Publications of Jörg Neugebauer
All genres
Journal Article (85)
61.
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 62.
Journal Article
21 (12), 123020 (2019)
Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 63.
Journal Article
123 (23), 235501 (2019)
Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 64.
Journal Article
9 (1), 9047 (2019)
Role of hole confinement in the recombination properties of InGaN quantum structures. Scientific Reports 65.
Journal Article
5 (1), 80 (2019)
Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 66.
Journal Article
9 (6), 299 (2019)
Elasticity of phases in Fe–Al–Ti superalloys: Impact of atomic order and anti-phase boundaries. Crystals 67.
Journal Article
7 (MAR), 106 (2019)
The basics of electronic structure theory for periodic systems. Frontiers in Chemistry 68.
Journal Article
31, 1807142 (2019)
Ultrastrong Medium‐Entropy Single‐Phase Alloys Designed via Severe Lattice Distortion. Advanced Materials 69.
Journal Article
123 (9), pp. 5495 - 5506 (2019)
Deciphering Charge Transfer and Electronic Polarization Effects at Gold Nanocatalysts on Reduced Titania Support. The Journal of Physical Chemistry C 70.
Journal Article
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 71.
Journal Article
4 (1), 64 (2018)
A machine learning approach to model solute grain boundary segregation. npj Computational Materials 72.
Journal Article
3, 900 (2018)
GB code: A grain boundary generation code. The Journal of Open Source Software 73.
Journal Article
11 (9), 1732 (2018)
Origin of the Low Magnetic Moment in Fe2AlTi: An Ab Initio Study. Materials 74.
Journal Article
51 (10), 105601, pp. 1 - 10 (2018)
Impact of local electrostatic field rearrangement on field ionization. Journal of Physics D: Applied Physics 75.
Journal Article
7, 10458 (2017)
A rare-earth free magnesium alloy with improved intrinsic ductility. Scientific Reports 76.
Journal Article
95, 104108 (2017)
Ab initio explanation of disorder and off-stoichiometry in Fe–Mn–Al–C κ carbides. Physical Review B 77.
Journal Article
28 (35), pp. 7753 - 7757 (2016)
Deformation-Induced Martensite: A New Paradigm for Exceptional Steels. Advanced Materials 78.
Journal Article
113, pp. 311 - 319 (2016)
From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium-transition metal alloys. Acta Materialia 79.
Journal Article
118, pp. 259 - 268 (2016)
A QM/MM approach for low-symmetry defects in metals. Computational Materials Science 80.
Journal Article
111, pp. 321 - 334 (2016)
Multiscale description of carbon-supersaturated ferrite in severely drawn pearlitic wires. Acta Materialia