Suchergebnisse

Zeitschriftenartikel (265)

261.
Zeitschriftenartikel
Ismer, L.; Ireta, J.; Boeck, S.; Neugebauer, J.: Phonon-spectra and thermodynamic properties of the infinite polyalanine alpha-helix: A DFT-based harmonic vibrational analysis. Physical Review E 71, 031911 (2005)
262.
Zeitschriftenartikel
Northrup, J. E.; Neugebauer, J.: Metal-adlayer-stabilized ZnO(0001) sufaces: Towards a new growth mode for oxides. Applied Physics Letters 87, 141914 (2005)
263.
Zeitschriftenartikel
Qteish, A.; Al-Sharif, A. I.; Fuchs, M.; Scheffler, M.; Boeck, S.; Neugebauer, J.: Role of semicore states in the electronic structure of group-III nitrides: An exact-exchange study. Physical Review B 72, 155317 (2005)
264.
Zeitschriftenartikel
Qteish, A.; Al-Sharif, A. I.; Fuchs, M.; Scheffler, M.; Boeck, S.; Neugebauer, J.: Exact-exchange calculations of the electronic structure of AlN, GaN and InN. Computer Physics Communications 169, S. 28 (2005)
265.
Zeitschriftenartikel
Smith, A. R.; Yang, R.; Yang, H. Q.; Dick, A.; Neugebauer, J.; Lambrecht, W. R. L.: Recent Advances in Atomic-Scale Spin-Polarized Scanning. Microscopy Research and Technology 66, S. 72 - 84 (2005)

Buch (2)

266.
Buch
Alkauskas, A.; Deak, P.; Neugebauer, J.; Pasquarello, A.; van de Walle, C. G. (Hg.): Advanced Calculations for Defects in Materials: Electronic Structure Methods. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2011), 384 S.
267.
Buch
Hildebrandt, S.; Lymperakis, L.; Neugebauer, J.; Stutzmann, M. (Hg.): Proceedings of the 6th International Conference of Nitride Semiconductors. Wiley-VCH - physica status solidi, Weinheim, Germany (2006), 203 S.

Buchkapitel (4)

268.
Buchkapitel
Friák, M.; Fabritius, H.-O.; Nikolov, S.; Petrov, M.; Lymperakis, L.; Sachs, C.; Elstnerová, P.; Neugebauer, J.; Raabe, D.: Multi‐scale Modelling of a Biological Material: The Arthropod Exoskeleton. In: Materials Design Inspired by Nature: Function Through Inner Architecture (CHAPTER 9), S. 197 - 218 (Hg. Fratzl, P.; Dunlop, J.W.C.; Weinkamer, R.) (2013)
269.
Buchkapitel
Friák, M.; Raabe, D.; Neugebauer, J.: Ab Initio Guided Design of Materials. In: Structural Materials and Processes in Transportation, S. 481 - 495 (Hg. Lehmhus, D.; Busse, M.; Herrmann, A. S.; Kayvantash, K.). Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2013)
270.
Buchkapitel
Nikolov, S.; Fabritius, H.-O.; Friák, M.; Raabe, D.; Neugebauer, J.: Hierarchical modeling of biological nanocomposites. In: Mechanics of Nanomaterials and Nanotechnology, S. 199 - 224 (Hg. Kavardzhikov, V.; Parashkevova, L.; Baltov, A.). Institute of Mechanics - BAS, Sofia, Sofia, Bulgaria (2012)
271.
Buchkapitel
Fabritius, H.; Sachs, C.; Raabe, D.; Nikolov, S.; Friák, M.; Neugebauer, J.: Chitin in the exoskeletons of arthropoda: From ancient design to novel materials science. In: Chitin, S. 35 - 60 (Hg. editor), N. S. G. (.). Springer, Germany (2011)

Konferenzbeitrag (22)

272.
Konferenzbeitrag
McEniry, E.; Hickel, T.; Neugebauer, J.: Atomistic modelling of light-element co-segregation at structural defects in iron. 22nd European Conference on Fracture, ECF 2018, Belgrade, Serbia, 25. August 2018 - 26. September 2018. Procedia Structural Integrity 13, S. 1099 - 1104 (2018)
273.
Konferenzbeitrag
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.; Nechvátal, L.; Oweisová, S.; Homola, V.; Titov, A.; Slávik, A.; Miháliková, I.; Pavlů, J.; Buršíková, V.; Neugebauer, J.; Boutur, D.; Lapusta, Y.; Šob, M.: Theory-guided Design of Novel Fe–Al-based Superalloys. In: Proc. Intermetallics 2017, S. 123 - 125 (Hg. Heilmaier, M.; Krüger, M.; Mayer, S.; Palm, M.; Stein, F.). Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany, 02. Oktober 2017 - 06. Oktober 2017. Conventus Congressmanagement & Marketing GmbH, Jena, Germany (2017)
274.
Konferenzbeitrag
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. In: Proc. Intermetallics 2017, S. 89 - 90 (Hg. Heilmaier, M.; Krüger, M.; Mayer, S.; Palm, M.; Stein, F.). Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany, 02. Oktober 2017 - 06. Oktober 2017. Proc. Intermetallics 2017, Jena, Germany (2017)
275.
Konferenzbeitrag
Katnagallu, S.; Nematollahi, G. A.; Dagan, M.; Moody, M. P.; Grabowski, B.; Gault, B.; Raabe, D.; Neugebauer, J.: High Fidelity Reconstruction of Experimental Field Ion Microscopy Data by Atomic Relaxation Simulations. In: Proceedings of Microscopy & Microanaalysis 2017, Bd. 23, S. 642 - 643. Microscopy and Microanalysis 2017, St. Louis, MO, USA, 06. August 2017 - 10. August 2017. Cambridge University Press, New York, NY, USA (2017)
276.
Konferenzbeitrag
Fultz, B. T.; Mauger, L.; Körmann, F.; Grabowski, B.; Lucas, M. S.; Muñoz, J. A.; Tracy, S. J.; Dutta, B.; Hickel, T.; Neugebauer, J.: Stabilization of bcc iron by magnon-phonon interactions. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 709 - 710 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
277.
Konferenzbeitrag
Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: Multi-scale quantum mechanical calculations of solute-grain boundary interaction. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 779 - 784 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, British Columbia (2015)
278.
Konferenzbeitrag
Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Duff, A.; Finnis, M. W.; Neugebauer, J.: Ab initio description of the Ti BCC to ω transition at finite temperatures. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 755 - 756 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
279.
Konferenzbeitrag
Neugebauer, J.; Glensk, A.; Leyson, G. P. M.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio description of finite temperature phase stabilities and transformations. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 751 - 752 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. PTM 2015, Whistler, British Columbia (2015)
280.
Konferenzbeitrag
Friák, M.; Zhu, L.-F.; Lymperakis, L.; Titrian, H.; Aydin, U.; Janus, A. M.; Fabritius, H.-O.; Ziegler, A. S.; Nikolov, S. D.; Hemzalová, P. et al.; Raabe, D.; Neugebauer, J.: Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. In: Key Engineering Materials, Bd. 592-593, S. 335 - 341. 7th International Conference on Materials Structure and Micromechanics of Fracture (MSMF 7), Brno, Czech Republic, 01. Juli 2013 - 03. Juli 2013. (2014)
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