Publications of Jörg Neugebauer
All genres
Journal Article (315)
101.
Journal Article
2 (1), 011601 (2018)
Elastically frustrated rehybridization: Origin of chemical order and compositional limits in InGaN quantum wells. Physical Review Materials 102.
Journal Article
146, pp. 307 - 318 (2018)
Advanced data mining in field ion microscopy. Materials Characterization 103.
Journal Article
96 (22), 224202 (2017)
Efficient approach to compute melting properties fully from ab initio with application to Cu. Physical Review B 104.
Journal Article
Impact of Co and Fe doping on the martensitic transformation and the magnetic properties in Ni–Mn-based Heusler alloys. Physica Status Solidi B, 1700455 , pp. 1 - 7 (2017)
105.
Journal Article
139 (41), pp. 14360 - 14363 (2017)
Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts. Journal of the American Chemical Society 106.
Journal Article
7, 10458 (2017)
A rare-earth free magnesium alloy with improved intrinsic ductility. Scientific Reports 107.
Journal Article
136, pp. 262 - 270 (2017)
Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity. Acta Materialia 108.
Journal Article
20 (7), pp. 335 - 337 (2017)
100 years public–private partnership in metallurgical and materials science research. Materials Today 109.
Journal Article
375 (2098), 20160402 (2017)
Hydrogen behaviour at twist {110} grain boundaries in alpha-Fe. Philosophical Transactions: Mathematical, Physical and Engineering Sciences 110.
Journal Article
96 (1), 014437 (2017)
Magnetic properties of the CrMnFeCoNi high-entropy alloy. Physical Review B 111.
Journal Article
7 (7), 264 (2017)
The role of kappa carbides as hydrogen traps in high-Mn steels. Metals 112.
Journal Article
29 (4), pp. 895 - 911 (2017)
Modelling of grain boundary dynamics using amplitude equations. Continuum Mechanics and Thermodynamics 113.
Journal Article
132, pp. 138 - 148 (2017)
Ab initio modelling of solute segregation energies to a general grain boundary. Acta Materialia 114.
Journal Article
118 (23), 236101 (2017)
Origin of Structural Modulations in Ultrathin Fe Films on Cu(001). Physical Review Letters 115.
Journal Article
95 (19), 195314 (2017)
Adsorption and desorption of hydrogen at nonpolar GaN(1(1)over-bar00) surfaces: Kinetics and impact on surface vibrational and electronic properties. Physical Review B 116.
Journal Article
95 (16), 165126 (2017)
Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures. Physical Review B 117.
Journal Article
19 (4), 1600688 (2017)
Atomistic Modeling-Based Design of Novel Materials. Advanced Engineering Materials 118.
Journal Article
95, 104108 (2017)
Ab initio explanation of disorder and off-stoichiometry in Fe–Mn–Al–C κ carbides. Physical Review B 119.
Journal Article
95, 094307 (2017)
Low-temperature features in the heat capacity of unary metals and intermetallics for the example of bulk aluminum and Al3Sc. Physical Review B 120.
Journal Article
3, 6, pp. 1 - 7 (2017)
Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg. npj Computational Materials