Publications
Journal Article (21)
1.
Journal Article
96 (22), 224202 (2017)
Efficient approach to compute melting properties fully from ab initio with application to Cu. Physical Review B 2.
Journal Article
8 (1), 1006, pp. 1 - 10 (2017)
Robust Bain distortion in the premartensite phase of a platinum-substituted Ni2MnGa magnetic shape memory alloy. Nature Communications 3.
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)
4.
Journal Article
140, pp. 433 - 442 (2017)
Crystal structures of Fe4C vs. Fe4N analysed by DFT calculations: Fcc-based interstitial superstructures explored. Acta Materialia 5.
Journal Article
140, pp. 258 - 273 (2017)
Strengthening and strain hardening mechanisms in a precipitation-hardened high-Mn lightweight steel. Acta Materialia 6.
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 7.
Journal Article
96 (9), 094521 (2017)
Electronic properties, low-energy Hamiltonian, and superconducting instabilities in CaKFe4As4. Physical Review B 8.
Journal Article
96 (5), 054105, pp. 1 - 6 (2017)
Effect of Pt substitution on the magnetocrystalline anisotropy of Ni2MnGa: A competition between chemistry and elasticity. Physical Review B 9.
Journal Article
375 (2098), 20160402 (2017)
Hydrogen behaviour at twist {110} grain boundaries in alpha-Fe. Philosophical Transactions: Mathematical, Physical and Engineering Sciences 10.
Journal Article
7 (7), 264 (2017)
The role of kappa carbides as hydrogen traps in high-Mn steels. Metals 11.
Journal Article
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 12.
Journal Article
118 (23), 236101 (2017)
Origin of Structural Modulations in Ultrathin Fe Films on Cu(001). Physical Review Letters 13.
Journal Article
95 (17), 174101 (2017)
Phase-field study of ripening and rearrangement of precipitates under chemomechanical coupling. Physical Review B 14.
Journal Article
19 (4), 1600688 (2017)
Atomistic Modeling-Based Design of Novel Materials. Advanced Engineering Materials 15.
Journal Article
95, 104108 (2017)
Ab initio explanation of disorder and off-stoichiometry in Fe–Mn–Al–C κ carbides. Physical Review B 16.
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 17.
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 18.
Journal Article
Grain boundary diffusion in severely deformed Al-based alloy. Condensed Matter: Materials Science, 06694 (2017)
19.
Journal Article
137 (6), p. 85 - 85 (2017)
Leichte Hoch-Mangan-Stähle: Fortschritt durch atomistisches Verständnis. Stahl und Eisen 20.
Journal Article
137, p. 58 - 58 (2017)
Quantenmechanisch geführtes Design von TWIP-Stählen. Stahl und Eisen