Investigation of anisotropic mechanical properties of textured KSr2Nb5O15 ceramics via ab-initio calculation and nanoindentation

Qian Chen, Feng Gao, Tamás Csanádi, Jie Xu, Maosen Fu, Min Wang, Ján Dusza

科研成果: 期刊稿件文章同行评审

23 引用 (Scopus)

摘要

Anisotropic mechanical properties of KSr2Nb5O15 (KSN) crystals were investigated through first-principles calculations based on density functional theory. These properties were experimentally verified via nanoindentation on textured KSN ceramics fabricated, using a reactive template grain growth method. Nanoindentation was performed in directions parallel and perpendicular to the [001] direction of samples consisting of highly oriented grains with tetragonal symmetry. Calculations revealed that Nb-O yields a relatively strong covalent effect and Nb-O octahedral distortions induce spontaneous polarization in the KSN crystal. The measured indentation modulus values concurred with the predictions, based on the calculated elastic constants, as indicated by an anisotropic ratio of ~10% between the 2 tested orientations. The hardness exhibited negligible anisotropy. However, the predictions revealed a pronounced anisotropy of the Young's modulus (ratio of ~40% between the [100] direction and a direction tilted by ~45° from the [001] toward the [100]).

源语言英语
页(从-至)5138-5150
页数13
期刊Journal of the American Ceramic Society
101
11
DOI
出版状态已出版 - 11月 2018

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