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81.
Journal Article
150, pp. 53 - 58 (2018)
Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia 82.
Journal Article
97 (14), 140506 (2018)
Pressure effects on the electronic properties of the undoped superconductor ThFeAsN. Physical Review B 83.
Journal Article
4 (1), 7 (2018)
Temperature-dependent phonon spectra of magnetic random solid solutions. npj Computational Materials 84.
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 85.
Journal Article
96 (22), 224202 (2017)
Efficient approach to compute melting properties fully from ab initio with application to Cu. Physical Review B 86.
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 87.
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)
88.
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140, pp. 433 - 442 (2017)
Crystal structures of Fe4C vs. Fe4N analysed by DFT calculations: Fcc-based interstitial superstructures explored. Acta Materialia 89.
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140, pp. 258 - 273 (2017)
Strengthening and strain hardening mechanisms in a precipitation-hardened high-Mn lightweight steel. Acta Materialia 90.
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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 91.
Journal Article
96 (9), 094521 (2017)
Electronic properties, low-energy Hamiltonian, and superconducting instabilities in CaKFe4As4. Physical Review B 92.
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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 93.
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375 (2098), 20160402 (2017)
Hydrogen behaviour at twist {110} grain boundaries in alpha-Fe. Philosophical Transactions: Mathematical, Physical and Engineering Sciences 94.
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7 (7), 264 (2017)
The role of kappa carbides as hydrogen traps in high-Mn steels. Metals 95.
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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 96.
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118 (23), 236101 (2017)
Origin of Structural Modulations in Ultrathin Fe Films on Cu(001). Physical Review Letters 97.
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95 (17), 174101 (2017)
Phase-field study of ripening and rearrangement of precipitates under chemomechanical coupling. Physical Review B 98.
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19 (4), 1600688 (2017)
Atomistic Modeling-Based Design of Novel Materials. Advanced Engineering Materials 99.
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95, 104108 (2017)
Ab initio explanation of disorder and off-stoichiometry in Fe–Mn–Al–C κ carbides. Physical Review B 100.
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