Zeitschriftenartikel (48)
21.
Zeitschriftenartikel
178, S. 96 - 104 (2017)
Electronic structure of metastable bcc Cu–Cr alloy thin films: Comparison of electron energy-loss spectroscopy and first-principles calculations. Ultramicroscopy 22.
Zeitschriftenartikel
473 (2203), 20170189 (2017)
The role of molybdenum in suppressing cold dwell fatigue in titanium alloys. Proceedings of the Royal Society of London Series A-Mathematical Physical and Engineering Sciences 23.
Zeitschriftenartikel
132, S. 138 - 148 (2017)
Ab initio modelling of solute segregation energies to a general grain boundary. Acta Materialia 24.
Zeitschriftenartikel
118 (23), 236101 (2017)
Origin of Structural Modulations in Ultrathin Fe Films on Cu(001). Physical Review Letters 25.
Zeitschriftenartikel
56 (11), S. 6545 - 6550 (2017)
Uncovering the Thermo-Kinetic Origins of Phase Ordering in Mixed-Valence Antimony Tetroxide by First-Principles Modeling. Inorganic Chemistry 26.
Zeitschriftenartikel
131, S. 543 - 552 (2017)
Structural evolution in reactive RF magnetron sputtered (Cr,Zr)2O3 coatings during annealing. Acta Materialia 27.
Zeitschriftenartikel
133, S. 1 - 5 (2017)
The effect of yttrium on the generalized stacking fault energies in Mg. Computational Materials Science 28.
Zeitschriftenartikel
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 29.
Zeitschriftenartikel
7, 2209 (2017)
Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy. Scientific Reports 30.
Zeitschriftenartikel
95 (17), 174101 (2017)
Phase-field study of ripening and rearrangement of precipitates under chemomechanical coupling. Physical Review B 31.
Zeitschriftenartikel
95 (16), 165126 (2017)
Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures. Physical Review B 32.
Zeitschriftenartikel
19 (4), 1600688 (2017)
Atomistic Modeling-Based Design of Novel Materials. Advanced Engineering Materials 33.
Zeitschriftenartikel
127, S. 230 - 243 (2017)
Coarsening Kinetics of Lamellar Microstructures: Experiments and Simulations on a Fully-Lamellar Fe–Al in situ Composite. Acta Materialia 34.
Zeitschriftenartikel
95, 104108 (2017)
Ab initio explanation of disorder and off-stoichiometry in Fe–Mn–Al–C κ carbides. Physical Review B 35.
Zeitschriftenartikel
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 36.
Zeitschriftenartikel
133, S. 71 - 81 (2017)
On-the-fly parameterization of internal coordinate force constants for quasi-Newton geometry optimization in atomistic calculations. Computational Materials Science 37.
Zeitschriftenartikel
95 (6), 064206 (2017)
Thermodynamic stability and properties of boron subnitrides from first principles. Physical Review B 38.
Zeitschriftenartikel
3, 6, S. 1 - 7 (2017)
Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg. npj Computational Materials 39.
Zeitschriftenartikel
124, S. 305 - 315 (2017)
Confined chemical and structural states at dislocations in Fe–9wt%Mn steels: A correlative TEM-atom probe study combined with multiscale modelling. Acta Materialia 40.
Zeitschriftenartikel
123, S. 90 - 101 (2017)
Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys. Acta Materialia