Journal Article (533)
121.
Journal Article
4 (6), 064004 (2020)
Stability of charged sulfur vacancies in 2D and bulk MoS2 from plane-wave density functional theory with electrostatic corrections. Physical Review Materials 122.
Journal Article
19, pp. 849 - 854 (2020)
Mechanism of collective interstitial ordering in Fe–C alloys. Nature Materials 123.
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 124.
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 125.
Journal Article
124 (17), 176801 (2020)
Ab initio Description of Bond-Breaking in Large Electric Fields. Physical Review Letters 126.
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 127.
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 128.
Journal Article
124 (10), 106102 (2020)
Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy. Physical Review Letters 129.
Journal Article
4 (3), 033601 (2020)
Role of magnetic ordering for the design of quinary TWIP-TRIP high entropy alloys. Physical Review Materials 130.
Journal Article
101 (9), 094201 (2020)
Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 131.
Journal Article
32, 100910 (2020)
Control of thermally stable core-shell nano-precipitates in additively manufactured Al–Sc–Zr alloys. Additive Manufacturing 132.
Journal Article
68, 101731 (2020)
Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 133.
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 134.
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 135.
Journal Article
185, pp. 13 - 27 (2020)
On the assessment of creep damage evolution in nickel-based superalloys through correlative HR-EBSD and cECCI studies. Acta Materialia 136.
Journal Article
185, pp. 98 - 109 (2020)
A decohesion pathway for hydrogen embrittlement in nickel: Mechanism and quantitative prediction. Acta Materialia 137.
Journal Article
101, 020102(R) (2020)
Finite-size corrections for defect-involving vertical transitions in supercell calculations. Physical Review B 138.
Journal Article
6, 4 (2020)
Unfolding the complexity of phonon quasi-particle phys-ics in disordered materials. npj Computational Materials 139.
Journal Article
183, pp. 362 - 376 (2020)
Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 140.
Journal Article
4, 014402 (2020)
Unveiling the mechanism of abnormal magnetic behavior of FeNiCoMnCu high-entropy alloys through a joint experimental - theoretical study. Physical Review Materials