Publications

Zhang, J.; Raabe, D.; Tasan, C. C.: Designing duplex, ultrafine-grained Fe–Mn–Al–C steels by tuning phase transformation and recrystallization kinetics. Acta Materialia 141, pp. 374 - 387 (2017)

Kerdsongpanya, S.; Hellman, O.; Sun, B.; Koh, Y. K.; Lu, J.; Van Nong, N.; Simak, S. I.; Alling, B.; Eklund, P.: Phonon thermal conductivity of scandium nitride for thermoelectrics from first-principles calculations and thin-film growth. Physical Review B 96 (19), 195417 (2017)

Leineweber, A.; Hickel, T.; Azimi-Manavi, B.; Maisel, S.: Crystal structures of Fe₄C vs. Fe₄N analysed by DFT calculations: Fcc-based interstitial superstructures explored. Acta Materialia 140, pp. 433 - 442 (2017)

Koyama, M.; Ogawa, T.; Yan, D.; Matsumoto, Y.; Tasan, C. C.; Takai, K.; Tsuzaki, K.: Hydrogen desorption and cracking associated with martensitic transformation in Fe–Cr–Ni-Based austenitic steels with different carbon contents. International Journal of Hydrogen Energy 42 (42), pp. 26423 - 26435 (2017)

Gambino, D.; Sangiovanni, D. G.; Alling, B.; Abrikosov, I. A.: Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN. Physical Review B 96 (10), 104306 (2017)

Li, Z.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Raabe, D.: Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity. Acta Materialia 136, pp. 262 - 270 (2017)

Wang, M.; Hell, J.-C.; Tasan, C. C.: Martensite size effects on damage in quenching and partitioning steels. Scripta Materialia 138, pp. 1 - 5 (2017)

Maisel, S.; Ko, W.-S.; Zhang, J.; Grabowski, B.: Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys. Physical Review Materials 1 (3), 033610 (2017)

Zhang, J.; Tasan, C. C.; Lai, M.; Yan, D.; Raabe, D.: Partial recrystallization of gum metal to achieve enhanced strength and ductility. Acta Materialia 135, pp. 400 - 410 (2017)

Ektarawong, A.; Simak, S. I.; Alling, B.: First-principles prediction of stabilities and instabilities of compounds and alloys in the ternary B-As-P system. Physical Review B 96 (2), 024202 (2017)

Ogawa, T.; Koyama, M.; Tasan, C. C.; Tsuzaki, K.; Noguchi, H.: Effects of martensitic transformability and dynamic strain age hardenability on plasticity in metastable austenitic steels containing carbon. Journal of Materials Science: Materials in Electronics 52 (13), pp. 7868 - 7882 (2017)

Zhang, Z.; Koyama, M.; Wang, M.; Tsuzaki, K.; Tasan, C. C.; Noguchi, H.: Effects of lamella size and connectivity on fatigue crack resistance of TRIP-maraging steel. International Journal of Fatigue 100 (1), pp. 176 - 186 (2017)

Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: Ab initio modelling of solute segregation energies to a general grain boundary. Acta Materialia 132, pp. 138 - 148 (2017)

Landälv, L.; Lu, J.; Spitz, S.; Leiste, H.; Ulrich, S.; Johansson-Jöesaar, M. P.; Ahlgren, M.; Göthelid, E.; Alling, B.; Hultman, L. et al.; Stüber, M.; Eklund, P.: Structural evolution in reactive RF magnetron sputtered (Cr,Zr)₂O₃ coatings during annealing. Acta Materialia 131, pp. 543 - 552 (2017)

Luo, H.; Li, Z.; Chen, Y.-H.; Ponge, D.; Rohwerder, M.; Raabe, D.: Hydrogen effects on microstructural evolution and passive film characteristics of a duplex stainless steel. Electrochemistry Communucations 79, pp. 28 - 32 (2017)

Rogal, L.; Bobrowski, P.; Körmann, F.; Divinski, S. V.; Stein, F.; Grabowski, B.: Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy. Scientific Reports 7, 2209 (2017)

Zhang, X.; Grabowski, B.; Körmann, F.; Freysoldt, C.; Neugebauer, J.: Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures. Physical Review B 95 (16), 165126 (2017)

Gupta, A.; Kavakbasi, B. T.; Dutta, B.; Grabowski, B.; Peterlechner, M.; Hickel, T.; Divinski, S. V.; Wilde, G.; Neugebauer, J.: Low-temperature features in the heat capacity of unary metals and intermetallics for the example of bulk aluminum and Al₃Sc. Physical Review B 95, 094307 (2017)

Koyama, M.; Zhang, Z.; Wang, M.; Ponge, D.; Raabe, D.; Tsuzaki, K.; Noguchi, H.; Tasan, C. C.: Bone-like crack resistance in hierarchical metastable nanolaminate steels. Science 355 (6329), pp. 1055 - 1057 (2017)

Nagashima, T.; Koyama, M.; Bashir, A.; Rohwerder, M.; Tasan, C. C.; Akiyama, E.; Raabe, D.; Tsuzaki, K.: Interfacial hydrogen localization in austenite/martensite dual-phase steel visualized through optimized silver decoration and scanning Kelvin probe force microscopy. Materials and Corrosion - Werkstoffe und Korrosion 68 (3), pp. 306 - 310 (2017)