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Leyson, G.; Grabowski, B.; Neugebauer, J.: Multiscale modeling of hydrogen enhanced homogeneous dislocation nucleation. Acta Materialia 107, pp. 144 - 151 (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)

Löffler, A.; Zendegani, A.; Gröbner, J.; Hampl, M.; Schmid-Fetzer, R.; Engelhardt, H.; Rettenmayr, M. E.; Körmann, F.; Hickel, T.; Neugebauer, J.: Quaternary Al–Cu–Mg–Si Q Phase: Sample Preparation, Heat Capacity Measurement and First-Principles Calculations. Journal of Phase Equilibria 37 (2), pp. 119 - 126 (2016)

Raabe, D.; Roters, F.; Neugebauer, J.; Gutiérrez-Urrutia, I.; Hickel, T.; Bleck, W.; Schneider, J. M.; Wittig, J. E.; Mayer, J.: Ab initio-guided design of twinning-induced plasticity steels. MRS Bulletin 41 (4), pp. 320 - 325 (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)

Schnabel, V.; Köhler, M.; Evertz, S.; Gamcova, J.; Bednarcik, J.; Mušić, D.; Raabe, D.; Schneider, J. M.: Revealing the relationships between chemistry, topology and stiffness of ultrastrong Co-based metallic glass thin films: A combinatorial approach. Acta Materialia 107, pp. 213 - 219 (2016)

Davydok, A.; Cornelius, T. W.; Mocuta, C.; Lima, E. C.; Araújo, E. B.; Thomas, O.: In situ X-ray diffraction studies on the piezoelectric response of PZT thin films. Thin Solid Films 603, pp. 29 - 33 (2016)

Hettstedt, C.; Unglert, M.; Mayer, R. J.; Frank, A.; Karaghiosoff, K.: Methoxyphenyl Substituted Bis(picolyl)phosphines and Phosphine Oxides. European Journal of Inorganic Chemistry 2016 (9), pp. 1405 - 1414 (2016)

Sangiovanni, D. G.; Hellman, O.; Alling, B.; Abrikosov, I. A.: Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics. Physical Review B 93 (9), 094305 (2016)

Zhang, H.; Dong, X.: Experimental and numerical studies of coupling size effects on material behaviors of polycrystalline metallic foils in microscale plastic deformation. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 658, pp. 450 - 462 (2016)

Gault, B.; Saxey, D. W.; Ashton, M. W.; Sinnott, S. B.; Chiaramonti, A. N.; Moody, M. P.; Schreiber, D. K.: Behavior of molecules and molecular ions near a field emitter. New Journal of Physics 18, 033031 (2016)

Bandarenka, A. S.; Mayrhofer, K. J. J.: Electrocatalysis for sustainable energy conversion or electrocatalysis today Preface. Catalysis Today 262, p. 1 (2016)

Cherevko, S.; Geiger, S.; Kasian, O.; Kulyk, N.; Grote, J.-P.; Savan, A.; Shrestha, B. R.; Merzlikin, S. V.; Breitbach, B.; Ludwig, A. et al.; Mayrhofer, K. J. J.: Oxygen and hydrogen evolution reactions on Ru, RuO₂, Ir, and IrO₂ thin film electrodes in acidic and alkaline electrolytes: A comparative study on activity and stability. Catalysis Today 262, pp. 170 - 180 (2016)

Djaziri, S.; Gleich, S.; Bolvardi, H.; Kirchlechner, C.; Hans, M.; Scheu, C.; Schneider, J. M.; Dehm, G.: Are Mo₂BC nanocrystalline coatings damage resistant? Insights from comparative tension experiments. Surface and Coatings Technology 289, pp. 213 - 218 (2016)

Valtiner, M.; Erbe, A.; Rosenhahn, A.: Ions and solvation at biointerfaces. Biointerphases 11 (1), 018801 (2016)

Choi, C. H.; Kim, M.; Kwon, H. C.; Cho, S. J.; Yun, S.; Kim, H.-T.; Mayrhofer, K. J. J.; Kim, H.; Choi, M.: Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst. Nature Communications 7, 10922 (2016)

Sarakinos, K.; Greczynski, G.; Elofsson, V.; Magnfält, D.; Högberg, H.; Alling, B.: Theoretical and experimental study of metastable solid solutions and phase stability within the immiscible Ag–Mo binary system. Journal of Applied Physics 119 (9), 095303 (2016)

Gatalo, M.; Jovanovič, P.; Polymeros, G.; Grote, J.-P.; Pavlišič, A.; Ruiz-Zepeda, F.; Šelih, V. S. I.; Šala, M.; Hočevar, S. B.; Bele, M. et al.; Mayrhofer, K. J. J.; Hodnik, N.; Gaberšček, M.: Positive Effect of Surface Doping with Au on the Stability of Pt-Based Electrocatalysts. ACS Catalysis 6 (3), pp. 1630 - 1634 (2016)

Brands, D.; Balzani, D.; Scheunemann, L.; Schröder, J.; Richter, H.; Raabe, D.: Computational modeling of dual-phase steels based on representative three-dimensional microstructures obtained from EBSD data. Archive of Applied Mechanics 86 (3), pp. 575 - 598 (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)