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)

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)

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)

Nematollahi, G. A.; Grabowski, B.; Raabe, D.; Neugebauer, J.: Multiscale description of carbon-supersaturated ferrite in severely drawn pearlitic wires. Acta Materialia 111, pp. 321 - 334 (2016)

Li, X.; Scherf, A.; Heilmaier, M.; Stein, F.: The Al-Rich Part of the Fe–Al Phase Diagram. Journal of Phase Equilibra and Diffusion 37 (2), pp. 162 - 173 (2016)

Scherf, A.; Kauffmann, A.; Kauffmann-Weiss, S.; Scherer, T.; Li, X.; Stein, F.; Heilmaier, M.: Orientation Relationship of Eutectoid FeAl and FeAl₂. Journal of Applied Crystallography 49, pp. 442 - 449 (2016)

Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Perlado, J. M.; Marian, J.: Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calcula- tions. International Journal of Plasticity 78, pp. 242 - 265 (2016)

Jägle, E. A.; Sheng, Z.; Wu, L.; Lu, L.; Risse, J.; Weisheit, A.; Raabe, D.: Precipitation Reactions in Age-Hardenable Alloys During Laser Additive Manufacturing. JOM-Journal of the Minerals Metals & Materials Society 68 (3), pp. 943 - 949 (2016)

Cherevko, S.; Keeley, G. P.; Kulyk, N.; Mayrhofer, K. J. J.: Pt Sub-Monolayer on Au: System Stability and Insights into Platinum Electrochemical Dissolution. Journal of the Electrochemical Society 163 (3), pp. H228 - H233 (2016)

Genchev, G.; Erbe, A.: Raman Spectroscopy of Mackinawite FeS in Anodic Iron Sulfide Corrosion Products. Journal of the Electrochemical Society 163 (6), pp. C333 - C338 (2016)

Gutiérrez-Urrutia, I.; Archie, F. M. F.; Raabe, D.; Yan, F.; Tao, N.-R.; Lu, K.: Plastic accommodation at homophase interfaces between nanotwinned and recrystallized grains in an austenitic duplex-microstructured steel. Science and Technology of Advanced Materials 17 (1), pp. 29 - 36 (2016)

Hodnik, N.; Baldizzone, C.; Polymeros, G.; Geiger, S.; Grote, J.-P.; Cherevko, S.; Mingers, A. M.; Žeradjanin, A. R.; Mayrhofer, K. J. J.: Platinum recycling going green via induced surface potential alteration enabling fast and efficient dissolution. Nature Communications 7, 13164 (2016)

Keeley, G. P.; Cherevko, S.; Mayrhofer, K. J. J.: The Stability Challenge on the Pathway to Low and Ultra-Low Platinum Loading for Oxygen Reduction in Fuel Cells. ChemElectroChem 3 (1), pp. 51 - 54 (2016)

Kovács, A.; Pradeep, K. G.; Herzer, G.; Raabe, D.; Dunin-Borkowski, R. E.: Magnetic microstructure in a stress-annealed Fe_73.5Si_15.5B₇Nb₃Cu₁ soft magnetic alloy observed using off-axis electron holography and Lorentz microscopy. AIP Advances 6 (5), 056501 (2016)

Pizzutilo, E.; Geiger, S.; Grote, J.-P.; Mingers, A. M.; Mayrhofer, K. J. J.; Arenz, M.; Cherevko, S.: On the need of improved Accelerated Degradation Protocols (ADPs): Examination of platinum dissolution and carbon corrosion in half-cell tests. Journal of the Electrochemical Society 163 (14), pp. F1510 - F1514 (2016)

Schnabel, V.; Jaya, B. N.; Köhler, M.; Mušić, D.; Kirchlechner, C.; Dehm, G.; Raabe, D.; Schneider, J. M.: Electronic hybridisation implications for the damage-tolerance of thin film metallic glasses. Scientific Reports 6, 36556 , pp. 1 - 12 (2016)

Zhang, X.; Hickel, T.; Rogal, J.; Fähler, S.; Drautz, R.; Neugebauer, J.: Structural transformations among austenite, ferrite and cementite in Fe–C alloys: A unified theory based on ab initio simulations. Acta Materialia 99, pp. 281 - 289 (2015)

Ko, W.-S.; Grabowski, B.; Neugebauer, J.: Development and application of a Ni–Ti interatomic potential with high predictive accuracy of the martensitic phase transition. Physical Review B 92 (13), 134107 (2015)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Understanding anharmonicity in fcc Materials: From its origin to ab initio strategies beyond the quasiharmonic approximation. Physical Review Letters 114 (19), 195901 (2015)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics. Physical Review X 4 (1), 011018 (2014)