| FEKETE, Matej, Clio AZINA, Pavel ONDRAČKA, Lukas LOFLER, Dimitri BOGDANOVSKI, Daniel PRIMETZHOFER, Marcus HANS and Jochen M. SCHNEIDER. On the determination of the thermal shock parameter of MAX phases: A combined experimental-computational study. Journal of the European Ceramic Society. Elsevier, 2023, vol. 43, No 13, p. 5484-5492. ISSN 0955-2219. Available from: https://dx.doi.org/10.1016/j.jeurceramsoc.2023.05.007. |
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@article{2347178,
author = {Fekete, Matej and Azina, Clio and Ondračka, Pavel and Lofler, Lukas and Bogdanovski, Dimitri and Primetzhofer, Daniel and Hans, Marcus and Schneider, Jochen M.},
article_number = {13},
doi = {http://dx.doi.org/10.1016/j.jeurceramsoc.2023.05.007},
keywords = {Thermal shock; Thermal shock parameter; MAX phase; Magnetron sputtering; Density functional theory},
language = {eng},
issn = {0955-2219},
journal = {Journal of the European Ceramic Society},
title = {On the determination of the thermal shock parameter of MAX phases: A combined experimental-computational study},
url = {https://doi.org/10.1016/j.jeurceramsoc.2023.05.007},
volume = {43},
year = {2023}
}
TY - JOUR
ID - 2347178
AU - Fekete, Matej - Azina, Clio - Ondračka, Pavel - Lofler, Lukas - Bogdanovski, Dimitri - Primetzhofer, Daniel - Hans, Marcus - Schneider, Jochen M.
PY - 2023
TI - On the determination of the thermal shock parameter of MAX phases: A combined experimental-computational study
JF - Journal of the European Ceramic Society
VL - 43
IS - 13
SP - 5484-5492
EP - 5484-5492
PB - Elsevier
SN - 09552219
KW - Thermal shock
KW - Thermal shock parameter
KW - MAX phase
KW - Magnetron sputtering
KW - Density functional theory
UR - https://doi.org/10.1016/j.jeurceramsoc.2023.05.007
N2 - Thermal shock resistance is one of the performance-defining properties for applications where extreme temperature gradients are required. The thermal shock resistance of a material can be described by means of the thermal shock parameter RT. Here, the thermo-mechanical properties required for the calculation of RT are quantum-mechanically predicted, experimentally determined, and compared for Ti3AlC2 and Cr2AlC MAX phases. The coatings are synthesized utilizing direct current magnetron sputtering without additional heating, followed by vacuum annealing. It is shown that the RT of both Ti3AlC2 and Cr2AlC obtained via simulations are in good agreement with the experimentally obtained ones. Comparing the MAX phase coatings, both experiments and simulations indicate superior thermal shock behavior of Ti3AlC2 compared to Cr2AlC, attributed primarily to the larger linear coefficient of thermal expansion of Cr2AlC. The results presented herein underline the potential of ab initio calculations for predicting the thermal shock behavior of ionically-covalently bonded materials.
ER -
FEKETE, Matej, Clio AZINA, Pavel ONDRAČKA, Lukas LOFLER, Dimitri BOGDANOVSKI, Daniel PRIMETZHOFER, Marcus HANS and Jochen M. SCHNEIDER. On the determination of the thermal shock parameter of MAX phases: A combined experimental-computational study. \textit{Journal of the European Ceramic Society}. Elsevier, 2023, vol.~43, No~13, p.~5484-5492. ISSN~0955-2219. Available from: https://dx.doi.org/10.1016/j.jeurceramsoc.2023.05.007.
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