Zeitschriftenartikel (31)

21.
Zeitschriftenartikel
Boeck, S.; Freysoldt, C.; Dick, A.; Ismer, L.; Neugebauer, J.: The object-oriented DFT program library S/PHI/nX. Computer Physics Communications 182 (3), S. 543 - 554 (2011)
22.
Zeitschriftenartikel
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, S. 2969 - 2980 (2011)
23.
Zeitschriftenartikel
Kalesaki, E.; Kioseoglou, J.; Lymperakis, L.; Komninou, P.; Karakostas, T.: Effect of edge threading dislocations on the electronic structure of InN. Applied Physics Letters 98 (7), S. 072103-1 - 072103-3 (2011)
24.
Zeitschriftenartikel
Renner, F. U.; Eckstein, G. A.; Lymperakis, L.; Dakkouri-Baldauf, A.; Rohwerder, M.; Neugebauer, J.; Stratmann, M.: In-situ Scanning Tunneling Microscopy Study of selective dissolution of Au3Cu and Cu3Au(001). SI, S. 1694 - 1700 (2011)
25.
Zeitschriftenartikel
Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys. Acta Materialia 59, S. 3041 - 3048 (2011)
26.
Zeitschriftenartikel
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), S. 86 - 100 (2011)
27.
Zeitschriftenartikel
Kioseoglou, J.; Kalesaki, E.; Lymperakis, L.; Neugebauer, J.; Komninou, P.; Karakostas, T.: Electronic structure of 1/6 <20 2¯3> partial dislocations in wurtzite GaN. Journal of Applied Physics 109, S. 083511-1 - 083511-6 (2011)
28.
Zeitschriftenartikel
Nikolov, S.; Fabritius, H. O.; Petrov, M.; Friák, M.; Lymperakis, L.; Sachs, C.; Raabe, D.; Neugebauer, J.: Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations. Journal of the Mechanical Behavior of Biomedical Materials 4, S. 129 - 145 (2011)
29.
Zeitschriftenartikel
Renner, F. U.; Eckstein, G. A.; Lymperakis, L.; Dakkouri-Baldauf, A.; Rohwerder, M.; Neugebauer, J.; Stratmann, M.: In situ scanning tunneling microscopy study of selective dissolution of Au3Cu and Cu3Au (001). Electrochimica Acta 56 (4), S. 1694 - 1700 (2011)
30.
Zeitschriftenartikel
Schlieter, A.; Kühn, U.; Eckert, J.; Löser, W.; Gemming, T.; Friák, M.; Neugebauer, J.: Anisotropic mechanical behavior of ultrafine eutectic TiFe cast under non-equilibrium conditions. Intermetallics 19, S. 327 - 335 (2011)
31.
Zeitschriftenartikel
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), S. 184112-1 - 184112-11 (2011)

Buch (1)

32.
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.

Buchkapitel (1)

33.
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 (6)

34.
Konferenzbeitrag
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, 28. September 2011. (2011)
35.
Konferenzbeitrag
Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 105, S. 22 - 50 (2011)
36.
Konferenzbeitrag
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Electrostatic interactions between charged defects in supercells. CECAM Workshop, Lausanne, Switzerland, 08. Juni 2009 - 10. Juni 2009. Physica Status Solidi B 248 (5), S. 1067 - 1076 (2011)
37.
Konferenzbeitrag
Marquardt, O.; Schulz, S.; O’Reilly, E. P.; Freysoldt, C.; Boeck, S.; Hickel, T.; Neugebauer, J.: A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, 05. September 2011 - 08. September 2011., (2011)
38.
Konferenzbeitrag
Petrov, M.; Holec, D.; Lymperakis, L.; Neugebauer, J.; Humphreys, C. J.: Strain-induced effects on the electronic structure and N K-edge ELNES of wurtzite AlN and AlxGa1-xN. 17th International Conference on Microscopy of Semiconducting Materials 2011, University of Cambridge, UK, 04. April 2011 - 07. April 2011. Journal of Physics Conference Series 326, S. 012016-1 - 012016-5 (2011)
39.
Konferenzbeitrag
Sandlöbes, S.; Schestakow, I.; Yi, S. B.; Zaefferer, S.; Chen, J.; Friák, M.; Neugebauer, J.; Raabe, D.: The relation between shear banding, microstructure and mechanical properties in Mg and Mg–Y alloys. 5th International Conference on Light Metals Technology V, Lüneburg, Germany, 19. Juli 2011 - 22. Juli 2011. Materials Science Forum 690, S. 202 - 205 (2011)

Vortrag (82)

40.
Vortrag
Elstnerová, P.; Friák, M.; Šob, M.; Neugebauer, J.: Prediction of the Ground State of NiN and Ni2N within the Quantum Mechanical Study. Multiscale Design of Advanced Materials, Brno, Czech Republic (2011)
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