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Treffer 11-20 von 26 (Suchzeit: 0.001 Sekunden).
Treffer Dokumente:
ErscheinungsdatumTitelAutor(en)
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
2016Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundariesHadian, Raheleh; Grabowski, Blazej; Race, Christopher Peter; Neugebauer, Jörg
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
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
2017Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloysMaisel, Sascha B.; Ko, Won-Seok; Zhang, Jiali; Grabowski, Blazej; Neugebauer, Jörg
2017Ab initio modelling of solute segregation energies to a general grain boundaryHuber, Liam; Grabowski, Blazej; Militzer, Matthias; Neugebauer, Jörg; Rottler, Jörg
2016A QM/MM approach for low-symmetry defects in metalsHuber, Liam; Grabowski, Blazej; Militzer, Matthias; Neugebauer, Jörg; Rottler, Jörg
2018A machine learning approach to model solute grain boundary segregationHuber, Liam; Hadian, Raheleh; Grabowski, Blazej; Neugebauer, Jörg
2018GB code: a grain boundary generation codeHadian, Sherry; Grabowski, Blazej; Neugebauer, Jörg
2017Efficient approach to compute melting properties fully from ab initio with application to CuZhu, Li-Fang; Grabowski, Blazej; Neugebauer, Jörg

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