Auflistung nach Autor Neugebauer, Jörg

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ErscheinungsdatumTitelAutor(en)
2017Efficient approach to compute melting properties fully from ab initio with application to CuZhu, Li-Fang; Grabowski, Blazej; Neugebauer, Jörg
2021Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentialsGubaev, Konstantin; Ikeda, Yuji; Tasnádi, Ferenc; Neugebauer, Jörg; Shapeev, Alexander V.; Grabowski, Blazej; Körmann, Fritz
2018GB code: a grain boundary generation codeHadian, Sherry; Grabowski, Blazej; Neugebauer, Jörg
2018Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticlesKo, Won-Seok; Grabowski, Blazej; Neugebauer, Jörg
2018A machine learning approach to model solute grain boundary segregationHuber, Liam; Hadian, Raheleh; Grabowski, Blazej; Neugebauer, Jörg
2018Migration mechanisms of a faceted grain boundaryHadian, Raheleh; Grabowski, Blazej; Finnis, Michael W.; 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
2019Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab InitioGlensk, Albert; Grabowski, Blazej; Hickel, Tilmann; Neugebauer, Jörg; Neuhaus, Jürgen; Hradil, Klaudia; Petry, Winfried; Leitner, Michael
2016A QM/MM approach for low-symmetry defects in metalsHuber, Liam; Grabowski, Blazej; Militzer, Matthias; Neugebauer, Jörg; Rottler, 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
2018Temperature dependence of the Gibbs energy of vacancy formation of fcc NiGong, Yilun; Grabowski, Blazej; Glensk, Albert; Körmann, Fritz; Neugebauer, Jörg; Reed, Roger C.
2018Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and NiZhang, Xi; Grabowski, Blazej; Körmann, Fritz; Ruban, Andrei V.; Gong, Yilun; Reed, Roger C.; Hickel, Tilmann; Neugebauer, Jörg
2017Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloysMaisel, Sascha B.; Ko, Won-Seok; Zhang, Jiali; Grabowski, Blazej; Neugebauer, Jörg