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Treffer Dokumente:
ErscheinungsdatumTitelAutor(en)
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
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
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
2022Entropy of kink pair formation on screw dislocations : an accelerated molecular dynamics studyZotov, Nikolay; Grabowski, Blazej
2022Li5Sn, the most lithium-rich binary stannide : a combined experimental and computational studyStelzer, Robert U.; Ikeda, Yuji; Srinivasan, Prashanth; Lehmann, Tanja S.; Grabowski, Blazej; Niewa, Rainer
2022Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc FeNovikov, Ivan; Grabowski, Blazej; Körmann, Fritz; Shapeev, Alexander
2022Dynamic stabilization of perovskites at elevated temperatures : a comparison between cubic BaFeO3 and vacancy-ordered monoclinic BaFeO2.67Ou, Yongliang; Ikeda, Yuji; Clemens, Oliver; Grabowski, Blazej

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