Huang, L.; Cao, T.; Gong, P.; Zeng, Z.: Isotope effects on the vibrational, Invar, and Elinvar properties of pristine and hydrogenated graphene. Solid State Communications 190, S. 5 - 9 (2014)

Boussinot, G.; Brener, E. A.: Achieving realistic interface kinetics in phase field models with a diffusional contrast. Physical Review E 89 (6), 060402 (2014)

Hüter, C.; Twiste, F.; Brener, E. A.; Neugebauer, J.; Spatschek, R. P.: Influence of short-range forces on melting along grain boundaries. Physical Review B 89 (22), 224104 (2014)

Race, C.; von Pezold, J.; Neugebauer, J.: Role of the mesoscale in migration kinetics of flat grain boundaries. Physical Review B 89 (21), 214110 (2014)

Sandlöbes, S.; Pei, Z.; Friák, M.; Zhu, L.-F.; Wang, F.; Zaefferer, S.; Raabe, D.; Neugebauer, J.: Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties. Acta Materialia 70, S. 92 - 104 (2014)

Ruban, A. V.; Razumovskiy, V. I.; Körmann, F.: Erratum: Spin-wave method for the total energy of paramagnetic state (Phys. Rev. B (2012) 85 (174407)). Physical Review B 89 (17), 179901 (2014)

Haghighat, S. M. H.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Neugebauer, J.; Raabe, D.: Influence of the dislocation core on the glide of the ½<111>{110} edge dislocation in bcc-iron: An embedded atom method study. Computational Materials Science 87, S. 274 - 282 (2014)

Leineweber, A.; Berger, T.; Udyansky, A.; Bugaev, V. N.; Duppel, V.: The incommensurate crystal structure of the Pd₅b_1-z phase; B ordering driven by elastic interaction between B atoms. Zeitschrift für Kristallographie: International Journal for Structural, Physical, and Chemical Aspects of Crystalline Materials 229 (5), S. 353 - 367 (2014)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab initio study of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies. Physical Review B 89 (14), 144108 (2014)

Bar-Sinai, Y.; Spatschek, R. P.; Brener, E. A.; Bouchbinder, E.: On the velocity-strengthening behavior of dry friction. Journal of Geophysical Research: Solid Earth 119 (3), S. 1738 - 1748 (2014)

Hüter, C.; Nguyen, C.-D.; Spatschek, R. P.; Neugebauer, J.: Scale bridging between atomistic and mesoscale modelling: Applications of amplitude equation descriptions. Modelling and Simulation in Materials Science and Engineering 22 (3), 034001 (2014)

Freysoldt, C.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Kresse, G.; Janotti, A.; Van de Walle, C. G.: First-principles calculations for point defects in solids. Reviews of Modern Physics 86 (1), 253 (2014)

Todorova, M.; Neugebauer, J.: Extending the concept of defect chemistry from semiconductor physics to electrochemistry. Physical Review Applied 1 (1), 014001 (2014)

Duff, A.; Lymperakis, L.; Neugebauer, J.: Understanding and controlling indium incorporation and surface segregation on In_xGa_1-xN surfaces: An ab initio approach. Physical Review B 89 (8), 085307 (2014)

Emmerich, H.; Virnau, P.; Wilde, G.; Spatschek, R. P.: Heterogeneous nucleation and microstructure formation: Steps towards a system and scale bridging understanding. European Physical Journal - Special Topics 223 (3), S. 337 - 346 (2014)

Boussinot, G.; Schulz, R.; Hüter, C.; Brener, E. A.; Spatschek, R. P.: Elastic and plastic effects on heterogeneous nucleation and nanowire formation. European Physical Journal-Special Topics 223 (3), S. 527 - 543 (2014)

Holec, D.; Friák, M.; Dlouhý, A.; Neugebauer, J.: Ab initio study of point defects in NiTi-based alloys. Physical Review B 89 (1), 014110 (2014)

Schulz, T.; Duff, A.; Remmele, M.; Korytov, T.; Markut, M.; Albrecht, M.; Lymperakis, L.; Neugebauer, J.; Chèze, C.; Skierbiszewski, C.: Separating strain from composition in unit cell parameter maps obtained from aberration corrected high resolution transmission electron microscopy imaging. Journal of Applied Physics 115 (3), 033113 (2014)

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)

Körmann, F.; Breidi, A. A. H.; Dudarev, S. L.; Dupin, N.; Ghosh, G.; Hickel, T.; Korzhavyi, P.; Muñoz, J. A.; Ohnuma, I.: Lambda transitions in materials science: Recent advances in CALPHAD and first-principles modelling. Physica Status Solidi B 251 (1), S. 53 - 80 (2014)