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Results 1-10 of 28 (Search time: 0.001 seconds).
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Issue DateTitleAuthor(s)
2019Fast anharmonic free energy method with an application to vacancies in ZrCMellan, Thomas A.; Duff, Andrew I.; Grabowski, Blazej; Finnis, Michael W.
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
2017Efficient approach to compute melting properties fully from ab initio with application to CuZhu, Li-Fang; Grabowski, Blazej; Neugebauer, Jörg
2015Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transitionKo, Won-Seok; Grabowski, Blazej; Jörg, Neugebauer
2017Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperaturesZhang, Xi; Grabowski, Blazej; Körmann, Fritz; Freysoldt, Christoph; Neugebauer, Jörg
2016Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundariesHadian, Raheleh; Grabowski, Blazej; Race, Christopher Peter; Jörg, Neugebauer
2017Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloysMaisel, Sascha B.; Ko, Won-Seok; Zhang, Jiali; Grabowski, Blazej; 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
2019Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titaniumKorbmacher, Dominique; Glensk, Albert; Duff, Andrew Ian; Finnis, Michael W.; Grabowski, Blazej; Neugebauer, Jörg
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