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Huang, L.; Grabowski, B.; Zhang, J.; Lai, M.; Tasan, C. C.; Sandlöbes, S.; Raabe, D.; Neugebauer, J.: From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium-transition metal alloys. Acta Materialia 113, pp. 311 - 319 (2016)

Li, Z.; Yang, X.; Zhang, J.; Shan, A.: Interfacial Mechanical Behavior and Electrochemical Corrosion Characteristics of Cold-Sprayed and Hot-Rolled Titanium/Stainless-Steel Couples. Advanced Engineering Materials 18 (7), pp. 1240 - 1249 (2016)

Ossiander, T.; Perchthaler, M.; Heinzl, C.; Schönberger, F.; Völk, P.; Welsch, M. T.; Chromik, A.; Hacker, V.; Scheu, C.: Influence of membrane type and molecular weight distribution on the degradation of PBI-based HTPEM fuel cells. Journal of Membrane Science 509, pp. 27 - 35 (2016)

Stechmann, G.; Zaefferer, S.; Konijnenberg, P. J.; Raabe, D.; Gretener, C.; Kranz, L.; Perrenoud, J.; Bücheler, S.; Tiwari, A. N.: 3-Dimensional microstructural characterization of CdTe absorber layers from CdTe/CdS thin film solar cells. Solar Energy Materials and Solar Cells 151, pp. 66 - 80 (2016)

Bleskov, I.; Hickel, T.; Neugebauer, J.; Ruban, A. V.: Impact of local magnetism on stacking fault energies: A first-principles investigation for fcc iron. Physical Review B 93 (21), 214115 (2016)

Fernández Solis, C. D.; Erbe, A.: Waterborne chitosan-epoxysilane hybrid pretreatments for corrosion protection of zinc. Biointerphases 11 (2), 021001 (2016)

Nellessen, J.; Sandlöbes, S.; Raabe, D.: Low cycle fatigue in aluminum single and bi-crystals: On the influence of crystal orientation. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 668, pp. 166 - 179 (2016)

Olovsson, W.; Alling, B.; Magnuson, M.: Structure and Bonding in Amorphous Cr_1-xC_x Nanocomposite Thin Films: X-ray Absorption Spectra and First-Principles Calculations. The Journal of Physical Chemistry C 120 (23), pp. 12890 - 12899 (2016)

Kim, J.-K.; Ko, W.-S.; Sandlöbes, S.; Heidelmann, M.; Grabowski, B.; Raabe, D.: The role of metastable LPSO building block clusters in phase transformations of an Mg–Y–Zn alloy. Acta Materialia 112, pp. 171 - 183 (2016)

Kochmann, J.; Wulfinghoff, S.; Reese, S.; Mianroodi, J. R.; Svendsen, B.: Two-scale FE–FFT- and phase-field-based computational modeling of bulk microstructural evolution and macroscopic material behavior. Computer Methods in Applied Mechanics and Engineering 305, pp. 89 - 110 (2016)

Otto, F.; Dlouhý, A.; Pradeep, K. G.; Kuběnová, M.; Raabe, D.; Eggeler, G. F.; George, E. P.: Decomposition of the single-phase high-entropy alloy CrMnFeCoNi after prolonged anneals at intermediate temperatures. Acta Materialia 112, pp. 40 - 52 (2016)

Kruse, J. E.; Lymperakis, L.; Eftychis, S.; Adikimenakis, A.; Doundoulakis, G.; Tsagaraki, K.; Androulidaki, M.; Olziersky, A.; Dimitrakis, P.; Ioannou-Sougleridis, V. et al.; Normand, P.; Koukoula, T.; Kehagias, T.; Komninou, P.; Konstantinidis, G.; Georgakilas, A.: Selective-area growth of GaN nanowires on SiO₂-masked Si (111) substrates by molecular beam epitaxy. Journal of Applied Physics 119 (22), 224305 (2016)

Wu, X.; Ma, D.; Eisenlohr, P.; Raabe, D.; Fabritius, H.-O.: From insect scales to sensor design: modelling the mechanochromic properties of bicontinuous cubic structures. Bioinspiration & Biomimetics 11 (4), 045001 (2016)

Alling, B.; Körmann, F.; Grabowski, B.; Glensk, A.; Abrikosov, I. A.; Neugebauer, J.: Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics. Physical Review B 93 (22), 224411 (2016)

Li, Z.; Pradeep, K. G.; Deng, Y.; Raabe, D.; Tasan, C. C.: Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off. Nature 534, pp. 227 - 230 (2016)

Hüter, C.; Friák, M.; Weikamp, M.; Neugebauer, J.; Goldenfeld, N. D.; Svendsen, B.; Spatschek, R. P.: Nonlinear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene. Physical Review B 93 (21), 214105 (2016)

Lapauw, T.; Tytko, D.; Vanmeensel, K.; Huang, S.; Choi, P.-P.; Raabe, D.; Caspi, E. N.; Ozeri, O.; To Baben, M.; Schneider, J. M. et al.; Lambrinou, K.; Vleugels, J.: (Nbx, Zr_1-x)₄AlC₃ MAX Phase Solid Solutions: Processing, Mechanical Properties, and Density Functional Theory Calculations. Inorganic Chemistry 55 (11), pp. 5445 - 5452 (2016)

Stock, P.; Deck, E. P.; Hohnstein, S.; Korzekwa, J.; Meyer, K.; Heinemann, F. W.; Breher, F.; Hörner, G.: Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes. Inorganic Chemistry 55 (11), pp. 5254 - 5265 (2016)

Berger, J.; Glushko, O.; Marx, V. M.; Kirchlechner, C.; Cordill, M. J.: Effect of Microstructure on the Electro-Mechanical Behaviour of Cu Films on Polyimide. JOM-Journal of the Minerals Metals & Materials Society 68 (6), pp. 1640 - 1646 (2016)

Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: A QM/MM approach for low-symmetry defects in metals. Computational Materials Science 118, pp. 259 - 268 (2016)