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Treffer 31-40 von 41 (Suchzeit: 0.001 Sekunden).
Treffer Dokumente:
ErscheinungsdatumTitelAutor(en)
2021Ab initio simulations of the surface free energy of TiN(001)Forslund, Axel; Zhang, Xi; Grabowski, Blazej; Shapeev, Alexander V.; Ruban, Andrei V.
2022Recent advances in understanding diffusion in muti-principal element systemsDash, Anuj; Paul, Aloke; Sen, Sandipan; Divinski, Sergiy; Kundin, Julia; Steinbach, Ingo; Grabowski, Blazej; Zhang, Xi
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
2022Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remappingDsouza, Raynol; Huber, Liam; Grabowski, Blazej; Neugebauer, Jörg
2022High-entropy hydrides for fast and reversible hydrogen storage at room temperature : binding-energy engineering via first-principles calculations and experimentsAbbas, Mohammadi; Ikeda, Yuji; Edalati, Parisa; Mito, Masaki; Grabowski, Blazej; Edalati, Kaveh
2021Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloysIkeda, Yuji; Gubaev, Konstantin; Neugebauer, Jörg; Grabowski, Blazej; Körmann, Fritz
2023Performance of two complementary machine-learned potentials in modelling chemically complex systemsGubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew Ian; Kästner, Johannes; Grabowski, Blazej
2023Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3AlXu, Xiang; Zhang, Xi; Ruban, Andrei; Schmauder, Siegfried; Grabowski, Blazej
2023Interstitials in compositionally complex alloysBaker, Ian; Grabowski, Blazej; Divinski, Sergiy V.; Zhang, Xi; Ikeda, Yuji
2023Anharmonicity in bcc refractory elements : a detailed ab initio analysisSrinivasan, Prashanth; Shapeev, Alexander; Neugebauer, Jörg; Körmann, Fritz; Grabowski, Blazej

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