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)

Ektarawong, A.; Simak, S. I.; Alling, B.: Thermodynamic stability and properties of boron subnitrides from first principles. Physical Review B 95 (6), 064206 (2017)

van Bohemen, S. M. C.; Morsdorf, L.: Predicting the M_s temperature of steels with a thermodynamic based model including the effect of the prior austenite grain size. Acta Materialia 125, pp. 401 - 415 (2017)

Kwiatkowski da Silva, A.; Leyson, G.; Kuzmina, M.; Ponge, D.; Herbig, M.; Sandlöbes, S.; Gault, B.; Neugebauer, J.; Raabe, D.: Confined chemical and structural states at dislocations in Fe–9wt%Mn steels: A correlative TEM-atom probe study combined with multiscale modelling. Acta Materialia 124, pp. 305 - 315 (2017)

Ko, W.-S.; Maisel, S.; Grabowski, B.; Jeon, J. B.; Neugebauer, J.: Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys. Acta Materialia 123, pp. 90 - 101 (2017)