Publikationen von Jörg Neugebauer
Alle Typen
Zeitschriftenartikel (315)
41.
Zeitschriftenartikel
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 42.
Zeitschriftenartikel
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 43.
Zeitschriftenartikel
66 (2021)
Defect phases–thermodynamics and impact on material properties. International Materials Reviews 44.
Zeitschriftenartikel
103 (5), 054506 (2021)
Ab initio study of the structural response to magnetic disorder and van der Waals interactions in FeSe. Physical Review B 45.
Zeitschriftenartikel
Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials, 2102638 (2021)
46.
Zeitschriftenartikel
Origins of the hydrogen signal in atom probe tomography. Condensed Matter: Materials Science (2021)
47.
Zeitschriftenartikel
6, 191 (2020)
Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries. npj Computational Materials 48.
Zeitschriftenartikel
4, 113802 (2020)
Short-range order in face-centered cubic VCoNi alloys. Physical Review Materials 49.
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 50.
Zeitschriftenartikel
197, S. 54 - 68 (2020)
Atomistic deformation behavior of single and twin crystalline Cu nanopillars with preexisting dislocations. Acta Materialia 51.
Zeitschriftenartikel
102 (10), 100101(R) (2020)
Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond. Physical Review B 52.
Zeitschriftenartikel
4 (8), 083604 (2020)
Phase diagram of grain boundary facet and line junctions in silicon. Physical Review Materials 53.
Zeitschriftenartikel
102 (4), 045403 (2020)
Generalized dipole correction for charged surfaces in the repeated-slab approach. Physical Review B 54.
Zeitschriftenartikel
19, S. 849 - 854 (2020)
Mechanism of collective interstitial ordering in Fe–C alloys. Nature Materials 55.
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 56.
Zeitschriftenartikel
124 (17), 176801 (2020)
Ab initio Description of Bond-Breaking in Large Electric Fields. Physical Review Letters 57.
Zeitschriftenartikel
124 (10), 106102 (2020)
Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy. Physical Review Letters 58.
Zeitschriftenartikel
4 (3), 033601 (2020)
Role of magnetic ordering for the design of quinary TWIP-TRIP high entropy alloys. Physical Review Materials 59.
Zeitschriftenartikel
101 (9), 094201 (2020)
Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 60.
Zeitschriftenartikel
68, 101731 (2020)
Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad