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First-principles study of the thermodynamic and elastic properties of eutectic Fe–Ti alloy
Authors: Zhu, L.-F.; Friák, M.; Dick, A.; Grabowski, B.; Hickel, T.; Liot, F.; Holec, D.; Schlieter, A.; Kühn, U.; Eckert, J.; Ebrahimi, Z.; Emmerich, H.; Neugebauer, J.
Date of Publication (YYYY-MM-DD): 2012-02
Title of Journal: Acta Materialia
Volume: 60
Issue / Number: 4
Start Page: 1594
End Page: 1602
Document Type: Article
ID: 577829.0


Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications
Authors: Friák, M.; Hickel, T.; Grabowski, B.; Lymperakis, L.; Udyansky, A.; Dick, A.; Ma, D.; Roters, F.; Zhu, L.-F.; Schlieter, A.; Kühn, U.; Ebrahimi, Z.; Lebensohn, R. A.; Holec, D.; Eckert, J.; Emmerich, H.; Raabe, D.; Neugebauer, J.
Date of Publication (YYYY-MM-DD): 2011-10-20
Title of Journal: European Physics Journal Plus
Volume: 126
Start Page: 101-1
End Page: 101-22
Document Type: Article
ID: 582758.0