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Auflistung nach Autor Grabowski, Blazej

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ErscheinungsdatumTitelAutor(en)
2021A combined experimental and first-principles based assessment of finite-temperature thermodynamic properties of intermetallic Al3ScGupta, Ankit; Tas, Bengü; Korbmacher, Dominique; Dutta, Biswanath; Neitzel, Yulia; Grabowski, Blazej; Hickel, Tilmann; Esin, Vladimir; Divinski, Sergiy V.; Wilde, Gerhard; Neugebauer, Jörg
2020Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloysIshibashi, Shoji; Ikeda, Yuji; Körmann, Fritz; Grabowski, Blazej; Neugebauer, Jörg
2021Crystal structure and phase stability of Co2N: a combined first-principles and experimental studyIkeda, Yuji; Lehmann, Tanja S.; Widenmeyer, Marc; Coduri, Mauro; Grabowski, Blazej; Niewa, Rainer
2015Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transitionKo, Won-Seok; Grabowski, Blazej; Neugebauer, Jörg
2018Dislocation slip transmission through a coherent Σ3{111} copper twin boundary: strain rate sensitivity, activation volume and strength distribution functionMalyar, Nataliya V.; Grabowski, Blazej; Dehm, Gerhard; Kirchlechner, Christoph
2022Dynamic stabilization of perovskites at elevated temperatures : a comparison between cubic BaFeO3 and vacancy-ordered monoclinic BaFeO2.67Ou, Yongliang; Ikeda, Yuji; Clemens, Oliver; Grabowski, Blazej
2017Efficient approach to compute melting properties fully from ab initio with application to CuZhu, Li-Fang; Grabowski, Blazej; Neugebauer, Jörg
2022Entropy of kink pair formation on screw dislocations : an accelerated molecular dynamics studyZotov, Nikolay; Grabowski, Blazej
2019Fast anharmonic free energy method with an application to vacancies in ZrCMellan, Thomas A.; Duff, Andrew I.; Grabowski, Blazej; Finnis, Michael W.
2021Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentialsGubaev, Konstantin; Ikeda, Yuji; Tasnádi, Ferenc; Neugebauer, Jörg; Shapeev, Alexander V.; Grabowski, Blazej; Körmann, Fritz
2018GB code: a grain boundary generation codeHadian, Sherry; Grabowski, Blazej; Neugebauer, Jörg
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
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