Publications of Jörg Neugebauer
All genres
Journal Article (315)
81.
Journal Article
4 (1), 64 (2018)
A machine learning approach to model solute grain boundary segregation. npj Computational Materials 82.
Journal Article
3, 900 (2018)
GB code: A grain boundary generation code. The Journal of Open Source Software 83.
Journal Article
121 (12), 125902 (2018)
Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters 84.
Journal Article
2 (9), 093606 (2018)
110 planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. Physical Review Materials 85.
Journal Article
11 (9), 1732 (2018)
Origin of the Low Magnetic Moment in Fe2AlTi: An Ab Initio Study. Materials 86.
Journal Article
20 (9), 655 (2018)
Impact of chemical fluctuations on stacking fault energies of CrCoNi and CrMnFeCoNi high entropy alloys from first principles. Entropy 87.
Journal Article
2 (7), 073801 (2018)
Precipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys. Physical Review Materials 88.
Journal Article
121 (015702), 015702, pp. 1 - 5 (2018)
Strain-Induced Asymmetric Line Segregation at Faceted Si Grain Boundaries. Physical Review Letters 89.
Journal Article
97 (21), 214106 (2018)
Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni. Physical Review B 90.
Journal Article
120 (24), 246801 (2018)
First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion. Physical Review Letters 91.
Journal Article
148, pp. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 92.
Journal Article
97 (20), 205425 (2018)
First-principles calculations for charged defects at surfaces, interfaces, and two-dimensional materials in the presence of electric fields. Physical Review B 93.
Journal Article
150, pp. 53 - 58 (2018)
Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia 94.
Journal Article
2 (4), 043601 (2018)
Migration mechanisms of a faceted grain boundary. Physical Review Materials 95.
Journal Article
8 (4), 280 (2018)
Modeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale. Metals 96.
Journal Article
2 (3), 030601 (2018)
Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles. Physical Review Materials 97.
Journal Article
4 (1), 7 (2018)
Temperature-dependent phonon spectra of magnetic random solid solutions. npj Computational Materials 98.
Journal Article
2, 023804, pp. 1 - 6 (2018)
Tetragonal fcc-Fe induced by κ-carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory. Physical Review Materials 99.
Journal Article
51 (10), 105601, pp. 1 - 10 (2018)
Impact of local electrostatic field rearrangement on field ionization. Journal of Physics D: Applied Physics 100.
Journal Article
120 (6), 066101 (2018)
Selective Solvent-Induced Stabilization of Polar Oxide Surfaces in an Electrochemical Environment. Physical Review Letters