Huber, L.; Hadian, R.; Grabowski, B.; Neugebauer, J.: A machine learning approach to model solute grain boundary segregation. npj Computational Materials 4 (1), 64 (2018)

Malyar, N. V.; Grabowski, B.; Dehm, G.; Kirchlechner, C.: Dislocation slip transmission through a coherent Σ3{111} copper twin boundary: Strain rate sensitivity, activation volume and strength distribution function. Acta Materialia 161, pp. 412 - 419 (2018)

Pei, Z.: DIST: A dislocation-simulation toolkit. Computer Physics Communications 233, pp. 44 - 50 (2018)

Weise, B.; Dutta, B.; Teichert, N.; Hütten, A.; Hickel, T.; Waske, A.: Role of disorder when upscaling magnetocaloric Ni–Co–Mn–Al Heusler alloys from thin films to ribbons. Scientific Reports 8 (1), 9147 (2018)

Hadian, R.; Grabowski, B.; Neugebauer, J.: GB code: A grain boundary generation code. The Journal of Open Source Software 3, 900 (2018)

Stockem, I.; Bergman, A.; Glensk, A.; Hickel, T.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Alling, B.: Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters 121 (12), 125902 (2018)

Fallqvist, A.; Olovsson, W.; Alling, B.; Palisaitis, J.; Belov, M. P.; Abrikosov, I. A.; Hultman, L.; Persson, P. O. Å.: Resolving the debated atomic structure of the metastable cubic SiN_x tissue phase in nanocomposites with TiN. Physical Review Materials 2 (9), 093608 (2018)

Möller, J. J.; Mrovec, M.; Bleskov, I.; Neugebauer, J.; Hammerschmidt, T.; Drautz, R.; Elsässer, C.; Hickel, T.; Bitzek, E.: 110 planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. Physical Review Materials 2 (9), 093606 (2018)

Friák, M.; Slávik, A.; Miháliková, I.; Holec, D.; Všianská, M.; Šob, M.; Palm, M.; Neugebauer, J.: Origin of the Low Magnetic Moment in Fe₂AlTi: An Ab Initio Study. Materials 11 (9), 1732 (2018)

Ekholm, M.; Gambino, D.; Jönsson, H. J. M.; Tasnádi, F.; Alling, B.; Abrikosov, I. A.: Assessing the SCAN functional for itinerant electron ferromagnets. Physical Review B 98 (9), 094413 (2018)

Gambino, D.; Alling, B.: Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles. Physical Review B 98 (6), 064105 (2018)

Ikeda, Y.; Körmann, F.; Tanaka, I.; Neugebauer, J.: Impact of chemical fluctuations on stacking fault energies of CrCoNi and CrMnFeCoNi high entropy alloys from first principles. Entropy 20 (9), 655 (2018)

Waske, A.; Dutta, B.; Teichert, N.; Weise, B.; Shayanfar, N.; Becker, A.; Hütten, A.; Hickel, T.: Coupling Phenomena in Magnetocaloric Materials. Energy Technology 6 (8), pp. 1429 - 1447 (2018)

Gupta, A.; Kulitcki, V.; Kavakbasi, B. T.; Buranova, Y.; Neugebauer, J.; Wilde, G.; Hickel, T.; Divinski, S. V.: Precipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys. Physical Review Materials 2 (7), 073801 (2018)

Liebscher, C.; Stoffers, A.; Alam, M.; Lymperakis, L.; Cojocaru-Mirédin, O.; Gault, B.; Neugebauer, J.; Dehm, G.; Scheu, C.; Raabe, D.: Strain-Induced Asymmetric Line Segregation at Faceted Si Grain Boundaries. Physical Review Letters 121 (015702), 015702, pp. 1 - 5 (2018)

Pei, Z.; Stocks, G. M.: Origin of the sensitivity in modeling the glide behaviour of dislocations. International Journal of Plasticity 106, pp. 48 - 56 (2018)

Gong, Y.; Grabowski, B.; Glensk, A.; Körmann, F.; Neugebauer, J.; Reed, R. C.: Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni. Physical Review B 97 (21), 214106 (2018)

Ektarawong, A.; Alling, B.: Stability of SnSe_1-xS_x solid solutions revealed by first-principles cluster expansion. Journal of Physics: Condensed Matter 30 (29), 29LT01 (2018)

Surendralal, S.; Todorova, M.; Finnis, M. W.; Neugebauer, J.: First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion. Physical Review Letters 120 (24), 246801 (2018)

Devi, P.; Singh, S.; Dutta, B.; Manna, K.; D'Souza, S. W.; Ikeda, Y.; Suard, E. Y.; Petr̂ïĉek, V.; Simon, P.; Werner, P. E. et al.; Chadhov, S.; Parkin, S. S. P.; Felser, C.; Pandey, D.: Adaptive modulation in the Ni₂Mn_1.4In_0.6 magnetic shape-memory Heusler alloy. Physical Review B 97 (22), 224102 (2018)