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Freysoldt, C.; Lange, B.; Neugebauer, J.; Yan, Q.; Lyons, J. L.; Janotti, A.; Van de Walle, C. G.: Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B 93 (16), 165206 (2016)

Luo, P.; Gao, G.; Zhang, H.; Tan, Z.; Misra, R. D. K.; Bai, B.: On structure-property relationship in nanostructured bainitic steel subjected to the quenching and partitioning process. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 661, pp. 1 - 8 (2016)

Reinholz, B.; Brinckmann, S.; Hartmaier, A.; Muntifering, B.; Knowlton, W. B.; Müllner, P.: Influence of the Twin Microstructure on the Mechanical Properties in Magnetic Shape Memory Alloys. Acta Materialia 108, pp. 197 - 206 (2016)

Kato, S.; Matam, S. K.; Kerger, P.; Bernard, L.; Battaglia, C.; Vogel, D.; Rohwerder, M.; Züttel, A.: The Origin of the Catalytic Activity of a Metal Hydride in CO₂ Reduction. Angewandte Chemie International Edition 55 (20), pp. 6028 - 6032 (2016)

Ektarawong, A.; Simak, S. I.; Hultman, L.; Birch, J.; Tasnádi, F.; Wang, F.; Alling, B.: Effects of configurational disorder on the elastic properties of icosahedral boron-rich alloys based on B₆O, B₁₃C₂, and B₄C, and their mixing thermodynamics. The Journal of Chemical Physics 144 (13), 134503 (2016)

Aparicio-Fernández, R.; Springer, H.; Szczepaniak, A.; Zhang, H.; Raabe, D.: In-situ metal matrix composite steels: Effect of alloying and annealing on morphology, structure and mechanical properties of TiB₂ particle containing high modulus steels. Acta Materialia 107, pp. 38 - 48 (2016)

Aughterson, R. D.; Lumpkin, G. R.; de Los Reyes, M.; Gault, B.; Baldo, P. M.; Ryan, E. A.; Whittle, K. R.; Smith, K. L. W.; Cairney, J. M.: The influence of crystal structure on ion-irradiation tolerance in the Sm_(x)Yb_(2-x)TiO₅ series. Journal of Nuclear Materials 471, pp. 17 - 24 (2016)

Brener, E. A.; Weikamp, M.; Spatschek, R. P.; Bar-Sinai, Y.; Bouchbinder, E.: Dynamic instabilities of frictional sliding at a bimaterial interface. Journal of the Mechanics and Physics of Solids 89, pp. 149 - 173 (2016)

Körmann, F.; Hickel, T.; Neugebauer, J.: Influence of magnetic excitations on the phase stability of metals and steels. Current Opinion in Solid State and Materials Science 20 (2), pp. 77 - 84 (2016)

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)