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Treffer Dokumente:

Erscheinungsdatum	Titel	Autor(en)
2018	Calculating free energies of point defects from ab initio	Zhang, Xi; Grabowski, Blazej; Hickel, Tilmann; Neugebauer, Jörg
2018	Dislocation slip transmission through a coherent Σ3{111} copper twin boundary: strain rate sensitivity, activation volume and strength distribution function	Malyar, Nataliya V.; Grabowski, Blazej; Dehm, Gerhard; Kirchlechner, Christoph
2018	GB code: a grain boundary generation code	Hadian, Sherry; Grabowski, Blazej; Neugebauer, Jörg
2022	Thermodynamics up to the melting point in a TaVCrW high entropy alloy : systematic ab initio study aided by machine learning potentials	Zhou, Ying; Srinivasan, Prashanth; Körmann, Fritz; Grabowski, Blazej; Smith, Roger; Goddard, Pooja; Duff, Andrew Ian
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
2022	Recent advances in understanding diffusion in muti-principal element systems	Dash, Anuj; Paul, Aloke; Sen, Sandipan; Divinski, Sergiy; Kundin, Julia; Steinbach, Ingo; Grabowski, Blazej; Zhang, Xi
2022	High-entropy hydrides for fast and reversible hydrogen storage at room temperature : binding-energy engineering via first-principles calculations and experiments	Abbas, Mohammadi; Ikeda, Yuji; Edalati, Parisa; Mito, Masaki; Grabowski, Blazej; Edalati, Kaveh
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
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
2021	Ab initio simulations of the surface free energy of TiN(001)	Forslund, Axel; Zhang, Xi; Grabowski, Blazej; Shapeev, Alexander V.; Ruban, Andrei V.