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Treffer 11-20 von 21 (Suchzeit: 0.001 Sekunden).
Treffer Dokumente:
ErscheinungsdatumTitelAutor(en)
2018A machine learning approach to model solute grain boundary segregationHuber, Liam; Hadian, Raheleh; Grabowski, Blazej; Neugebauer, Jörg
2019Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titaniumKorbmacher, Dominique; Glensk, Albert; Duff, Andrew Ian; Finnis, Michael W.; Grabowski, Blazej; Neugebauer, Jörg
2017Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperaturesZhang, Xi; Grabowski, Blazej; Körmann, Fritz; Freysoldt, Christoph; Neugebauer, Jörg
2018Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling: a combined spin and ab Initio molecular dynamics studyStockem, Irina; Bergman, Anders; Glensk, Albert; Hickel, Tilmann; Körmann, Fritz; Grabowski, Blazej; Neugebauer, Jörg; Alling, Björn
2016Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloysKo, Won-Seok; Maisel, Sascha B.; Grabowski, Blazej; Jeon, Jong Bae; Neugebauer, Jörg
2018Calculating free energies of point defects from ab initioZhang, Xi; Grabowski, Blazej; Hickel, Tilmann; Neugebauer, Jörg
2018GB code: a grain boundary generation codeHadian, Sherry; Grabowski, Blazej; Neugebauer, Jörg
2020Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: application to Al and magnetic NiZhu, Li-Fang; Körmann, Fritz; Ruban, Andrei V.; Neugebauer, Jörg; Grabowski, Blazej
2018Migration mechanisms of a faceted grain boundaryHadian, Raheleh; Grabowski, Blazej; Finnis, Michael W.; Neugebauer, Jörg
2016Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamicsAlling, Björn; Körmann, Fritz; Grabowski, Blazej; Glensk, Albert; Abrikosov, Igor A.; Neugebauer, Jörg

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