (2020)
Short-range order in face-centered cubic VCoNi alloys. Physical Review Materials 6.
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 7.
Journal Article
102 (10), 100101(R) (2020)
Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond. Physical Review B 8.
Journal Article
192, 108716 (2020)
Design of a dual-phase hcp-bcc high entropy alloy strengthened by ω nanoprecipitates in the Sc–Ti–Zr–Hf–Re system. Materials and Design 9.
Journal Article
101 (17), 174437 (2020)
First-order ferromagnetic transitions of lanthanide local moments in divalent compounds: An itinerant electron positive feedback mechanism and Fermi surface topological change. Physical Review B 10.
Journal Article
101 (14), 144108 (2020)
Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni. Physical Review B 11.
Journal Article
127 (11), 113903 (2020)
Caloric effects around phase transitions in magnetic materials described by ab initio theory: The electronic glue and fluctuating local moments. Journal of Applied Physics 12.
Journal Article
178, pp. 366 - 371 (2020)
Combined Al and C alloying enables mechanism-oriented design of multi-principal element alloys: Ab initio calculations and experiments. Scripta Materialia 13.
Journal Article
4 (3), 033601 (2020)
Role of magnetic ordering for the design of quinary TWIP-TRIP high entropy alloys. Physical Review Materials 14.
Journal Article
101 (9), 094201 (2020)
Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 15.
Journal Article
32, 100910 (2020)
Control of thermally stable core-shell nano-precipitates in additively manufactured Al–Sc–Zr alloys. Additive Manufacturing 16.
Journal Article
68, 101731 (2020)
Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 17.
Journal Article
4 (2), 023608 (2020)
Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys. Physical Review Materials 18.
Journal Article
185, pp. 45 - 54 (2020)
Dislocation-induced breakthrough of strength and ductility trade-off in a non-equiatomic high-entropy alloy. Acta Materialia 19.
Journal Article
183, pp. 362 - 376 (2020)
Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 20.
Journal Article
128 (15), 0025310 (2020)
Frontiers in atomistic simulations of high entropy alloys. Journal of Applied Physics