Publications
CM Publications
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| Articles: | |
| 1. |
Steinmetz, D. R.; Jäpel, T.; Wietbrock, B.; Eisenlohr, P.; Gutierrez-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
(2013),
no. 4 / 043020,
1-19,
Open Access Paper, DOI:10.1088/1367-2630/15/4/043020
http://edoc.mpg.de/654944 |
| 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 |
| Proceedings: | |
| 9. |
Effect of Antimony on Primary Graphite Growth in Cast Iron-From Ab-Initio Calculations to Experimental Observations,
vol.
2013.
2013 TMS Annual Meeting & Exhibition (Frontiers in Solidification Science Symposium)
External Affiliations:
K. Theuwissen; D. Connetable; J. Lacaze: CIRIMAT, Université de Toulouse, BP 44362, 31030 Toulouse cedex 4, France
H. B. Gonzalez: Convention Center, San Antonio, Texas, USA
http://edoc.mpg.de/630191 |
| Invited talks: | |
| 10. |
Neugebauer, J.,
Modeling steels exhibiting unconventional deformation mechanisms based on ab initio based multiscale simulations,
2013,
ESISM Workshop, Kyoto, Japan
http://edoc.mpg.de/630249 |
| 11. |
Neugebauer, J.,
Ab initio guided materials design: Application to doping and growth of group-III nitride,
2013,
Kolloquium TH Ilmenau, Ilmenau, Germany
http://edoc.mpg.de/630251 |
| 12. |
Ponge, D.; Millán, J.; Sandlöbes, S.; Choi, P.; Hickel, T.; Kirchheim, R.; Neugebauer, J.; Raabe, D.,
Bulk Combinatorial Design of nanostructured steels: from composition to mechanisms,
2013,
DPG Spring Meeting 2013, Regensburg [Germany], 12 mar 2013
http://edoc.mpg.de/647838 |
| 13. |
Raabe, D.; Li, Y.; Ponge, D.; Sandlöbes, S.; Choi, P. P.; Hickel, T.; Kirchheim, R.; Neugebauer, J.,
Transformations in Steels,
2013,
German-Chinese High-level Workshop on “Microstructure-driven Design and Performance of Advanced Metals”, Institute of Metals Research (IMR) of the Chinese Academy of Science (CAS), Shenyang [China], 12-16 apr, 2013
http://edoc.mpg.de/655298 |
| 14. |
Millán, J.; Ponge, D.; Povstugar, I.; Sandlöbes, S.; Choi, P. P.; Zaefferer, S.; Hafez Haghighat, S. M.; Eggeler, G.; Nematollahi, A.; Herbig, M.; Kirchheim, R.; Inden, G.; Neugebauer, J.; Raabe, D.,
Scale-hoping approaches in desiging complex alloys,
2013,
Royal Society International Seminar, Superalloys to Order' at the Kavli Royal Society International Centre, Chicheley [UK], 22-23 apr, 2013
http://edoc.mpg.de/655301 |
| 15. |
Millán, J.; Ponge, D.; Yuan, L.; Sandlöbes, S.; Goto, S.; Li, Y.; Choi, P.; Zaefferer, S.; Nematollahi, A.; Herbig, M.; Kirchheim, R.; Neugebauer, J.; Raabe, D.,
Design of nanostructured bulk steels,
2013,
Colloquium lecture, University of Bremen, 30 Apr 2013
http://edoc.mpg.de/655785 |
| 16. |
Millán, J.; Ponge, D.; Yuan, L.; Sandlöbes, S.; Goto, S.; Li, Y.; Choi, P.; Zaefferer, S.; Nematollahi, A.; Herbig, M.; Kirchheim, R.; Inden, G.; Neugebauer, J.; Raabe, D.,
Nanoscale phase transformations at martensite interfaces,
2013,
INTERNATIONAL COLLOQUIUM ON ADVANCED MATERIALS SIMULATION, Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Bochum [Germany], 6-7 MAy 2013, keynote lecture
http://edoc.mpg.de/655816 |
| 17. |
Raabe, D.; Hickel, T.; Roters, F.; Neugebauer, J.,
Multiscale Modeling in Materials Science,
2013,
Max-Planck Society, LeadNet Meeting: 2013: Cross-sectional Workshop I: 'The Concept of Change', Castle Waldthausen, Mainz [Germany], 6-7 May 2013
http://edoc.mpg.de/655817 |
| 18. |
Millán, J.; Ponge, D.; Yuan, L.; Sandlöbes, S.; Goto, S.; Li, Y.; Choi, P.; Zaefferer, S.; Nematollahi, A.; Herbig, M.; Kirchheim, R.; Inden, G.; Neugebauer, J.; Raabe, D.,
From defectant theory to nanoscale transformations in steels,
2013,
Workshop on 'Current Challenges in Materials Physics' at Physics Faculty, University Göttingen, Göttingen [Germany], 24 May 2013, keynote lecture
http://edoc.mpg.de/656159 |
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