Publikationen von Jörg Neugebauer
Alle Typen
Zeitschriftenartikel (291)
1.
Zeitschriftenartikel
24, 013008 (2022)
Origins of the hydrogen signal in atom probe tomography: case studies of alkali and noble metals. New Journal of Physics 2.
Zeitschriftenartikel
6 (1), 014403 (2022)
Unveiling nonmonotonic chemical trends in the solubility of H in complex Fe–Cr–Mn carbides by means of ab initio based approaches. Physical Review Materials 3.
Zeitschriftenartikel
105 (1), 014103 (2022)
Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 4.
Zeitschriftenartikel
144 (2), S. 987 - 994 (2022)
Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering. Journal of the American Chemical Society 5.
Zeitschriftenartikel
30 (1), 015002 (2021)
MEAM interatomic potentials of Ni, Re, and Ni–Re alloys for atomistic fracture simulations. Modelling and Simulation in Materials Science and Engineering 6.
Zeitschriftenartikel
7 (1), 34 (2021)
Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys. npj Computational Materials 7.
Zeitschriftenartikel
203, 114036 (2021)
Revealing atomic-scale vacancy-solute interaction in nickel. Scripta Materialia 8.
Zeitschriftenartikel
205, 114213 (2021)
Corrigendum to Revealing atomic-scale vacancy-solute interaction in nickel (Scripta Materialia (2021) 203, (114036) (S135964622100316X), (10.1016/j.scriptamat.2021.114036)). Scripta Materialia 9.
Zeitschriftenartikel
27 (6), S. 1454 - 1464 (2021)
Segmentation of Static and Dynamic Atomic-Resolution Microscopy Data Sets with Unsupervised Machine Learning Using Local Symmetry Descriptors. Microscopy and Microanalysis 10.
Zeitschriftenartikel
7 (1), 58 (2021)
Finite-size correction for slab supercell calculations of materials with spontaneous polarization. npj Computational Materials 11.
Zeitschriftenartikel
5 (7), 073801 (2021)
Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials. Physical Review Materials 12.
Zeitschriftenartikel
5 (5), 053803 (2021)
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys. Physical Review Materials 13.
Zeitschriftenartikel
126 (16), 166802 (2021)
Impact of Water Coadsorption on the Electrode Potential of H–Pt(1 1 1)-Liquid Water Interfaces. Physical Review Letters 14.
Zeitschriftenartikel
5 (4), 044605 (2021)
Efficient electronic passivation scheme for computing low-symmetry compound semiconductor surfaces in density-functional theory slab calculations. Physical Review Materials 15.
Zeitschriftenartikel
14 (8), 1837 (2021)
A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc. Materials 16.
Zeitschriftenartikel
126 (13), 136803 (2021)
Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 17.
Zeitschriftenartikel
31 (7), 2007668 (2021)
Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition. Advanced Functional Materials 18.
Zeitschriftenartikel
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 19.
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 20.
Zeitschriftenartikel
66 (2021)
Defect phases–thermodynamics and impact on material properties. International Materials Reviews