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Journal Article (64)

  1. 21.
    Journal Article
    Körmann, F.; Ikeda, Y.; Grabowski, B.; Sluiter, M. H. F.: Phonon broadening in High Entropy Alloys. npj Computational Materials 3, 36 (2017)
  2. 22.
    Journal Article
    Hadian, R.; Grabowski, B.; Race, C. P.; Neugebauer, J.: Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries. Physical Review B 94 (16), 165413 (2016)
  3. 23.
    Journal Article
    Djaziri, S.; Li, Y.; Nematollahi, G. A.; Grabowski, B.; Goto, S.; Kirchlechner, C.; Kostka, A.; Doyle, S.; Neugebauer, J.; Raabe, D. et al.; Dehm, G.: Deformation-Induced Martensite: A New Paradigm for Exceptional Steels. Advanced Materials 28 (35), pp. 7753 - 7757 (2016)
  4. 24.
    Journal Article
    Oh, H. S.; Ma, D.; Leyson, G.; Grabowski, B.; Park, E. S.; Körmann, F.; Raabe, D.: Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment. Entropy 18 (9), p. 321 - 321 (2016)
  5. 25.
    Journal Article
    Huang, L.; Grabowski, B.; Zhang, J.; Lai, M.; Tasan, C. C.; Sandlöbes, S.; Raabe, D.; Neugebauer, J.: From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium-transition metal alloys. Acta Materialia 113, pp. 311 - 319 (2016)
  6. 26.
    Journal Article
    Kim, J.-K.; Ko, W.-S.; Sandlöbes, S.; Heidelmann, M.; Grabowski, B.; Raabe, D.: The role of metastable LPSO building block clusters in phase transformations of an Mg–Y–Zn alloy. Acta Materialia 112, pp. 171 - 183 (2016)
  7. 27.
    Journal Article
    Alling, B.; Körmann, F.; Grabowski, B.; Glensk, A.; Abrikosov, I. A.; Neugebauer, J.: Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics. Physical Review B 93 (22), 224411 (2016)
  8. 28.
    Journal Article
    Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: A QM/MM approach for low-symmetry defects in metals. Computational Materials Science 118, pp. 259 - 268 (2016)
  9. 29.
    Journal Article
    Kaplan, B.; Korbmacher, D.; Blomqvist, A.; Grabowski, B.: Finite temperature ab initio calculated thermodynamic properties of orthorhombic Cr3C2. Calphad 53, pp. 72 - 77 (2016)
  10. 30.
    Journal Article
    Nematollahi, G. A.; Grabowski, B.; Raabe, D.; Neugebauer, J.: Multiscale description of carbon-supersaturated ferrite in severely drawn pearlitic wires. Acta Materialia 111, pp. 321 - 334 (2016)
  11. 31.
    Journal Article
    Leyson, G.; Grabowski, B.; Neugebauer, J.: Multiscale modeling of hydrogen enhanced homogeneous dislocation nucleation. Acta Materialia 107, pp. 144 - 151 (2016)
  12. 32.
    Journal Article
    Heidelmann, M.; Feuerbacher, M.; Ma, D.; Grabowski, B.: Structural anomaly in the high-entropy alloy ZrNbTiTaHf. Intermetallics 68, pp. 11 - 15 (2016)
  13. 33.
    Journal Article
    Sawada, H.; Kawakami, K.; Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Partitioning of Cr and Si between cementite and ferrite derived from first-principles thermodynamics. Acta Materialia 102, pp. 241 - 250 (2016)
  14. 34.
    Journal Article
    Race, C. P.; Hadian, R.; von Pezold, J.; Grabowski, B.; Neugebauer, J.: Mechanisms and kinetics of the migration of grain boundaries containing extended defects. Physical Review B 92 (17), 174115 (2015)
  15. 35.
    Journal Article
    Ma, D.; Grabowski, B.; Körmann, F.; Neugebauer, J.; Raabe, D.: Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one. Acta Materialia 100, pp. 90 - 97 (2015)
  16. 36.
    Journal Article
    Ko, W.-S.; Grabowski, B.; Neugebauer, J.: Development and application of a Ni–Ti interatomic potential with high predictive accuracy of the martensitic phase transition. Physical Review B 92 (13), 134107 (2015)
  17. 37.
    Journal Article
    Körmann, F.; Ma, D.; Belyea, D. D.; Lucas, M. S.; Miller, C. W.; Grabowski, B.; Sluiter, M. H. F.: “Treasure maps” for magnetic high-entropy-alloys from theory and experiment. Applied Physics Letters 107 (14), 142404 (2015)
  18. 38.
    Journal Article
    Huang, L.; Grabowski, B.; McEniry, E.; Trinkle, D. R.; Neugebauer, J.: Importance of coordination number and bond length in titanium revealed by electronic structure investigations. Physica Status Solidi B 252 (9), pp. 1907 - 1924 (2015)
  19. 39.
    Journal Article
    Duff, A. I.; Davey, T.; Korbmacher, D.; Glensk, A.; Grabowski, B.; Neugebauer, J.; Finnis, M. W.: Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC. Physical Review B 91 (21), 214311 (2015)
  20. 40.
    Journal Article
    Lai, M.; Tasan, C. C.; Zhang, J.; Grabowski, B.; Huang, L.; Raabe, D.: Origin of shear induced β to ω transition in Ti–Nb-based alloys. Acta Materialia 92, pp. 55 - 63 (2015)
 
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