Zeitschriftenartikel (39)

21.
Zeitschriftenartikel
Sandlöbes, S.; Pei, Z.; Friák, M.; Zhu, L.-F.; Wang, F.; Zaefferer, S.; Raabe, D.; Neugebauer, J.: Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties. Acta Materialia 70, S. 92 - 104 (2014)
22.
Zeitschriftenartikel
Ruban, A. V.; Razumovskiy, V. I.; Körmann, F.: Erratum: Spin-wave method for the total energy of paramagnetic state (Phys. Rev. B (2012) 85 (174407)). Physical Review B 89 (17), 179901 (2014)
23.
Zeitschriftenartikel
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, S. 274 - 282 (2014)
24.
Zeitschriftenartikel
Leineweber, A.; Berger, T.; Udyansky, A.; Bugaev, V. N.; Duppel, V.: The incommensurate crystal structure of the Pd5b1-z phase; B ordering driven by elastic interaction between B atoms. Zeitschrift für Kristallographie: International Journal for Structural, Physical, and Chemical Aspects of Crystalline Materials 229 (5), S. 353 - 367 (2014)
25.
Zeitschriftenartikel
Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab initio study of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies. Physical Review B 89 (14), 144108 (2014)
26.
Zeitschriftenartikel
Bar-Sinai, Y.; Spatschek, R. P.; Brener, E. A.; Bouchbinder, E.: On the velocity-strengthening behavior of dry friction. Journal of Geophysical Research: Solid Earth 119 (3), S. 1738 - 1748 (2014)
27.
Zeitschriftenartikel
Hüter, C.; Nguyen, C.-D.; Spatschek, R. P.; Neugebauer, J.: Scale bridging between atomistic and mesoscale modelling: Applications of amplitude equation descriptions. Modelling and Simulation in Materials Science and Engineering 22 (3), 034001 (2014)
28.
Zeitschriftenartikel
Freysoldt, C.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Kresse, G.; Janotti, A.; Van de Walle, C. G.: First-principles calculations for point defects in solids. Reviews of Modern Physics 86 (1), 253 (2014)
29.
Zeitschriftenartikel
Todorova, M.; Neugebauer, J.: Extending the concept of defect chemistry from semiconductor physics to electrochemistry. Physical Review Applied 1 (1), 014001 (2014)
30.
Zeitschriftenartikel
Duff, A.; Lymperakis, L.; Neugebauer, J.: Understanding and controlling indium incorporation and surface segregation on InxGa1-xN surfaces: An ab initio approach. Physical Review B 89 (8), 085307 (2014)
31.
Zeitschriftenartikel
Emmerich, H.; Virnau, P.; Wilde, G.; Spatschek, R. P.: Heterogeneous nucleation and microstructure formation: Steps towards a system and scale bridging understanding. European Physical Journal - Special Topics 223 (3), S. 337 - 346 (2014)
32.
Zeitschriftenartikel
Boussinot, G.; Schulz, R.; Hüter, C.; Brener, E. A.; Spatschek, R. P.: Elastic and plastic effects on heterogeneous nucleation and nanowire formation. European Physical Journal-Special Topics 223 (3), S. 527 - 543 (2014)
33.
Zeitschriftenartikel
Holec, D.; Friák, M.; Dlouhý, A.; Neugebauer, J.: Ab initio study of point defects in NiTi-based alloys. Physical Review B 89 (1), 014110 (2014)
34.
Zeitschriftenartikel
Schulz, T.; Duff, A.; Remmele, M.; Korytov, T.; Markut, M.; Albrecht, M.; Lymperakis, L.; Neugebauer, J.; Chèze, C.; Skierbiszewski, C.: Separating strain from composition in unit cell parameter maps obtained from aberration corrected high resolution transmission electron microscopy imaging. Journal of Applied Physics 115 (3), 033113 (2014)
35.
Zeitschriftenartikel
Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics. Physical Review X 4 (1), 011018 (2014)
36.
Zeitschriftenartikel
Körmann, F.; Breidi, A. A. H.; Dudarev, S. L.; Dupin, N.; Ghosh, G.; Hickel, T.; Korzhavyi, P.; Muñoz, J. A.; Ohnuma, I.: Lambda transitions in materials science: Recent advances in CALPHAD and first-principles modelling. Physica Status Solidi B 251 (1), S. 53 - 80 (2014)
37.
Zeitschriftenartikel
Palumbo, M.; Burton, B. P.; Costa e Silva, A. L. V.; Fultz, B. T.; Grabowski, B.; Grimvall, G.; Hallstedt, B.; Hellman, O.; Lindahl, B. B.; Schneider, A. L. et al.; Turchi, P. E. A.; Xiong, W.: Thermodynamic modelling of crystalline unary phases. Physica Status Solidi B 251 (1), S. 14 - 32 (2014)
38.
Zeitschriftenartikel
Rogal, J.; Divinski, S. V.; Finnis, M. W.; Glensk, A.; Neugebauer, J.; Perepezko, J. H.; Schuwalow, S.; Sluiter, M. H. F.; Sundman, B. O.: Perspectives on point defect thermodynamics. Physica Status Solidi B 251 (1), S. 97 - 129 (2014)
39.
Zeitschriftenartikel
Zhu, L.-F.; Friák, M.; Udyansky, A.; Ma, D.; Schlieter, A.; Kühn, U.; Eckert, J.; Neugebauer, J.: Ab initio based study of finite-temperature structural, elastic and thermodynamic properties of FeTi. Intermetallics 45, S. 11 - 17 (2014)

Konferenzbeitrag (2)

40.
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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