Metastable AlB2 structured TM-Si-B2±z (TM = Ti, Zr, Hf) solid solutions from first-principles

Gutschka, C., Zauner, L., Glechner, T., Holec, D. & Riedl, H., 4 Mar 2025, In: Acta materialia. 289.2025, 1 May, 12 p.

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

Precipitation and growth behavior of β0 phase in the α2/γ lamellar colonies of an intermetallic Ti-43.5Al-4Nb-1Mo-0.1B alloy

Zhang, W., Li, H., Hu, Z., Liang, Y., Yang, J., Si, Z., Clemens, H., Scheu, C., Dehm, G. & Cha, L., 1 Mar 2025, In: Journal of alloys and compounds. 1020.2025, 15 March, 10 p., 179381.

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

Correlating grain boundary character and composition in 3-dimensions using 4D-scanning precession electron diffraction and atom probe tomography

Das, S. M., Harrison, P., Srikakulapu, K., Zhou, X., Ludwig, W., Rauch, E. F., Herbig, M. & Liebscher, C., 28 Feb 2025, In: Small Methods. 2025, 10 p., 2401650.

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

Extrinsic and intrinsic strength of amorphous olivine films

Jarnot, J., Dohmen, R., Trost, C. O. W., Mitterer, C., Cordier, P. & Glushko, O., 25 Feb 2025, In: European journal of mineralogy. 37.2025, 1, p. 91-99 9 p.

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

Effect of tramp elements on the microstructural evolution of a ferritic-pearlitic steel

Hatzenbichler, L., Vincely, C., Haslberger, P., Galler, M., Glushko, O., Holec, D., Clemens, H. & Schnitzer, R., 21 Feb 2025, In: Practical metallography = Praktische Metallographie. 62.2025, 3, p. 148-175 28 p.

Research output: Contribution to journal › Article › Research

Harvesting superior intrinsic plasticity in nitride ceramics with negative stacking fault energy

Huang, Y., Chen, Z., Meindlhumer, M., Hahn, R., Holec, D., Leiner, T., Maier-Kiener, V., Zheng, Y., Zhang, Z., Hatzenbichler, L., Riedl, H., Mitterer, C. & Zhang, Z., 23 Jan 2025, In: Acta Materialia. 286.2025, 1 March, 15 p., 120774.

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

Ab-initio grain boundary thermodynamics beyond the dilute limit

Spitaler, T., Scheiber, D., Dösinger, C. A., Hodapp, M. & Romaner, L., 14 Jan 2025, In: Acta materialia. 286.2025, 1 March, 13 p., 120725.

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

Synergistic precipitation reactions in a novel high-temperature Ti-alloy

Farabi, E., He, X., Obersteiner, D., Musi, M., Neves, J., Klein, T. & Primig, S., 9 Jan 2025, In: Scripta materialia. 259.2025, 1 April, 7 p., 116543.

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

Accurate prediction of structural and mechanical properties on amorphous materials enabled through machine-learning potentials: A case study of silicon nitride

Nayak, G. K., Srinivasan, P., Todt, J., Daniel, R., Nicolini, P. & Holec, D., 6 Jan 2025, In: Computational materials science. 249.2025, 5 February, 11 p., 113629.

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

Influence of increasing chromium content on additively manufactured tool steels: Microstructural and mechanical evolution before and after heat treatment

Ofner, N., Bodner, S., Kunnas, P., Asci, A., Kutlesa, K., Stark, A., Höbenreich, P., Aumayr, C., Wu, L., Turk, C., Keckes, J. & Meindlhumer, M., 21 Dec 2024, In: Journal of Materials Research and Technology. 34.2025, January-February, p. 2715-2727 13 p.

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

Microstructural insights into the coarse‑grained heat‑affected zone of a high‑strength all‑weld metal: Development of a continuous cooling transformation diagram

Schrittwieser, D., Marin Morales, D., Pahr, H., Lumper-Wimler, L., Glushko, O. & Schnitzer, R., 18 Dec 2024, In: Welding in the world. 69.2025, March, p. 813-823 11 p.

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

On the impact of nitrogen and aluminum doping on silicon carbide polytype stability: Insights from first principle calculations

Rajabzadeh, Z., Hammer, R. & Romaner, L., 10 Dec 2024, In: Journal of the American Ceramic Society. 108.2024, 4, 9 p., e20284.

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

Site-specific femtosecond laser ablation: The pathway to high-throughput atom probe tomography characterization

Tang, J., Renk, O. & Tkadletz, M., 6 Dec 2024, In: Materials characterization. 219.2025, January, 8 p., 114618.

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

Magnetic moments in CrN-based systems are robust: An ab initio study of alloys and superlattices

Matas, M., Mayrhofer, P. H. & Holec, D., 23 Nov 2024, In: Surface & coatings technology. 496.2025, 15 January, 8 p., 131540.

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

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

Revealing the embrittlement phenomena after post-weld heat treatment of high-strength weld metal using high-resolution microscopy

Schrittwieser, D., Pahr, H., Musi, M., Landefeld, A., Glushko, O. & Schnitzer, R., 21 Oct 2024, In: Journal of Materials Research and Technology. 33.2024, November-December, p. 5289-5298 10 p.

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

Strong high-density composites from wheat straw

Neudecker, F., Veigel, S., Bodner, S., Keckes, J., Duchoslav, J., Stifter, D. & Gindl-Altmutter, W., 18 Oct 2024, In: Composites Part A: Applied Science and Manufacturing. 188.2025, January, 11 p., 108533.

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

Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review

Edalati, K., Ahmed, A. Q., Akrami, S., Ameyama, K., Aptukov, V., Asfandiyarov, R. N., Ashida, M., Astanin, V., Bachmaier, A., Beloshenko, V. A., Bobruk, E. V., Bryła, K., Cabrera, J. M., Carvalho, A. P., Chinh, N. Q., Choi, I.-C., Chulist, R., Cubero-Sesin, J. M., Davidan, G. & Demirtas, M. & 102 others, Divinski, S., Durst, K., Dvorak, J., Edalati, P., Emura, S., Enikeev, N. A., Faraji, G., Figueiredo, R. B., Floriano, R., Fouladvind, M., Fruchart, D., Fuji, M., Fujiwara, H., Gajdics, M., Gheorghe, D., Gondek, L., González-Hernández, J. E., Gornakova, A., Grosdidier, T., Gubicza, J., Gunderov, D., He, L., Higuera, O. F., Hirosawa, S., Hohenwarter, A., Horita, Z., Horky, J., Huang, Y., Huot, J., Ikoma, Y., Ishihara, T., Ivanisenko, J., Jang, J.-I., Jorge Jr, A. M., Kawabata-Ota, M., Kawasaki, M., Khelfa, T., Kobayashi, J., Kommel, L., Korneva, A., Král, P., Kudriashova, N., Kuramoto, S., Langdon, T. G., Lee, D.-H., Levitas, V. I., Li, C., Li, H.-W., Li, Y., Li, Z., Lin, H.-J., Liss, K.-D., Liu, Y., Cardona, D. M., Matsuda, K., Mazilkin, A., Mine, Y., Miyamoto, H., Moon, S.-C., Müller, T., Munoz, J. A., Murashkin, M. Y., Naeem, M., Novelli, M., Olasz, D., Pippan, R., Popov, V. V., Popova, E. N., Purcek, G., de Rango, P., Renk, O., Retraint, D., Révész, Á., Roche, V., Rodriguez-Calvillo, P., Romero-Resendiz, L., Sauvage, X., Sawaguchi, T., Sena, H., Shahmir, H., Shi, X., Sklenicka, V., Skrotzki, W., Skryabina, N., Staab, F., Straumal, B. B., Sun, Z., Szczerba, M., Takizawa, Y., Tang, Y., Valiev, R. Z., Vozniak, A., Voznyak, A., Wang, B., Wang, J. T., Wilde, G., Zhang, F., Zhang, M., Zhang, P., Zhou, J., Zhu, X. & Zhu, Y. T., 15 Oct 2024, In: Journal of alloys and compounds. 1002.2024, 15 October, 150 p., 174667.

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

Enhanced thermomechanical fatigue resistance in W10Re alloys: Microstructural and surface engineering approaches

Sommerauer, M., Seligmann, B., Gottlieb, H., Hohenwarter, A., You, J.-H., Bostrom, N., Pippan, R., Siller, M. & Maier-Kiener, V., 11 Oct 2024, In: Nuclear Materials and Energy. 41.2024, December, 11 p., 101769.

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

Machine learning assisted calibration of PVT simulations for SiC crystal growth

Taucher, L., Ramadan, Z., Hammer, R., Obermüller, T., Auer, P. & Romaner, L., 10 Oct 2024, In: CrystEngComm. 44.2024, 26, p. 6322-6335 14 p.

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

Linear volumetric additive manufacturing of zirconia from a transparent photopolymerizable ceramic slurry via Xolography

Sänger, J. C., König, N. F., De Marzi, A., Zocca, A., Franchin, G., Bermejo, R., Colombo, P. & Günster, J., Sept 2024, In: Open ceramics. 19, 100655.

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

Tensile strength prediction of steel sheets: An insight into data-driven models, dimensionality reduction, and feature importance

Millner, G., Mücke, M., Romaner, L. & Scheiber, D., 24 Aug 2024, In: Modelling and simulation in materials science and engineering. 32.2024, 7, 23 p., 075004.

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

Microstructure evolution and mechanical properties of a lamellar AlCoCrFeNi2.1 eutectic high-entropy alloy processed by high-pressure torsion

Zhang, Z., Fellner, S., Hohenwarter, A., Renk, O., Huang, Y., Chen, Z., Song, K., Li, C., Gammer, C. & Eckert, J., 23 Aug 2024, In: Materials science and engineering: A, Structural materials: properties, microstructure and processing. 914.2024, November, 12 p., 147139.

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

Novel Fe-Mo intermetallic composite synthesized via diffusional-displacive mixed-mode transformation

Varanasi, R. S., Srikakulapu, K., Utsumi, R., Saitoh, H., Schnitzer, R., Akiyama, E. & Koyama, M., 18 Aug 2024, In: Materials characterization. 216.2024, October, 10 p., 114287.

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

Grain boundary segregation for the Fe-P system: Insights from atomistic modeling and Bayesian inference

Reichmann, A., Tuchinda, N., Dösinger, C. A., Scheiber, D., Razumovskiy, V. I., Peil, O. E., Matson, T. P., Schuh, C. A. & Romaner, L., 26 Jul 2024, In: Acta materialia. 279.2024, 15 October, 11 p., 120215.

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

State-of-the-art and future directions of fs-laser assisted specimen preparation techniques for atom probe tomography measurements

Tkadletz, M., Schiester, M., Renk, O. & Schalk, N., 24 Jul 2024, In: Microscopy and microanalysis. 30.2024, Supplement 1, p. 89-90 2 p.

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

Hydrogen penetration into the NiTi superelastic alloy investigated in-situ by synchrotron diffraction experiments

Weiser, A., Todt, J., Holcova, J., Zalezak, T., Paulik, A., Holec, D., Jary, M., Zobac, O., Mrazek, J., Frenzel, J., Keckes, J. & Dlouhý, A., 23 Jul 2024, In: Acta materialia. 277.2024, 15 September, 11 p., 120217.

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

Ab initio framework for deciphering trade-off relationships in multicomponent alloys

Moitzi, F., Romaner, L., Ruban, A. V., Hodapp, M. & Peil, O. E., 16 Jul 2024, In: npj computational materials. 2024, 10, 16 p., 152.

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

Comparative analysis of experimental techniques for microstructural characterization of novel nanostructured aluminium alloys

Willenshofer, P., Santa Rosa Coradini, D., Renk, O., Uggowitzer, P., Tunes, M. A. & Pogatscher, S., 11 Jul 2024, (E-pub ahead of print) In: Materials characterization. 215.2024, September, 8 p., 114154.

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

How to catch a shear band and explain plasticity of metallic glasses with continuum mechanics

Glushko, O., Pippan, R., Şopu, D., Mitterer, C. & Eckert, J., 3 Jul 2024, In: Nature Communications. 2024, 15, 11 p., 5601.

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

Possible charge ordering and anomalous transport in graphene/graphene quantum dot heterostructure

Roy, R., Holec, D., Michal, L., Hemzal, D., Sarkar, S., Kumar, G. S., Nečas, D., Dhankhar, M., Kaushik, P., Gómez, I. J. & Zajíčková, L., 3 Jul 2024, In: Journal of physics (Condensed matter). 2024, 36, 12 p., 265601.

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

Unveiling the mechanism of deformation‑induced supersaturation

Kormout, K. S., Romaner, L., Scheiber, D., Zeiler, S., Pippan, R. & Bachmaier, A., 2 Jul 2024, In: Scientific reports. 2024, 14, 7 p., 15247.

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

Refined cyclic R-curve determination through residual crack tip stress reduction by annealing

Walch, L., Klünsner, T., Ressel, G., Marsoner, S. M., Pippan, R., Hackl, A., Leitner, H. & Hohenwarter, A., 27 Jun 2024, In: International Journal of Fatigue. 187.2024, October, 108480.

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

High-Throughput First-Principles Calculations and Machine Learning of Grain Boundary Segregation in Metals

Scheiber, D., Razumovskiy, V. I., Peil, O. E. & Romaner, L., 21 Jun 2024, In: Advanced engineering materials. 26.2024, 19, 18 p., 2400269.

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

A new approach for in situ electrochemical nanoindentation: Side charging as a promising alternative

Zeiler, S., Jelinek, A., Terziyska, V., Schwaiger, R., Mitterer, C., Brinckmann, S. & Maier-Kiener, V., 14 Jun 2024, (E-pub ahead of print) In: Acta materialia. 276.2024, 1 September, 9 p., 120113.

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

Saturation of grain fragmentation upon severe plastic Deformation: Fact or fiction?

Renk, O., Hohenwarter, A., Edalati, K. & Kapp, M. W., 14 Jun 2024, In: Advanced engineering materials. 26.2024, 19, 12 p.

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

Materials science-based guidelines to develop robust hard thin film materials

Mayrhofer, P. H., Clemens, H. & Fischer, F.-D., 3 Jun 2024, In: Progress in materials science. 146.2024, December, 57 p., 101323.

Research output: Contribution to journal › Review article › peer-review

Ab initio study of oxygen vacancy filament formation at Ta/HfO2 interface

Zhang, D., Wang, J., Wu, Q., Du, Y. & Holec, D., Jun 2024, In: Surfaces and Interfaces. 49.2024, June, 11 p., 104418.

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

Nanocomposite versus solid solution formation in the TiSiN system

Schalk, N., Moritz, Y., Nayak, G. K., Holec, D., Hugenschmidt, C., Burwitz, V. V., Mathes, L., Schiester, M., Saringer, C., Czettl, C., Pohler, M., Mitterer, C. & Tkadletz, M., 30 May 2024, (E-pub ahead of print) In: Acta materialia. 275.2024, 15 August, 10 p., 120063.

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

Interplay between alloying and tramp element effects on temper embrittlement in bcc iron: DFT and thermodynamic insights

Reiners-Sakic, A., Schnitzer, R. & Holec, D., 27 May 2024, In: Acta materialia. 275.2024, 15 August, 12 p., 120044.

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

Predictive Model for Catalytic Methane Pyrolysis

Pototschnig, U., Matas, M., Scheiblehner, D., Neuschitzer, D., Obenaus-Emler, R., Antrekowitsch, H. & Holec, D., 25 May 2024, In: Journal of physical chemistry C (C, Nanomaterials and interfaces). 128.2024, 22, p. 9034-9040 7 p.

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

Design and characterization of novel Zr-Al-Fe-Y metallic glasses with nanoscale phase separation

Singh, D., Parthiban, R., Jelinek, A., Bhattacharya, R., Chen, Z., Fellner, S., Gammer, C., Zhang, Z. & Eckert, J., May 2024, In: Materialia. 34.2024, May, 7 p., 102104.

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

Peculiarity of hydrogen absorption in duplex steels: Phase-selective lattice swelling and stress evolution

Pogrielz, T., Eichinger, M., Weiser, A., Todt, J., Hohenwarter, A., Ascii, A., Sarac, B., Brandl, D., Ressel, G., Jary, M., Dlouhý, A., Mori, G. K. & Keckes, J., 27 Apr 2024, (E-pub ahead of print) In: Scripta Materialia. 248.2024, 15 July, 7 p., 116142.

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

Effect of Nb incorporation in Mo2BC coatings on structural and mechanical properties—Ab initio modelling and experiment

Zenisek, J., Soucek, P., Ondračka, P., Czigány, Z., Buršíková, V., Holec, D., Balazsi, K. & Vasina, P., 15 Apr 2024, In: Acta materialia. 268.2024, 15 April, 12 p., 119741.

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

Structure–Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys

Friák, M., Cipek, P., Pavlu, J., Zobac, O., Roupcova, P., Miháliková, I., Holec, D., Msallamova, S. & Michalcova, A., 4 Apr 2024, In: Metallurgical and materials transactions. A, Physical metallurgy and materials science . 55.2024, June, p. 1867-1877 11 p.

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

Elucidating effects of Eu and P on solidification and precipitation of Al-7Si-0.3Mg based alloys refined by Ta and TiB2

Spáčil, I., Gehringer, D., Holec, D., Albu, M. & LI, J., 25 Mar 2024, In: Journal of alloys and compounds. 978.2024, 25 March, 16 p., 173343.

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

Effect of intercritical annealing on the microstructure and mechanical properties of a PH 13-8 Mo maraging steel

Rosenauer, A., Teusl, S., Landefeld, A., Brandl, D., Ressel, G., Hönigmann, T., Stadler, M., Turk, C., Maawad, E., Stockinger, M. & Schnitzer, R., Mar 2024, In: Materials science and engineering: A, Structural materials: properties, microstructure and processing. 895.2024, March, 13 p., 146220.

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

Hydrogen trapping in mixed carbonitrides

Hammer, P., Romaner, L. & Razumovskiy, V. I., 10 Feb 2024, In: Acta materialia. 268.2024, 15 April, 18 p., 119754.

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

Multiscale in-situ observations of the micro- and nanostructure of a PH 13-8 Mo maraging steel during austenitization

Rosenauer, A., Brandl, D., Ressel, G., Hönigmann, T., Stadler, M., Turk, C., Gammer, C., Wiessner, M., Gamsjäger, E., Stockinger, M. & Schnitzer, R., Feb 2024, In: Materials characterization. 208.2024, February, 13 p., 113554.

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