1. 2017
  2. Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity

    Li, Z., Körmann, F., Grabowski, B., Neugebauer, J. & Raabe, D., 2017, In : Acta Materialia. 136, p. 262-270

    Research output: Contribution to journalArticleScientificpeer-review

  3. Accurate electronic free energies of the 3d,4d, and 5d transition metals at high temperatures

    Zhang, X., Grabowski, B., Freysoldt, C., Kormann, F. & Neugebauer, J., 2017, In : Physical Review B (Condensed Matter and Materials Physics). 95, 16, 13 p., 165126.

    Research output: Contribution to journalArticleScientificpeer-review

  4. Atomistic modeling-based design of novel materials

    Holec, D., Zhou, L., Riedl, H., Koller, C. M., Mayrhofer, P. H., Friák, M., Šob, M., Körmann, F., Neugebauer, J., Music, D., Hartmann, M. A. & Fischer, F. D., 2017, In : Advanced Engineering Materials. 19, 4, 19 p., 1600688.

    Research output: Contribution to journalReview articleScientificpeer-review

  5. Cohesive law describing crack growth at iron/precipitate interfaces

    Elzas, A. & Thijsse, B., 2017, In : Computational Materials Science. 134, p. 214-224

    Research output: Contribution to journalArticleScientificpeer-review

  6. Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy

    Rogal, L., Bobrowski, P., Kormann, F. H. W., Divinski, S., Stein, F. & Grabowski, B., 2017, In : Scientific Reports. 7, 14 p., 2209.

    Research output: Contribution to journalArticleScientificpeer-review

  7. Early stage precipitation in aluminum alloys: An ab initio study

    Zhang, X., 2017, 199 p.

    Research output: ThesisDissertation (TU Delft)

  8. Effect of water content on the thermal degradation of amorphous polyamide 6,6: A collective variable-driven hyperdynamics study

    Arash, B., Thijsse, B. J., Pecenko, A. & Simone, A., 2017, In : Polymer Degradation and Stability. 146, p. 260-266 7 p.

    Research output: Contribution to journalArticleScientificpeer-review

  9. Finite versus small strain discrete dislocation analysis of cantilever bending of single crystals

    Irani, N., Remmers, J. J. C. & Deshpande, V. S., 2017, In : Acta Mechanica Sinica/Lixue Xuebao. 33, 4, p. 763-777

    Research output: Contribution to journalArticleScientificpeer-review

  10. First-principles analysis of solute diffusion in dilute bcc Fe-X alloys

    Versteylen, C., van Dijk, N. & Sluiter, M., 2017, In : Physical Review B (Condensed Matter and Materials Physics). 96, 9, 13 p., 094105.

    Research output: Contribution to journalArticleScientificpeer-review

  11. Friction and plasticity of micro- and nano-scale metal contacts

    Dikken, R. . J., 2017, 107 p.

    Research output: ThesisDissertation (TU Delft)

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