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Auflistung nach Autor Grabowski, Blazej

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ErscheinungsdatumTitelAutor(en)
2023High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentialsJung, Jong Hyun; Srinivasan, Prashanth; Forslund, Axel; Grabowski, Blazej
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
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
2019An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for AlBigdeli, Sedigheh; Zhu, Li-Fang; Glensk, Albert; Grabowski, Blazej; Lindahl, Bonnie; Hickel, Tilmann; Selleby, Malin
2023Interstitials in compositionally complex alloysBaker, Ian; Grabowski, Blazej; Divinski, Sergiy V.; Zhang, Xi; Ikeda, Yuji
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
2018A machine learning approach to model solute grain boundary segregationHuber, Liam; Hadian, Raheleh; Grabowski, Blazej; Neugebauer, Jörg
2022Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc FeNovikov, Ivan; Grabowski, Blazej; Körmann, Fritz; Shapeev, Alexander
2018Migration mechanisms of a faceted grain boundaryHadian, Raheleh; Grabowski, Blazej; Finnis, Michael W.; 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
2023Performance of two complementary machine-learned potentials in modelling chemically complex systemsGubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew Ian; Kästner, Johannes; Grabowski, Blazej
2019Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab InitioGlensk, Albert; Grabowski, Blazej; Hickel, Tilmann; Neugebauer, Jörg; Neuhaus, Jürgen; Hradil, Klaudia; Petry, Winfried; Leitner, Michael
2016A QM/MM approach for low-symmetry defects in metalsHuber, Liam; Grabowski, Blazej; Militzer, Matthias; Neugebauer, Jörg; Rottler, 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
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
2023Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3AlXu, Xiang; Zhang, Xi; Ruban, Andrei; Schmauder, Siegfried; Grabowski, Blazej
2021Structural and magnetic properties of newly found BaFeO2.667 synthesized by oxidizing BaFeO2.5 obtained via nebulized spray pyrolysisWollstadt, Stephan; Ikeda, Yuji; Sarkar, Abhishek; Vasala, Sami; Fasel, Claudia; Alff, Lambert; Kruk, Robert; Grabowski, Blazej; Clemens, Oliver
2018Temperature dependence of the Gibbs energy of vacancy formation of fcc NiGong, Yilun; Grabowski, Blazej; Glensk, Albert; Körmann, Fritz; Neugebauer, Jörg; Reed, Roger C.
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
2021Thermally-activated dislocation mobility in bcc metals : an accelerated molecular dynamics studyGrabowski, Blazej; Zotov, Nikolay
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