Browsing by Author Körmann, Fritz

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Showing results 1 to 13 of 13
Issue DateTitleAuthor(s)
2019Ab initio phase stabilities and mechanical properties of multicomponent alloys: a comprehensive review for high entropy alloys and compositionally complex alloysIkeda, Yuji; Grabowski, Blazej; Körmann, Fritz
2017Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperaturesZhang, Xi; Grabowski, Blazej; Körmann, Fritz; Freysoldt, Christoph; Neugebauer, Jörg
2023Anharmonicity in bcc refractory elements : a detailed ab initio analysisSrinivasan, Prashanth; Shapeev, Alexander; Neugebauer, Jörg; Körmann, Fritz; Grabowski, Blazej
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
2021Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloysIkeda, Yuji; Gubaev, Konstantin; Neugebauer, Jörg; Grabowski, Blazej; Körmann, Fritz
2020Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloysIshibashi, Shoji; Ikeda, Yuji; Körmann, Fritz; 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
2022Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc FeNovikov, Ivan; Grabowski, Blazej; Körmann, Fritz; Shapeev, Alexander
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
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
2022Thermodynamics up to the melting point in a TaVCrW high entropy alloy : systematic ab initio study aided by machine learning potentialsZhou, Ying; Srinivasan, Prashanth; Körmann, Fritz; Grabowski, Blazej; Smith, Roger; Goddard, Pooja; Duff, Andrew Ian