Search results

Journal Article (14)

1. 1.
   MPG.PuRe

   DOI
   Journal Article

   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)
2. 2.
   MPG.PuRe

   DOI
   Journal Article

   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)
3. 3.
   MPG.PuRe

   DOI
   Journal Article

   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)
4. 4.
   MPG.PuRe

   DOI
   Journal Article

   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)
5. 5.
   MPG.PuRe

   DOI
   Journal Article

   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)
6. 6.
   MPG.PuRe
   Journal Article

   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)
7. 7.
   MPG.PuRe

   DOI
   Journal Article

   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)
8. 8.
   MPG.PuRe

   DOI
   Journal Article

   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)
9. 9.
   MPG.PuRe

   DOI
   Journal Article

   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)
10. 10.
    MPG.PuRe
    Journal Article

    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)
11. 11.
    MPG.PuRe

    DOI
    Journal Article

    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)
12. 12.
    MPG.PuRe

    DOI
    Journal Article

    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)
13. 13.
    MPG.PuRe

    DOI
    Journal Article

    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)
14. 14.
    MPG.PuRe
    Journal Article

    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)

Conference Paper (1)

1. 15.
   MPG.PuRe
   Conference Paper

   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)

Talk (61)

1. 16.
   MPG.PuRe
   Talk

   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)
2. 17.
   MPG.PuRe
   Talk

   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)
3. 18.
   MPG.PuRe
   Talk

   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)
4. 19.
   MPG.PuRe
   Talk

   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)
5. 20.
   MPG.PuRe
   Talk

   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)