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  1. Published

    Aluminum depletion induced by co-segregation of carbon and boron in a bcc-iron grain boundary

    Ahmadian, A., Scheiber, D., Zhou, X., Gault, B., Liebscher, C., Romaner, L. & Dehm, G., 14 Oct 2021, In: Nature Communications. 12, 1, p. 1-11 6008.

    Research output: Contribution to journal › Article › Research › peer-review

  2. E-pub ahead of print

    Interstitial segregation has the potential to mitigate liquid metal embrittlement in iron

    Ahmadian, A., Scheiber, D., Zhou, X., Gault, B., Romaner, L., Kamachali, R. D., Ecker, W., Dehm, G. & Liebscher, C., 8 Apr 2023, (E-pub ahead of print) In: Advanced materials. 35.2023, 28, 11 p., 2211796.

    Research output: Contribution to journal › Article › Research › peer-review

  3. Published

    The influence of chemistry on the interface toughness in a WTi-Cu system

    Alfreider, M., Bodlos, R., Romaner, L. & Kiener, D., 15 May 2022, In: Acta Materialia. 230.2022, 15 May, 13 p., 117813.

    Research output: Contribution to journal › Article › Research › peer-review

  4. Published

    A Momentum Space View of the Surface Chemical Bond

    Berkebile, S., Ules, T., Puschnig, P., Romaner, L., Koller, G., Fleming, A., Emtsev, K., Seyller, T., Draxl, C., Netzer, F. & Ramsey, M., 2011, In: Physical chemistry, chemical physics : PCCP. 13, p. 3604-3611

    Research output: Contribution to journal › Article › Research › peer-review

  5. Published

    Ab initio investigation of the atomic volume, thermal expansion, and formation energy of WTi solid solutions

    Bodlos, R., Dengg, T., Ruban, A. V., Dehghani, M., Romaner, L. & Spitaler, J., Apr 2021, In: Physical review materials . 5, 4, p. 1-10 043601.

    Research output: Contribution to journal › Article › Research › peer-review

  6. Published

    Energies and structures of Cu/Nb and Cu/W interfaces from density functional theory and semi-empirical calculations

    Bodlos, R., Fotopoulos, V., Spitaler, J., Shluger, A. L. & Romaner, L., 13 Feb 2022, In: Materialia. 21.2022, March, 15 p., 101362.

    Research output: Contribution to journal › Article › Research › peer-review

  7. Published

    Modification of the Cu/W interface cohesion by segregation

    Bodlos, R., Scheiber, D., Spitaler, J. & Romaner, L., 2023, In: Metals : open access journal . 13.2023, 2, 16 p., 346.

    Research output: Contribution to journal › Article › Research › peer-review

  8. Published

    Applications of Data Driven Methods in Computational Materials Design

    Dösinger, C. A., Spitaler, T., Reichmann, A., Scheiber, D. & Romaner, L., 2022, In: Berg- und hüttenmännische Monatshefte : BHM. 167-2022, 1, p. 29-35 7 p.

    Research output: Contribution to journal › Article › Research › peer-review

  9. Published

    Efficient descriptors and active learning for grain boundary segregation

    Dösinger, C. A., Hodapp, M., Peil, O., Reichmann, A., Razumovskiy, V. I., Scheiber, D. & Romaner, L., 2023, In: Physical review materials . 7.2023, 11, 11 p., 113606.

    Research output: Contribution to journal › Article › Research › peer-review

  10. Published

    Descriptors based on the density of states for efficient machine learning of grain-boundary segregation energies

    Dösinger, C. A., Hammerschmidt, T., Peil, O. E., Scheiber, D. & Romaner, L., 13 Nov 2024, In: Computational materials science. 247.2025, 31 January 2025, 10 p., 113493.

    Research output: Contribution to journal › Article › Research › peer-review

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