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Treffer Dokumente:

Erscheinungsdatum	Titel	Autor(en)
2017	Efficient approach to compute melting properties fully from ab initio with application to Cu	Zhu, Li-Fang; Grabowski, Blazej; Neugebauer, Jörg
2018	Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles	Ko, Won-Seok; Grabowski, Blazej; Neugebauer, Jörg
2017	Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys	Maisel, Sascha B.; Ko, Won-Seok; Zhang, Jiali; Grabowski, Blazej; Neugebauer, Jörg
2018	Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni	Gong, Yilun; Grabowski, Blazej; Glensk, Albert; Körmann, Fritz; Neugebauer, Jörg; Reed, Roger C.
2019	Fast anharmonic free energy method with an application to vacancies in ZrC	Mellan, Thomas A.; Duff, Andrew I.; Grabowski, Blazej; Finnis, Michael W.
2016	A QM/MM approach for low-symmetry defects in metals	Huber, Liam; Grabowski, Blazej; Militzer, Matthias; Neugebauer, Jörg; Rottler, Jörg
2018	A machine learning approach to model solute grain boundary segregation	Huber, Liam; Hadian, Raheleh; Grabowski, Blazej; Neugebauer, Jörg
2019	Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium	Korbmacher, Dominique; Glensk, Albert; Duff, Andrew Ian; Finnis, Michael W.; Grabowski, Blazej; Neugebauer, Jörg
2017	Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures	Zhang, Xi; Grabowski, Blazej; Körmann, Fritz; Freysoldt, Christoph; Neugebauer, Jörg
2018	Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling: a combined spin and ab Initio molecular dynamics study	Stockem, Irina; Bergman, Anders; Glensk, Albert; Hickel, Tilmann; Körmann, Fritz; Grabowski, Blazej; Neugebauer, Jörg; Alling, Björn