Publications

Publications

Journal Article (15)

  1. 1.
    Journal Article
    Peter, N. J.; Frolov, T.; Duarte, M. J.; Hadian, R.; Ophus, C.; Kirchlechner, C.; Liebscher, C.; Dehm, G.: Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper. Physical Review Letters 121, 255502 (2018)
  2. 2.
    Journal Article
    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)
  3. 3.
    Journal Article
    Zhang, Z.; Koyama, M.; Wang, M.; Tsuzaki, K.; Tasan, C. C.; Noguchi, H.: Microstructural mechanisms of fatigue crack non-propagation in TRIP-maraging steels. International Journal of Fatigue 113, pp. 126 - 136 (2018)
  4. 4.
    Journal Article
    Khosravani, A.; Morsdorf, L.; Tasan, C. C.; Kalidindi, S. R.: Multiresolution mechanical characterization of hierarchical materials: Spherical nanoindentation on martensitic Fe–Ni–C steels. Acta Materialia 153, pp. 257 - 269 (2018)
  5. 5.
    Journal Article
    Ektarawong, A.; Alling, B.: Stability of SnSe1-xSx solid solutions revealed by first-principles cluster expansion. Journal of Physics: Condensed Matter 30 (29), 29LT01 (2018)
  6. 6.
    Journal Article
    Rohwerder, M.; Schneider, J. M.; Grabowski, B.: Self-reduction for protection of metallic materials. Chernye Metally (6), pp. 37 - 38 (2018)
  7. 7.
    Journal Article
    Zhang, X.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Calculating free energies of point defects from ab initio. Computational Materials Science 148, pp. 249 - 259 (2018)
  8. 8.
    Journal Article
    Ektarawong, A.; Simak, S. I.; Alling, B.: Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles. Physical Review B 97 (17), 174104 (2018)
  9. 9.
    Journal Article
    Korbmacher, D.; von Pezold, J.; Brinckmann, S.; Neugebauer, J.; Hüter, C.; Spatschek, R. P.: Modeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale. Metals 8 (4), 280 (2018)
  10. 10.
    Journal Article
    Luo, H.; Li, Z.; Mingers, A. M.; Raabe, D.: Corrosion behavior of an equiatomic CoCrFeMnNi high-entropy alloy compared with 304 stainless steel in sulfuric acid solution. Corrosion Science 134, pp. 131 - 139 (2018)
  11. 11.
    Journal Article
    Wang, M.; Li, Z.; Raabe, D.: In-situ SEM observation of phase transformation and twinning mechanisms in an interstitial high-entropy alloy. Acta Materialia 147, pp. 236 - 246 (2018)
  12. 12.
    Journal Article
    Gharavi, M.; Armiento, R.; Alling, B.; Eklund, P.: Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds. Journal of Materials Science: Materials in Electronics 53 (6), pp. 4294 - 4305 (2018)
  13. 13.
    Journal Article
    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, pp. 1 - 10 (2018)
  14. 14.
    Journal Article
    Mozafari, E.; Alling, B.; Belov, M. P.; Abrikosov, I. A.: Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture. Physical Review B 97 (3), 035152 (2018)
  15. 15.
    Journal Article
    Katnagallu, S.; Gault, B.; Grabowski, B.; Neugebauer, J.; Raabe, D.; Nematollahi, G. A.: Advanced data mining in field ion microscopy. Materials Characterization, pp. 1 - 12 (2018)

Talk (5)

  1. 16.
    Talk
    Seol, J. B.; Ko, W.-S.; Bae, J. W.; Jo, Y. H.; Li, Z.; Choi, P.-P.; Raabe, D.; Kim, H. S.: Transition in boron boundary cohesion from effectiveness to harmfulness with respect to application temperatures: high-entropy alloys and Ni-based superalloys. 2nd International Conference on High-Entropy Materials (ICHEM 2018), Jeju, South Korea (2018)
  2. 17.
    Talk
    Hadian, R.: Grain boundary dynamics. MMM 2018 (Multiscale Materials Modeling), Osaka, Japan (2018)
  3. 18.
    Talk
    Huber, L.: High-throughput calculations and modelling of solute-GB segregation. Thermec 2018 Conference, Paris, France (2018)
  4. 19.
    Talk
    Malyar, N.; Grabowski, B.; Dehm, G.; Kirchlechner, C.: Strain rate sensitivity of dislocation transmission through individual copper grain boundaries. E-MRS Spring Meeting 2018, Strasbourg, France (2018)
  5. 20.
    Talk
    Diehl, M.; Naunheim, Y.; Morsdorf, L.; Tasan, C. C.; Roters, F.; Raabe, D.: Numerical and Experimental Analysis of Strain Localization in Martensite. International Conference on Plasticity, Damage, and Fracture, San Juan, Puerto Rico, USA (2018)
 
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