Suchergebnisse

Zeitschriftenartikel (72)

1. 1.
   MPG.PuRe

   DOI

   supplementary-material
   Zeitschriftenartikel

   Zhu, L.-F.; Körmann, F.; Körmann, F.; Ruban, A. V.; Neugebauer, J.; Grabowski, B.: Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni. Physical Review B 101 (14), 144108 (2020)
2. 2.
   MPG.PuRe

   DOI

   supplementary-material
   Zeitschriftenartikel

   Ishibashi, S.; Ikeda, Y.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys. Physical Review Materials 4 (2), 023608 (2020)
3. 3.
   MPG.PuRe

   DOI

   supplementary-material
   Zeitschriftenartikel

   Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Neuhaus, J.; Hradil, K.; Petry, W.; Leitner, M.: Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 123 (23), 235501 (2019)
4. 4.
   MPG.PuRe

   DOI

   supplementary-material
   Zeitschriftenartikel

   Grabowski, B.; Ikeda, Y.; Srinivasan, P.; Körmann, F.; Freysoldt, C.; Duff, A. I.; Shapeev, A.; Neugebauer, J.: Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 5 (1), 80 (2019)
5. 5.
   MPG.PuRe

   DOI
   Zeitschriftenartikel

   Korbmacher, D.; Glensk, A.; Duff, A. I.; Finnis, M. W.; Grabowski, B.; Neugebauer, J.: Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium. Physical Review B 100 (10), 104110 (2019)
6. 6.
   MPG.PuRe

   DOI
   Zeitschriftenartikel

   Guénolé, J.; Mouhib, F.-Z.; Huber, L.; Grabowski, B.; Korte-Kerzel, S.: Basal slip in laves phases: The synchroshear dislocation. Scripta Materialia 166, S. 134 - 138 (2019)
7. 7.
   MPG.PuRe

   DOI

   supplementary-material
   Zeitschriftenartikel

   Zhang, X.; Grabowski, B.; Körmann, F.; Ruban, A. V.; Gong, Y.; Reed, R. C.; Hickel, T.; Neugebauer, J.: Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 98, 224106 (2018)
8. 8.
   MPG.PuRe

   DOI
   Zeitschriftenartikel

   Huber, L.; Hadian, R.; Grabowski, B.; Neugebauer, J.: A machine learning approach to model solute grain boundary segregation. npj Computational Materials 4 (1), 64 (2018)
9. 9.
   MPG.PuRe

   DOI

   supplementary-material
   Zeitschriftenartikel

   Malyar, N. V.; Grabowski, B.; Dehm, G.; Kirchlechner, C.: Dislocation slip transmission through a coherent Σ3{111} copper twin boundary: Strain rate sensitivity, activation volume and strength distribution function. Acta Materialia 161, S. 412 - 419 (2018)
10. 10.
    MPG.PuRe

    DOI

    supplementary-material
    Zeitschriftenartikel

    Hadian, R.; Grabowski, B.; Neugebauer, J.: GB code: A grain boundary generation code. The Journal of Open Access Software 3, 900 (2018)
11. 11.
    MPG.PuRe

    DOI
    Zeitschriftenartikel

    Stockem, I.; Bergman, A.; Glensk, A.; Hickel, T.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Alling, B.: Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters 121 (12), 125902 (2018)
12. 12.
    MPG.PuRe

    DOI
    Zeitschriftenartikel

    Gong, Y.; Grabowski, B.; Glensk, A.; Körmann, F.; Neugebauer, J.; Reed, R. C.: Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni. Physical Review B 97 (21), 214106 (2018)
13. 13.
    MPG.PuRe
    Zeitschriftenartikel

    Rohwerder, M.; Schneider, J. M.; Grabowski, B.: Self-reduction for protection of metallic materials. Chernye Metally (6), S. 37 - 38 (2018)
14. 14.
    MPG.PuRe

    DOI
    Zeitschriftenartikel

    Zhang, X.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Calculating free energies of point defects from ab initio. Computational Materials Science 148, S. 249 - 259 (2018)
15. 15.
    MPG.PuRe

    DOI
    Zeitschriftenartikel

    Hadian, R.; Grabowski, B.; Finnis, M. W.; Neugebauer, J.: Migration mechanisms of a faceted grain boundary. Physical Review Materials 2 (4), 043601 (2018)
16. 16.
    MPG.PuRe

    DOI
    Zeitschriftenartikel

    Ko, W.-S.; Grabowski, B.; Neugebauer, J.: Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles. Physical Review Materials 2 (3), 030601 (2018)
17. 17.
    MPG.PuRe

    DOI

    supplementary-material
    Zeitschriftenartikel

    Katnagallu, S.; Dagan, M.; Parviainen, S.; Nematollahi, G. A.; Grabowski, B.; Bagot, P. A. J.; Rolland, N.; Neugebauer, J.; Raabe, D.; Vurpillot, F. et al.; Moody, M. P.; Gault, B.: Impact of local electrostatic field rearrangement on field ionization. Journal of Physics D: Applied Physics 51 (10), 105601, S. 1 - 10 (2018)
18. 18.
    MPG.PuRe

    DOI
    Zeitschriftenartikel

    Katnagallu, S.; Gault, B.; Grabowski, B.; Neugebauer, J.; Raabe, D.; Nematollahi, G. A.: Advanced data mining in field ion microscopy. Materials Characterization, S. 1 - 12 (2018)
19. 19.
    MPG.PuRe

    DOI
    Zeitschriftenartikel

    Zhu, L.-F.; Grabowski, B.; Neugebauer, J.: Efficient approach to compute melting properties fully from ab initio with application to Cu. Physical Review B 96 (22), 224202 (2017)
20. 20.
    MPG.PuRe

    DOI
    Zeitschriftenartikel

    Li, Z.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Raabe, D.: Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity. Acta Materialia 136, S. 262 - 270 (2017)