Talk (1232)

1521.
Talk
Todorova, M.; Neugebauer, J.: Stabilization of polar ZnO surfaces. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1522.
Talk
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Computational study of interstitial ordering in bcc iron. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1523.
Talk
von Pezold, J.; Aydin, U.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the first transition series - An ab initio study of hydrogen embrittlement. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1524.
Talk
Zhu, L.-F.; Dick, A.; Friák, M.; Hickel, T.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti-Fe alloys. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1525.
Talk
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Efficient sampling strategies of anharmonic free energies. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1526.
Talk
Hickel, T.; Uijttewaal, M.; Al-Zubi, A.; Neugebauer, J.: Ab initio simulation of magnetic shape memory alloys: The interplay of magnetic and vibrational degrees of freedom. Oberseminar: Ultraschnelle Dynamik in Festkörpern und an Grenzflächen, Fakultät für Physik, Universtität Duisburg-Essen, Duisburg, Germany (2010)
1527.
Talk
Ziegler, A.; Ruangchaj, S.; Seidl, B.; Huemer, K.; Raabe, D.; Fabritius, H.; Balasundaram, K.; Karsten, S.; Neugebauer, J.; Friák, M. et al.; Elstnerová, P.; Nikolov, S.: Crustacean skeletal elements: Variations in the constructional morphology at different hierarchical levels. DFG Winter School Priotity Programme 1420: "Biomimetic Materials Research: Functionality by Hierarchical Structuring of Materials", Kerkrade, The Netherlands (2010)
1528.
Talk
Elstnerová, P.; Friák, M.; Neugebauer, J.: Ab initio study of calcite substituted by Mg and P. Seminar talk at Masaryk University, Brno, Czech Republic (2009)
1529.
Talk
Hickel, T.; Neugebauer, J.: Simulation tools for ab initio steel design. CM Special Workshop on "Ab initio Description of Iron, Steel and Related Materials", MPIE, Düsseldorf, Germany (2009)
1530.
Talk
Grabowski, B.: Towards ab initio assisted materials design: DFT based thermodynamics up to the melting point. PhD-Defense at University of Paderborn, Paderborn, Germany (2009)
1531.
Talk
Nazarov, R.; Hickel, T.; Neugebauer, J.: Wasserstoff in X-IP Stahl (ab initio): Einfluss von Defekten auf die Energetik und Dynamik von Wasserstoff in Manganstählen. X-IP Workshop, Dortmund, Germany (2009)
1532.
Talk
Elstnerová, P.; Friák, M.; Neugebauer, J.: Ab initio study of calcite substituted by Mg and P. Multiscale design modeling 2009, Brno, Czech Republic (2009)
1533.
Talk
Nikolov, S.; Petrov, M.; Lymperakis, L.; Friák, M.; Sachs, C.; Fabritius, H.; Neugebauer, J.; Raabe, D.: Extremal stiffness of crustacean cuticle through hierarchical optimization: Theory, modeling, and experiment. 3rd International Conference on Mechanics of Biomaterials & Tissues, multiscale modeling of tissue mechanical properties, Clearwater Beach, FL, USA (2009)
1534.
Talk
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab initio Determined Fundamental Materials-design Limits in Mg–Li–X (X = Al, Si, Zn, Ca, Cu) Ternaries. Materials Research Society (MRS) meeting, Boston, MA, USA (2009)
1535.
Talk
Dick, A.; Hickel, T.; Neugebauer, J.: Ab Initio Interfacial Austenite/Martensite Energies for Accurate Stacking Fault Energy Calculations in High-Mn Steels. Materials Research Society 2010 Fall Meeting, Boston, MA, USA (2009)
1536.
Talk
Freysoldt, C.; Neugebauer, J.: Theory of defect distribution at semiconductor interfaces based on ab-initio thermodynamics. MRS Fall Meeting, Boston, MA, USA (2009)
1537.
Talk
Freysoldt, C.; Neugebauer, J.: Calculation of defect distribution at interfaces from ab-initio-based thermodynamic data. MRS Fall Meeting, Boston, MA, USA (2009)
1538.
Talk
Friák, M.; Counts, W. A.; Ma, D.; Sander, B.; Raabe, D.; Neugebauer, J.: Theory-guided Design of Bone-matched Ti-based Multi-phase Biomaterials. Materials Research Society (MRS) meeting, Boston, MA, USA (2009)
1539.
Talk
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. MRS Fall Meeting, Boston, MA, USA (2009)
1540.
Talk
Udyansky, A.; Bugaev, V.; von Pezold, J.; Friák, M.; Neugebauer, J.: An atomistic study of martensitic phases in dilute Fe-based solid solutions. MRS Fall Meeting, Boston, MA, USA (2009)
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