Publications
CM Publications
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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. |
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 |
| 10. |
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/463719 |
| PhD thesis: | |
| 11. |
Abu-Farsakh, Hazem,
Understanding the interplay between thermodynamics and surface kinetics in the growth of dilute nitride alloys from first principles,
72010,
University of Paderborn, Paderborn, Germany. Date of approval 2010-07-06.
http://edoc.mpg.de/491009 |
| 12. |
Marquardt, Oliver,
Implementation and application of continuum elasticity theory and a k.p-model to investigate optoelectronic properties of semiconductor nanostructures,
52010,
University of Paderborn, Paderborn, Germany. Date of approval 2010-05-05.
http://edoc.mpg.de/491008 |
| Miscellaneous: | |
| 13. |
Neugebauer, Jörg,
Understanding and designing structural materials,
International Materials Research Congress IMRC XIX 2010. Cancun, Mexico. 2010-08-15 to 2010-08-20. (Invited talk),
82010.
http://edoc.mpg.de/493243 |
| 14. |
Todorova, Mira,
Towards Corrosion Control from First Principles - A New Approach to Construct ab initio Electrochemical E-pH Diagrams,
Gordon Research Seminar ''Corrosion - Aqueous'', Colby-Sawyer College. New London, NH, USA. 2010-07-25. (Invited),
72010.
http://edoc.mpg.de/491024 |
| 15. |
Grabowski, Blazej; Glensk, Albert,
Thermodynamics - Master class,
Summer School: Computational Materials Science. San Sebastian, Spain. 2010-06-28 to 2010-07-03. (invited talk),
72010.
http://edoc.mpg.de/491021 |
| 16. |
Neugebauer, Jörg,
Ab initio Multiscale Simulations of Thermodynamic Properties up to the Melting Point,
Gordon Research Conference High Temperature Materials, Processes & Diagnostics. Waterville, USA. From 2010-07-18 to 2010-07-23. (Invited talk),
72010.
http://edoc.mpg.de/493242 |
| 17. |
Neugebauer, Jörg,
Utilizing solid-solid phase transitions in the design of novel steels: An ab initio approach,
PTM2010 Solid-Solid Phase Transformations in Inorganic Materials. 6-11.06.2010. (invited talk),
62010.
http://edoc.mpg.de/478761 |
| 18. |
Neugebauer, Jörg,
Introduction into Density Functional Theory,
Summer School on computational Materials Sciences, San Sebastian, Spain. 27.06-3.07.2010. (Invited talk),
62010.
http://edoc.mpg.de/478794 |
| 19. |
Udyansky, Alexander; von Pezold, Johann; Dick, Alexey; Neugebauer, Jörg,
Atomistic study of martensite stability in dilute Fe-based solid solutions,
PTM 2010 (Solid-Solid Phase Transformations in Inorganic Materials), Avignon, France. 6-11.06.2010. (Talk),
62010.
http://edoc.mpg.de/493096 |
| 20. |
Freysoldt, Christoph; Neugebauer, Jörg; Van de Walle, C. G.,
Charged defects in the supercell approach,
Seminar at Fritz-Haber-Institut der MPG. Berlin, Germany. 2010-06-03. (Invited talk),
62010.
http://edoc.mpg.de/491013 |
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This page is maintained by Blazej Grabowski. Last update: 26.08.2010