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Articles:
1. Steinmetz, D. R.; Jäpel, T.; Wietbrock, B.; Eisenlohr, P.; Gutiérrez-Urrutia, I.; Saeed-Akbari, A.; Hickel, T.; Roters, F.; Raabe, D., Revealing the strain-hardening behavior of twinning-induced plasticity steels: Theory, simulations, experiments, Acta Materialia 61 (2013), no. 2, 494-510, DOI:10.1016/j.actamat.2012.09.064
http://edoc.mpg.de/630157
2. Petrov, M.; Lymperakis, L.; Friák, M.; Neugebauer, J., Ab initio based conformational study of the crystalline alpha-chitin, Biopolymers 99 (2013), 22-34,
http://edoc.mpg.de/626129
3. Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D., Thermodynamics of carbon solubility in ferrite and vacancy formation in cementite in strained pearlite, Acta Materialia 61 (2013), no. 5, 1773–1784, DOI: 10.1016/j.actamat.2012.12.001
http://edoc.mpg.de/630189
4. Titrian, H.; Aydin, U.; Friák, M.; Ma, D.; Raabe, D.; Neugebauer, J., Self-consistent Scale-bridging Approach to Compute the Elasticity of Multi-phase Polycrystalline Materials, Materials Research Society symposia proceedings 1524 (2013), DOI: 10.1557/opl.201.41
http://edoc.mpg.de/631063
5. Ma, D.; Friák, M.; von Pezold, J.; Raabe, D.; Neugebauer, J., Ab initio identified design principles of solid-solution strengthening in Al, Sci. Technol. Adv. Mater. 14 (2013), 025001 (5pp), http://edoc.mpg.de/644915
iopscience.iop.org/1468-6996/14/2/025001/pdf/1468-6996_14_2_025001.pdf
6. Pei, Z.; Zhu, L.-F.; Friák, M.; Sandlöbes, S.; von Pezold, J.; Sheng, H. W.; Race, C. P.; Zaefferer, S.; Svendsen, B.; Raabe, D.; Neugebauer, J., Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys, New Journal of Physics 15 (2013), no. 4 / 043020, 1-19, Open Access Paper, DOI:10.1088/1367-2630/15/4/043020
http://edoc.mpg.de/671021
7. Sandlöbes, S.; Friák, M.; Neugebauer, J.; Raabe, D., Basal and non-basal dislocation slip in Mg-Y, Materials Science & Engineering A 576 (2013), 61-68,
http://edoc.mpg.de/655559
8. Sun, Z.; Dong, N.; Xie, K.; X., W.; König, D.; Nagaiah, T. C.; Sánchez, M. D.; Ebbinghaus, P.; Erbe, A.; Ludwig, A.; Schuhmann, W.; Wang, J.; Muhler, M., Nanostructured few-layer graphene with superior optical limiting properties fabricated by a catalytic steam etching process, Journal of Physical Chemistry C 117 (2013), no. 22, 11811-11817 , DOI: 10.1021/jp401736n
http://edoc.mpg.de/661190
9. Zhu, L.-F.; Friák, M.; Lymperakis, L.; Titrian, H.; Aydin, U.; Janus, A. M.; Fabritius, H.-O.; Ziegler, A.; Nikolov, S.; Hemzalová, P.; Raabe, D.; , Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals, Journal of the Mechanical Behavior of Biomedical Materials 20 (2013), 296-304, DOI: 10.1016/j.jmbbm.2013.01.030
http://edoc.mpg.de/671327
10. Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Inam, F.; Drabold, D.; Jarolimek, K.; Zeman, M., Characterization of network and strain effects by first-principles calculation of the EPR parameters, Physical Review B 87 (2013), no. 12, 125308 (7pages), DOI:10.1103/PhysRevB.87.125308
http://edoc.mpg.de/670848
11. Markurt, T.; Lymperakis, L.; Neugebauer, J.; Drechsel, P.; Stauss, P.; Schulz, T.; Remmele, T.; Grillo, V.; Rotunno, E.; Albrecht, M., Blocking Growth by an Electrically Active Subsurface Layer: The Effect of Si as an Antisurfactant in the Growth of GaN, Physical Review Letters 110 (2013), no. 3, 036103 (5pages), DOI:10.1103/PhysRevLett.110.036103
http://edoc.mpg.de/670850
12. Marquardt, O.; Hickel, T.; Neugebauer, J., Polarization effects due to thickness fluctuations in nonpolar InGaN/GaN quantum wells, Applied Physics Letters 103 (2013), no. 7, 073115 (4pages), DOI:10.1063/1.4818752
http://edoc.mpg.de/670855
13. Himmerlich, M.; Lymperakis, L.; Gutt, R.; Lorenz, P.; Neugebauer, J.; Krischok, S., GaN(0001)surface states: Experimental and theoretical fingerprints to identify surface reconstructions, Physical Review B 88 (2013), no. 12, 125304 (7pages), DOI:10.1103/PhysRevB.88.125304
http://edoc.mpg.de/670856
14. Körmann, F.; Grabowski, B.; Söderlind, P.; Palumbo, M.; Fries, S. G.; Hickel, T.; Neugebauer, J., Thermodynamic modeling of chromium: Strong and weak magnetic coupling, Journal of Physics-Condensed Matter 25 (2013), no. 42, 425401 (7pages), DOI:10.1088/0953-8984/25/42/425401
http://edoc.mpg.de/670891
15. Neugebauer, J.; Hickel, T., Density functional theory in materials science, WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 3 (2013), no. 5, 438-448,
http://edoc.mpg.de/670434
16. Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D., Thermodynamics of carbon solubility in ferrite and vacancy formation in cementite in strained pearlite, ACTA MATERIALIA 61 (2013), no. 5, 1773-1784, DOI: 10.1016/j.actamat.2012.12.001
http://edoc.mpg.de/670844
17. Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Inam, F.; Jarolimek, K.; Zeman, M., Characterization of network and strain effects by first-principles calculation of the EPR parameters, PHYSICAL REVIEW B 87 (2013), no. 12, 125308, DOI: 10.1103/PhysRevB.87.125308
http://edoc.mpg.de/670848
18. Petrov, M.; Lymperakis, L.; Friák, M.; Neugebauer, J. , Ab Initio Based conformational study of the crystalline alpha-chitin, BIOPOLYMERS 99 (2013), no. 1, 22-34, DOI: 10.1002/bip.22131
http://edoc.mpg.de/670849
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