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Treffer Dokumente:

Erscheinungsdatum	Titel	Autor(en)
2021	Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials	Gubaev, Konstantin; Ikeda, Yuji; Tasnádi, Ferenc; Neugebauer, Jörg; Shapeev, Alexander V.; Grabowski, Blazej; Körmann, Fritz
2021	Ab initio simulations of the surface free energy of TiN(001)	Forslund, Axel; Zhang, Xi; Grabowski, Blazej; Shapeev, Alexander V.; Ruban, Andrei V.
2020	Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: application to Al and magnetic Ni	Zhu, Li-Fang; Körmann, Fritz; Ruban, Andrei V.; Neugebauer, Jörg; Grabowski, Blazej
2018	Migration mechanisms of a faceted grain boundary	Hadian, Raheleh; Grabowski, Blazej; Finnis, Michael W.; Neugebauer, Jörg
2016	Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics	Alling, Björn; Körmann, Fritz; Grabowski, Blazej; Glensk, Albert; Abrikosov, Igor A.; Neugebauer, Jörg
2019	Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab Initio	Glensk, Albert; Grabowski, Blazej; Hickel, Tilmann; Neugebauer, Jörg; Neuhaus, Jürgen; Hradil, Klaudia; Petry, Winfried; Leitner, Michael
2021	Structural and magnetic properties of newly found BaFeO2.667 synthesized by oxidizing BaFeO2.5 obtained via nebulized spray pyrolysis	Wollstadt, Stephan; Ikeda, Yuji; Sarkar, Abhishek; Vasala, Sami; Fasel, Claudia; Alff, Lambert; Kruk, Robert; Grabowski, Blazej; Clemens, Oliver
2021	Thermally-activated dislocation mobility in bcc metals : an accelerated molecular dynamics study	Grabowski, Blazej; Zotov, Nikolay
2021	Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys	Ikeda, Yuji; Gubaev, Konstantin; Neugebauer, Jörg; Grabowski, Blazej; Körmann, Fritz
2023	Performance of two complementary machine-learned potentials in modelling chemically complex systems	Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew Ian; Kästner, Johannes; Grabowski, Blazej