The Structure of Amorphous and Deeply Supercooled Liquid Alumina

Shi, Caijuan; Alderman, Oliver L. G.; Berman, Diana; Du, Jincheng; Neuefeind, Joerg; Tamalonis, Anthony; Weber, J. K. Richard; You, Jinglin; Benmore, Chris J.

doi:10.3389/fmats.2019.00038

Title: The Structure of Amorphous and Deeply Supercooled Liquid Alumina

Journal Article · Tue Mar 19 00:00:00 EDT 2019 · Frontiers in Materials

DOI:https://doi.org/10.3389/fmats.2019.00038· OSTI ID:1518491

Shi, Caijuan; Alderman, Oliver L. G.; Berman, Diana; Du, Jincheng; Neuefeind, Joerg; Tamalonis, Anthony; Weber, J. K. Richard; You, Jinglin; Benmore, Chris J.

Liquid Al₂O₃ has been supercooled more than 500 K below its melting point (T_m = 2,327 K) using aerodynamic levitation and laser heating techniques. High energy synchrotron x-ray measurements were performed over a temperature range of 1,817 ≤ T (K) ≤ 2,700 and stroboscopic neutron diffraction at 1,984 and 2,587 K. The diffraction patterns have been fitted with Empirical Potential Structure Refinement (EPSR) models and compared to classical Molecular Dynamics (MD) simulation results. Both sets of models show similar trends, indicating the presence of high populations of AlO₄ and AlO₅ polyhedral units predominantly linked by triply shared oxygen atoms. EPSR reveals that the mean Al–O coordination number changes linearly with temperature with n_AlO = 4.41 – [1.25 × 10^-4] (T – T_m), with a 2.5 Å cutoff. Both EPSR and MD simulations reveal a direction of the temperature dependence of the aluminate network structure which moves further away from the glass forming ideal (n_AlO = 3) during supercooling. Furthermore, we provide new experimental data and models for amorphous alumina grown by sequential infiltration synthesis of a polymer template. The amorphous solid form likely has a larger Al-O coordination number than the liquid, consistent with expectations for the hypothetical glass.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; AC05- 00OR22725; SC0015241; AC05-00OR22725

OSTI ID:: 1518491

Alternate ID(s):: OSTI ID: 1510495

Journal Information:: Frontiers in Materials, Journal Name: Frontiers in Materials Vol. 6; ISSN 2296-8016

Publisher:: Frontiers Media SACopyright Statement

Country of Publication:: Switzerland

Language:: English

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36 MATERIALS SCIENCE
alumina
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x-ray diffraction

Title: The Structure of Amorphous and Deeply Supercooled Liquid Alumina

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