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Treffer Dokumente:

Erscheinungsdatum	Titel	Autor(en)
2020	Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys	Ishibashi, Shoji; Ikeda, Yuji; Körmann, Fritz; Grabowski, Blazej; Neugebauer, Jörg
2020	Nonadiabatic atomic-like state stabilizing antiferromagnetism and Mott insulation in MnO	Krüger, Ekkehard
2021	Structural design of advanced electrodes employing nanostructured V2O5 nanofibers for metal-ion battery application	Diem, Achim M.
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
2021	Li-ion transport and optical modulation in thin-film battery electrodes	Joshi, Yug
2021	Ab initio simulations of the surface free energy of TiN(001)	Forslund, Axel; Zhang, Xi; Grabowski, Blazej; Shapeev, Alexander V.; Ruban, Andrei V.
2021	Analysis of nickel- and iron-based superalloys on smallest length scales	Lawitzki, Robert
2021	From macro to mesoporous ZnO inverse opals : synthesis, characterization and tracer diffusion properties	Kousik, Shravan; Sipp, Diane; Abitaev, Karina; Li, Yawen; Sottmann, Thomas; Koynov, Kaloian; Atanasova, Petia
2021	Application of machine-learning for construction of bias potential: a case study of add-atom hyperdynamics and straight screw dislocation migration	Novikov, Ivan S.
2021	Crystal structure and phase stability of Co2N: a combined first-principles and experimental study	Ikeda, Yuji; Lehmann, Tanja S.; Widenmeyer, Marc; Coduri, Mauro; Grabowski, Blazej; Niewa, Rainer