1. Article › Scientific › Peer-reviewed
  2. 5f electron localization in UTX compounds

    Havela, L., Sechovský, V., Naegele, J. R., Almeida, T., Brück, E. H., Nakotte, H. & de Boer, F. R., 2 Feb 1992, In : Journal of Magnetism and Magnetic Materials. 104-107, PART 1, p. 23-24 2 p.

    Research output: Contribution to journalArticleScientificpeer-review

  3. 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

  4. Ab initio characterization of B, C, N, and O in bcc iron: Solution and migration energies and elastic strain fields

    Souissi, M., Chen, Y., Sluiter, M. H. F. & Numakura, H., 2016, In : Computational Materials Science. 124, p. 249-258

    Research output: Contribution to journalArticleScientificpeer-review

  5. Ab initio vibrational free energies including anharmonicity for multicomponent alloys

    Grabowski, B., Ikeda, Y., Srinivasan, P., Körmann, F., Freysoldt, C., Duff, A. I., Shapeev, A. & Neugebauer, J., 2019, In : npj Computational Materials. 5, 1, 7 p., 80.

    Research output: Contribution to journalArticleScientificpeer-review

  6. 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

  7. Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling: A combined spin and ab initio molecular dynamics study

    Stockem, I., Bergman, A., Glensk, A., Hickel, T., Körmann, F., Grabowski, B., Neugebauer, J. & Alling, B., 2018, In : Physical Review Letters. 121, 12, 6 p., 125902.

    Research output: Contribution to journalArticleScientificpeer-review

  8. Asphaltene Aggregation in Aqueous Solution Using Different Water Models: A Classical Molecular Dynamics Study

    Vatti, A. K., Caratsch, A., Sarkar, S., Kundarapu, L. K., Gadag, S., Nayak, U. Y. & Dey, P., 2020, In : ACS Omega. 5, 27, p. 16530–16536

    Research output: Contribution to journalArticleScientificpeer-review

  9. Atomistic modeling of the orientation-dependent pseudoelasticity in NiTi: Tension, compression, and bending

    Srinivasan, P., Nicola, L. & Simone, A., 2018, In : Computational Materials Science. 154, p. 25-36

    Research output: Contribution to journalArticleScientificpeer-review

  10. Brute force composition scanning with a CALPHAD database to find low temperature body centered Cubic High Entropy alloys

    Klaver, T. P. C., Simonovic, D. & Sluiter, M. H. F., 2018, In : Entropy. 20, 12, 18 p., 911.

    Research output: Contribution to journalArticleScientificpeer-review

  11. Calphad Modeling of LRO and SRO Using ab initio Data

    Enoki, M., Sundman, B., Sluiter, M. H. F., Selleby, M. & Ohtani, H., 2020, In : Metals. 10, 8, 31 p., 998.

    Research output: Contribution to journalArticleScientificpeer-review

Previous 1 2 3 4 5 6 7 8 ...10 Next

ID: 22374