Boussinot, G.; Hüter, C.; Spatschek, R. P.; Brener, E. A.: Isothermal solidification in peritectic systems. Acta Materialia 75, pp. 212 - 218 (2014)

Hickel, T.; Sandlöbes, S.; Marceau, R. K. W.; Dick, A.; Bleskov, I.; Neugebauer, J.; Raabe, D.: Impact of nanodiffusion on the stacking fault energy in high-strength steels. Acta Materialia 75, pp. 147 - 155 (2014)

Hickel, T.; Nazarov, R.; McEniry, E.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. JOM 66 (8), pp. 1399 - 1405 (2014)

Huang, L.; Gong, P.; Zeng, Z.: Correlation between structure, phonon spectra, thermal expansion, and thermomechanics of single-layer MoS₂. Physical Review B 90 (4), 045409 (2014)

Bhogireddy, V. S. P. K.; Hüter, C.; Neugebauer, J.; Steinbach, I.; Karma, A. S.; Spatschek, R. P.: Phase-field modeling of grain-boundary premelting using obstacle potentials. Physical Review E 90 (1), 012401 (2014)

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, pp. 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, pp. 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, pp. 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), pp. 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), pp. 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), pp. 337 - 346 (2014)