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Zeitschriftenartikel (270)
1.
Zeitschriftenartikel
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 2.
Zeitschriftenartikel
6, 191 (2020)
Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries. npj Computational Materials 3.
Zeitschriftenartikel
4, 113802 (2020)
Short-range order in face-centered cubic VCoNi alloys. Physical Review Materials 4.
Zeitschriftenartikel
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 5.
Zeitschriftenartikel
102 (10), 100101(R) (2020)
Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond. Physical Review B 6.
Zeitschriftenartikel
4 (8), 083604 (2020)
Phase diagram of grain boundary facet and line junctions in silicon. Physical Review Materials 7.
Zeitschriftenartikel
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 8.
Zeitschriftenartikel
124 (17), 176801 (2020)
Ab initio Description of Bond-Breaking in Large Electric Fields. Physical Review Letters 9.
Zeitschriftenartikel
124, 106102 (2020)
Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy. Physical Review Letters 10.
Zeitschriftenartikel
4 (3), 033601 (2020)
Role of magnetic ordering for the design of quinary TWIP-TRIP high entropy alloys. Physical Review Materials 11.
Zeitschriftenartikel
101 (9), 094201 (2020)
Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 12.
Zeitschriftenartikel
68, 101731 (2020)
Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 13.
Zeitschriftenartikel
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 14.
Zeitschriftenartikel
183, S. 362 - 376 (2020)
Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2. Acta Materialia 15.
Zeitschriftenartikel
102 (4), 045403 (2020)
Generalized dipole correction for charged surfaces in the repeated-slab approach. Physical Review B 16.
Zeitschriftenartikel
Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition. Advanced Functional Materials (2007668), 2007668 (2020)
17.
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Mechanism of collective interstitial ordering in Fe–C alloys. Nature Materials (2020)
18.
Zeitschriftenartikel
21 (12), 123020 (2019)
Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 19.
Zeitschriftenartikel
123 (23), 235501 (2019)
Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 20.
Zeitschriftenartikel
9 (1), 9047-9057 (2019)
Role of hole confinement in the recombination properties of InGaN quantum structures. Scientific Reports