Publications

Publications of the MPIE

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Articles:
1. Counts, W. A.; Friák, Martin; Raabe, D.; Neugebauer, Jörg, Ab Initio Guided Design of bcc Ternary Mg-Li-X (X=Ca, Al, Si, Zn, Cu) Alloys for Ultra-Lightweight Applications, Advanced Engineering Materials 12 (2010), no. 7, 572--576,
http://edoc.mpg.de/491022
2. Lange, Björn; Freysoldt, Christoph; Neugebauer, Jörg, Native and hydrogen-containing point defects in Mg3N2: A density functional theory study, Physical Review B 81 (2010), no. 22, 224109,
http://edoc.mpg.de/478747
3. Friák, Martin; Neugebauer, Jörg, Ab initio study of the anomalous volume-composition dependence, Intermetallics 18 (2010), 1316--1321,
http://edoc.mpg.de/478758
4. Friák, Martin; Deges, J.; Krein, R.; Frommeyer, G.; Neugebauer, J., Combined ab initio and experimental study of structural and elastic properties of Fe3Al-based ternaries, Intermetallics 18 (2010), 1310--1315,
http://edoc.mpg.de/478759
5. Krein, R.; Friák, M.; Neugebauer, J.; Palm, M.; Heilmaier, M., L21-ordered Fe-Al-Ti alloys, Intermetallics 18 (2010), 1360-1364,
http://edoc.mpg.de/478760
6. Körmann, Fritz; Dick, Alexey; Hickel, Tilmann; Neugebauer, Jörg, Rescaled Monte Carlo approach for magnetic systems: Ab initio thermodynamics of bcc iron, Physical Review B 81 (2010), 134425,
http://edoc.mpg.de/478748
7. von Pezold, Johann; Dick, Alexey; Friák, Martin; Neugebauer, Jörg, Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al-Ti, Physical Review B 81 (2010), 0942031--0942037,
http://edoc.mpg.de/443397
8. Hallstedt, B.; Djurovica, D.; von Appen, J.; Dronskowski, R.; Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J., Thermodynamic properties of cementite (Fe3C), Calphad 34 (2010), 129--133,
http://edoc.mpg.de/441512
9. Roters, F.; Eisenlohr, P.; Hantcherli, L.; Tjahjanto, D. D.; Bieler, T. R.; Raabe, D., Overview of constitutive laws, kinematics, homogenization and multiscale methods in crystal plasticity finite-element modeling: Theory, experiments, applications, Acta Materialia 58 (2010), 1152-1211,
http://edoc.mpg.de/442493
10. Tjahjanto, D. D.; Eisenlohr, P.; Roters, F., A novel grain cluster-based homogenization scheme, Modelling and Simulation in Materials Science and Engineering 18 (2010), no. 015006,
http://edoc.mpg.de/442497
11. Wang, L.; Yang, Y.; Eisenlohr, P.; Bieler, T. R.; Crimp, M. A.; Mason, D. E., Twin Nucleation by Slip Transfer across Grain Boundaries in Commercial Purity Titanium, Metallurgical and Materials Transactions A 41 (2010), no. 2, 421-430,
http://edoc.mpg.de/443461
12. Sandim, M. J. R.; Sandim, H. R. Z.; Zaefferer, S.; Raabe, D.; Awaji, S.; Watanabe, K., Electron backscatter diffraction study of Nb3Sn superconducting multifilamentary wire, Scripta Materialia 62 (2010), 59-62,
http://edoc.mpg.de/443471
13. Demir, E.; Raabe, D.; Roters, F., The mechanical size effect as a mean-field breakdown phenomenon: Example of microscale single crystal beam bending, Acta Materialia 58 (2010), 1876-1886 ,
http://edoc.mpg.de/444725
14. Liu, T.; Raabe, D.; Mao, W.-M., A review of crystallographic textures in chemical vapor-deposited diamond films, Frontiers of Materials Science in China 4 (2010), no. 1, 1-16,
http://edoc.mpg.de/451180
15. Stein, F.; Vogel, S.C.; Eumann, M.; Palm, M.;, Determination of the crystal structure of the ε phase in the Fe-Al system by high-temperature neutron diffraction, Intermetallics 18 (2010), no. 1, 150-156,
http://edoc.mpg.de/446419
16. Borissov, D.; Pareek, A.; Renner, F. U.; et al., Electrodeposition of Zn and Au-Zn alloys at low temperature in an ionic liquid, Phys Chem Chem Phys 12 (2010), no. 9, 2059-2062,
http://edoc.mpg.de/460722
17. Nikolov, S.; Petrov, M.; Lymperakis, L.; Friák, M.; Sachs, C.; Fabritius, H.; Raabe, D.; Neugebauer, J., Revealing the Design Principles of High-Performance Biological Composites Using Ab initio and Multiscale Simulations: the Example of Lobster Cuticle, Advanced Materials 22 (2010), 519-526,
http://edoc.mpg.de/463697
18. Liu, W. C.; Man, C.-S.; Raabe, D., Effect of strain hardening on texture development in cold rolled Al–Mg alloy, Materials Science and Engineering A 527 (2010), 1249-1254,
http://edoc.mpg.de/463721
19. Calcagnotto, M.; Ponge, D.; Raabe, D., Orientation gradients and geometrically necessary dislocations in ultrafine grained dual-phase steels studied by 2D and 3D EBSD, Materials Science and Engineering A 527 (2010), 2738-2746,
http://edoc.mpg.de/463723
20. Sandim, H.R.Z.; Renzetti, R.A.; Padilha, A.F.; Raabe, D.; Klimenkov, M.; Lindau, R.; Möslang, A., Annealing behavior of ferritic–martensitic 9%Cr–ODS–Eurofer steel, Materials Science and Engineering A 527 (2010), 3602-3608,
http://edoc.mpg.de/475634
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