Density functional theory in materials science

Por Neugebauer, Jörg, Hickel, Tilmann
Publicado em 2013

The Basics of Electronic Structure Theory for Periodic Systems

Por Kratzer, Peter, Neugebauer, Jörg
Publicado no Front Chem (2019)

Hydrogen behaviour at twist {110} grain boundaries in α-Fe

Por McEniry, Eunan J., Hickel, Tilmann, Neugebauer, Jörg
Publicado no Philos Trans A Math Phys Eng Sci (2017)

Ab initio identified design principles of solid-solution strengthening in Al

Por Ma, Duancheng, Friák, Martin, von Pezold, Johann, Raabe, Dierk, Neugebauer, Jörg
Publicado no Sci Technol Adv Mater (2013)

Does the manual insertion torque of smartpegs affect the outcome of implant stability quotients (ISQ) during resonance frequency analysis (RFA)?

Por Kästel, Ingrid, de Quincey, Giles, Neugebauer, Jörg, Sader, Robert, Gehrke, Peter
Publicado no Int J Implant Dent (2019)

Theory-Guided Materials Design of Multi-Phase Ti-Nb Alloys with Bone-Matching Elastic Properties

Por Friák, Martin, Counts, William Art, Ma, Duancheng, Sander, Benedikt, Holec, David, Raabe, Dierk, Neugebauer, Jörg
Publicado no Materials (Basel) (2012)

Origin of the Low Magnetic Moment in Fe(2)AlTi: An Ab Initio Study

Por Friák, Martin, Slávik, Anton, Miháliková, Ivana, Holec, David, Všianská, Monika, Šob, Mojmír, Palm, Martin, Neugebauer, Jörg
Publicado no Materials (Basel) (2018)