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Universität Stuttgart
OPUS - Online Publikationen der Universität Stuttgart
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Auflistung nach Autor Neugebauer, Jörg
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Anzeige der Treffer 1 bis 20 von 26
nächste
Erscheinungsdatum
Titel
Autor(en)
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
Ab initio modelling of solute segregation energies to a general grain boundary
Huber, Liam
;
Grabowski, Blazej
;
Militzer, Matthias
;
Neugebauer, Jörg
;
Rottler, 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
2023
Anharmonicity in bcc refractory elements : a detailed ab initio analysis
Srinivasan, Prashanth
;
Shapeev, Alexander
;
Neugebauer, Jörg
;
Körmann, Fritz
;
Grabowski, Blazej
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
2022
Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping
Dsouza, Raynol
;
Huber, Liam
;
Grabowski, Blazej
;
Neugebauer, Jörg
2016
Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys
Ko, Won-Seok
;
Maisel, Sascha B.
;
Grabowski, Blazej
;
Jeon, Jong Bae
;
Neugebauer, Jörg
2016
Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries
Hadian, Raheleh
;
Grabowski, Blazej
;
Race, Christopher Peter
;
Neugebauer, Jörg
2018
Calculating free energies of point defects from ab initio
Zhang, Xi
;
Grabowski, Blazej
;
Hickel, Tilmann
;
Neugebauer, Jörg
2021
Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys
Ikeda, Yuji
;
Gubaev, Konstantin
;
Neugebauer, Jörg
;
Grabowski, Blazej
;
Körmann, Fritz
2021
A combined experimental and first-principles based assessment of finite-temperature thermodynamic properties of intermetallic Al3Sc
Gupta, Ankit
;
Tas, Bengü
;
Korbmacher, Dominique
;
Dutta, Biswanath
;
Neitzel, Yulia
;
Grabowski, Blazej
;
Hickel, Tilmann
;
Esin, Vladimir
;
Divinski, Sergiy V.
;
Wilde, Gerhard
;
Neugebauer, Jörg
2020
Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys
Ishibashi, Shoji
;
Ikeda, Yuji
;
Körmann, Fritz
;
Grabowski, Blazej
;
Neugebauer, Jörg
2015
Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition
Ko, Won-Seok
;
Grabowski, Blazej
;
Neugebauer, Jörg
2017
Efficient approach to compute melting properties fully from ab initio with application to Cu
Zhu, Li-Fang
;
Grabowski, Blazej
;
Neugebauer, Jörg
2021
Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials
Gubaev, Konstantin
;
Ikeda, Yuji
;
Tasnádi, Ferenc
;
Neugebauer, Jörg
;
Shapeev, Alexander V.
;
Grabowski, Blazej
;
Körmann, Fritz
2018
GB code: a grain boundary generation code
Hadian, Sherry
;
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
2018
A machine learning approach to model solute grain boundary segregation
Huber, Liam
;
Hadian, Raheleh
;
Grabowski, Blazej
;
Neugebauer, Jörg
2018
Migration mechanisms of a faceted grain boundary
Hadian, Raheleh
;
Grabowski, Blazej
;
Finnis, Michael W.
;
Neugebauer, Jörg
2020
Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: application to Al and magnetic Ni
Zhu, Li-Fang
;
Körmann, Fritz
;
Ruban, Andrei V.
;
Neugebauer, Jörg
;
Grabowski, Blazej