Publications of Jörg Neugebauer

Neugebauer, J.: From electrons to the design of structurally complex materials. SFB ViCoM conference EPT 2018: From electrons to phase transitions, Vienna, Austria (2018)

Neugebauer, J.: Exploration of Large Ab Initio Data Spaces to Design Structural Materials with Superior Mechanical Properties. Hume-Rothery Award Symposium, TMS 2018, Phoenix, AZ, USA (2018)

Körmann, F.; Ikeda, Y.; Grabowski, B.; Sluiter, M. H. F.; Dutta, B.; Carreras, A.; Seko, A.; Neugebauer, J.; Tanaka, I.: Phonon broadening in high entropy alloys. TMS 2018, Phoenix, AZ, USA (2018)

Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Energetics of non-stoichiometric stacking faults in Fe–Nb alloys: An ab initio study. DPG-Frühjahrstagung 2018, Berlin, Germany (2018)

Neugebauer, J.: Understanding the fundamental mechanisms behind H embrittlement: An ab initio guided multiscale approach. Seminar E2M ("Wall Forum") at MPI for Plasma Physics, Garching, Germany (2018)

Neugebauer, J.: A first principles approach to model electrochemical reactions in an electrolytic cell. Workshop: The Electrode Potential in Electrochemistry - A Challenge for Electronic Structure Theory Calculations, Schloß Reisensburg, Günzburg, Germany (2017)

Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: Temperature-driven effects in functional materials: Ab initio insights. Talk at University Pierre and Marie CURIE (UPMC), Paris, France (2017)

Neugebauer, J.: Free energy sampling strategies for structurally complex materials. Workshop II: Stochastic Sampling and Accelerated Time Dynamics on Multidimensional Surfaces, IPAM, UCLA, Los Angeles, CA, USA (2017)

Neugebauer, J.: Materials Discovery and Design at Finite Temperatures. MS&T 2017, Pittsburgh, PA, USA (2017)

Neugebauer, J.: Materials Discovery and Design on Grain Boundary Migration. MS&T, Pittsburgh, PN, USA (2017)

Friák, M.; Holec, D.; Jirásková, Y.; Palm, M.; Stein, F.; Janičkovič, D.; Pizúrová, N.; Dymáček, P.; Dobeš, F.; Šesták, P. et al.; Fikar, J.; Šremr, J.; Boutur, D.; Nechvátal, L.; Pavlů, J.; Oweisová, S.; Homola, V.; Titov, A.; Miháliková, I.; Slávik, A.; Buršíková, V.; Neugebauer, J.; Šob, M.: Theory-guided Design of Novel Fe–Al-based Superalloys. Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany (2017)

Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of Magnetism on the Stability of Topologically Close-packed (TCP) Phases in Fe–Nb Alloys. Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany (2017)

Neugebauer, J.: Modelling structural materials in realistic environments by ab initio thermodynamics. EUROMAT 2017, Thessaloniki, Greece (2017)

Dutta, B.; Olsen, R. J.; Mu, S.; Hickel, T.; Samolyuk, G. D.; Specht, E. D.; Bei, H.; Lindsay, L. R.; Neugebauer, J.; Stocks , M. et al.; Larson, B. C.: Lattice dynamics in high entropy alloys: understanding the role of fluctuations. EUROMAT 2017, Thessaloniki, Greece (2017)

Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of magnetic fluctuations on phonons: a Green's function-based approach. MPIE-ICAMS workshop, Ebernburg, Germany (2017)

Zhu, L.-F.; Grabowski, B.; Neugebauer, J.: Efficient approach to compute melting properties fully from ab initio with application to Cu. MPIE-ICAMS workshop, Ebernburg, Germany (2017)

Dey, P.; Yao, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab-initio investigation of the role of kappa carbide in upgrading Fe–Mn–Al–C alloy to the class of advanced high-strength steels. ArcelorMittal Global R&D Gent, Thessaloniki, Greece (2017)

Ponge, D.; Tasan, C. C.; Springer, H.; Gutiérrez-Urrutia, I.; Koyama, M.; Kuzmina, M.; Wang, M.; Morsdorf, L.; Gault, B.; Seol, J. B. et al.; Choi, P.-P.; Liebscher, C.; Yao, M.; Li, Z.; Wang, H., H.; Neugebauer, J.; Scheu, C.; Raabe, D.: 1 Billion Tons of Nanostructure - Metastability Alloy Design and Segregation Engineering. 38th Risø Intern. Symp. Materials Science Advanced Metallic Materials by Microstructural Design , Roskilde, Denmark (2017)

Neugebauer, J.: Fundamental compositional limitations in the thin film growth of metastable alloys. Rapidly Quenched & Metastable Materials 16, Leoben, Austria (2017)

Ponge, D.; Tasan, C. C.; Springer, H.; Koyama, M.; Kuzmina, M.; Wang, M.; Morsdorf, L.; Gault, B.; Seol, J. B.; Liebscher, C. et al.; Yao, M.; Li, Z.; Gutiérrez-Urrutia, I.; Wang, H.; Neugebauer, J.; Scheu, C.; Raabe, D.: Metastability Alloy Design. 16th Intern. Conference on Rapidly Quenched and Metastable Materials (RQ16), Leoben, Austria (2017)