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Korbmacher, D.; von Pezold, J.; Brinckmann, S.; Neugebauer, J.; Hüter, C.; Spatschek, R. P.: Modeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale. Metals 8 (4), 280 (2018)

Race, C. P.; Hadian, R.; von Pezold, J.; Grabowski, B.; Neugebauer, J.: Mechanisms and kinetics of the migration of grain boundaries containing extended defects. Physical Review B 92 (17), 174115 (2015)

Ma, D.; Friák, M.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stresses. Acta Materialia 98, 12303, pp. 367 - 376 (2015)

Ma, D.; Friák, M.; von Pezold, J.; Raabe, D.; Neugebauer, J.: Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation. Acta Materialia 85, pp. 53 - 66 (2015)

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)

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)

Pei, Z.; Zhu, L.-F.; Friák, M.; Sandlöbes, S.; von Pezold, J.; Sheng, H.; Race, C. P.; Zaefferer, S.; Svendsen, B.; Raabe, D. et al.; Neugebauer, J.: Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys. New Journal of Physics 15 (4), pp. 043020-1 - 043020-19 (2013)

Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Thermodynamics of carbon solubility in ferrite and vacancy formation in cementite in strained pearlite. Acta Materialia 61 (5), pp. 1773 - 1784 (2013)

Ma, D.; Friák, M.; von Pezold, J.; Raabe, D.; Neugebauer, J.: Ab initio identified design principles of solid-solution strengthening in Al. Science and Technology of Advanced Materials 14 (2), 025001 (2013)

von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Hydrogen-enhanced plasticity at dilute bulk H concentrations: The role of H-H interactions and the formation of local hydrides. Acta Materialia 59, pp. 2969 - 2980 (2011)

Friák, M.; Hickel, T.; Körmann, F.; Udyansky, A.; Dick, A.; von Pezold, J.; Ma, D.; Kim, O.; Counts, W. A.; Šob, M. et al.; Gebhardt, T.; Music, D.; Schneider, J.; Raabe, D.; Neugebauer, J.: Determining the elasticity of materials employing quantum mechanical approaches: From the electronic ground state to the limits of materials stability. Steel Research International 82 (2), pp. 86 - 100 (2011)

Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Orientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions. Physical Review B 83 (18), pp. 184112-1 - 184112-11 (2011)

von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al–Ti. Physical Review B 81 (9), pp. 094203-1 - 094203-7 (2010)

Udyansky, A.; von Pezold, J.; Bugaev, N. V.; Friák, M.; Neugebauer, J.: Interplay between long-range elastic and short-range chemical interactions in Fe–C martensite formation. Physical Review B 79 (22), pp. 224112-1 - 224112-5 (2009)

Hickel, T.; Nazarov, R.; von Pezold, J.; Friák, M.; Neugebauer, J.; Ismer, L.: Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, September 28, 2011. (2011)

Haghighat, S. M. H.; Schäublin, R.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Roters, F.; Raabe, D.: Atomistic study of dislocation mobility and obstacle hardening in bcc-Fe: versatility of embedded atom method potentials. MMM2014, 7th International Conference on Multiscale Materials Modeling , Berkeley, CA, USA (2014)

Haghighat, S. M. H.; Raabe, D.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Schäublin, R.; Neugebauer, J.; Eggeler, G. F.: Recent development of modelling techniques in nano- and meso-scale simulations of dislocation dynamics. Workshop on Integrated Computational Materials Engineering (ICME), Rolduc Abbey, The Netherlands (2014)

Friák, M.; Sandlöbes, S.; Pei, Z.; Zhu, L.-F.; Dick, A.; von Pezold, J.; Zaefferer, S.; Hickel, T.; Yi, S.; Letzig, D. et al.; Sheng, H. W.; Race, C. P.; Leyson, G.; Svendsen, B.; Raabe, D.; Neugebauer, J.: Combined theoretical and experimental studies of ductile Mg alloys. Seminar lecture at the Technical University Bergakademie Freiberg, Freiberg, Germany (2013)

Friák, M.; Sandlöbes, S.; Pei, Z.; Zhu, L.-F.; Dick, A.; Wang, F.; von Pezold, J.; Zaefferer, S.; Yi, S.; Letzig, D. et al.; Sheng, H. W.; Race, C. P.; Svendsen, B.; Raabe, D.; Neugebauer, J.: Combined theoretical and experimental studies of ductile Mg alloys. International Symposium on Atomistic Modeling for Mechanics, Tokyo, Japan (2013)

Chakrabarty, A.; von Pezold, J.; Spatschek, R.; Hickel, T.; Neugebauer, J.: First-principles calculations of the key atomistic parameters related to hydrogen embrittlement in FeMn. DPG Frühjahrstagung 2013, Regensburg, Germany (2013)