Publications of Jörg Neugebauer
All genres
Journal Article (314)
141.
Journal Article
107, pp. 144 - 151 (2016)
Multiscale modeling of hydrogen enhanced homogeneous dislocation nucleation. Acta Materialia 142.
Journal Article
37 (2), pp. 119 - 126 (2016)
Quaternary Al–Cu–Mg–Si Q Phase: Sample Preparation, Heat Capacity Measurement and First-Principles Calculations. Journal of Phase Equilibria 143.
Journal Article
41 (4), pp. 320 - 325 (2016)
Ab initio-guided design of twinning-induced plasticity steels. MRS Bulletin 144.
Journal Article
106, pp. 229 - 238 (2016)
Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe–Mn–Al–C low density steel. Acta Materialia 145.
Journal Article
32 (4), pp. 1027 - 1033 (2016)
Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces. Langmuir 146.
Journal Article
28 (7), 076002 (2016)
Impact of magnetic fluctuations on lattice excitations in fcc nickel. Journal of Physics: Condensed Matter 147.
Journal Article
116 (2), 025503 (2016)
Ab initio Prediction of Martensitic and Intermartensitic Phase Boundaries in Ni–Mn–Ga. Physical Review Letters 148.
Journal Article
102, pp. 241 - 250 (2016)
Partitioning of Cr and Si between cementite and ferrite derived from first-principles thermodynamics. Acta Materialia 149.
Journal Article
6 (36), pp. 30710 - 30721 (2016)
The structure and dynamics of chitin nanofibrils in an aqueous environment revealed by molecular dynamics simulations. RSC Advances 150.
Journal Article
92 (24), 245202 (2015)
Difference in linear polarization of biaxially strained InxGa1-xN alloys on nonpolar a-plane and m-plane GaN. Physical Review B 151.
Journal Article
92 (17), 174115 (2015)
Mechanisms and kinetics of the migration of grain boundaries containing extended defects. Physical Review B 152.
Journal Article
100, pp. 90 - 97 (2015)
Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one. Acta Materialia 153.
Journal Article
99, pp. 281 - 289 (2015)
Structural transformations among austenite, ferrite and cementite in Fe–C alloys: A unified theory based on ab initio simulations. Acta Materialia 154.
Journal Article
92 (13), 134107 (2015)
Development and application of a Ni–Ti interatomic potential with high predictive accuracy of the martensitic phase transition. Physical Review B 155.
Journal Article
108 (B), 6403, pp. 293 - 300 (2015)
From wetting to melting along grain boundaries using phase field and sharp interface methods. Computational Materials Science 156.
Journal Article
17 (9), 093009 (2015)
Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials. New Journal of Physics 157.
Journal Article
17 (9), 093004 (2015)
Synergy of atom-probe structural data and quantum-mechanical calculations in a theory-guided design of extreme-stiffness superlattices containing metastable phases. New Journal of Physics 158.
Journal Article
252 (9), pp. 1907 - 1924 (2015)
Importance of coordination number and bond length in titanium revealed by electronic structure investigations. Physica Status Solidi B 159.
Journal Article
92 (8), 085204, pp. 5204 - 5210 (2015)
Role of biaxial strain and microscopic ordering for structural and electronic properties of InxGa1-xN. Physical Review B 160.
Journal Article
98, 12303, pp. 367 - 376 (2015)
Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stresses. Acta Materialia