Journal Article (613)
201.
Journal Article
Stability of charged sulfur vacancies in 2D and bulk MoS2 from plane-wave density functional theory with electrostatic corrections. Physical Review Materials 4 (6), 064004 (2020)
202.
Journal Article
Mechanism of collective interstitial ordering in Fe–C alloys. Nature Materials 19, pp. 849 - 854 (2020)
203.
Journal Article
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 101 (17), 174437 (2020)
204.
Journal Article
Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni. Physical Review B 101 (14), 144108 (2020)
205.
Journal Article
Ab initio Description of Bond-Breaking in Large Electric Fields. Physical Review Letters 124 (17), 176801 (2020)
206.
Journal Article
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 (11), 113903 (2020)
207.
Journal Article
Combined Al and C alloying enables mechanism-oriented design of multi-principal element alloys: Ab initio calculations and experiments. Scripta Materialia 178, pp. 366 - 371 (2020)
208.
Journal Article
Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy. Physical Review Letters 124 (10), 106102 (2020)
209.
Journal Article
Role of magnetic ordering for the design of quinary TWIP-TRIP high entropy alloys. Physical Review Materials 4 (3), 033601 (2020)
210.
Journal Article
Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 101 (9), 094201 (2020)
211.
Journal Article
Control of thermally stable core-shell nano-precipitates in additively manufactured Al–Sc–Zr alloys. Additive Manufacturing 32, 100910 (2020)
212.
Journal Article
Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 68, 101731 (2020)
213.
Journal Article
Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys. Physical Review Materials 4 (2), 023608 (2020)
214.
Journal Article
Dislocation-induced breakthrough of strength and ductility trade-off in a non-equiatomic high-entropy alloy. Acta Materialia 185, pp. 45 - 54 (2020)
215.
Journal Article
On the assessment of creep damage evolution in nickel-based superalloys through correlative HR-EBSD and cECCI studies. Acta Materialia 185, pp. 13 - 27 (2020)
216.
Journal Article
A decohesion pathway for hydrogen embrittlement in nickel: Mechanism and quantitative prediction. Acta Materialia 185, pp. 98 - 109 (2020)
217.
Journal Article
Finite-size corrections for defect-involving vertical transitions in supercell calculations. Physical Review B 101, 020102(R) (2020)
218.
Journal Article
Unfolding the complexity of phonon quasi-particle phys-ics in disordered materials. npj Computational Materials 6, 4 (2020)
219.
Journal Article
Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 183, pp. 362 - 376 (2020)
220.
Journal Article
Unveiling the mechanism of abnormal magnetic behavior of FeNiCoMnCu high-entropy alloys through a joint experimental - theoretical study. Physical Review Materials 4, 014402 (2020)