The Structure of Amorphous and Deeply Supercooled Liquid Alumina
Liquid Al2O3 has been supercooled more than 500 K below its melting point (Tm = 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 1,98...
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doaj-78617c37414b429b85b973db49a931792020-11-25T02:17:14ZengFrontiers Media S.A.Frontiers in Materials2296-80162019-03-01610.3389/fmats.2019.00038436770The Structure of Amorphous and Deeply Supercooled Liquid AluminaCaijuan Shi0Caijuan Shi1Oliver L. G. Alderman2Diana Berman3Jincheng Du4Joerg Neuefeind5Anthony Tamalonis6J. K. Richard Weber7J. K. Richard Weber8Jinglin You9Chris J. Benmore10State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, School of Materials Science and Engineering, Shanghai University, Shanghai, ChinaArgonne National Laboratory, X-Ray Science Division, Advanced Photon Source, Argonne, IL, United StatesMaterials Development, Inc., Arlington Heights, IL, United StatesMaterials Science and Engineering, University of North Texas, Denton, TX, United StatesMaterials Science and Engineering, University of North Texas, Denton, TX, United StatesNeutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, United StatesMaterials Development, Inc., Arlington Heights, IL, United StatesArgonne National Laboratory, X-Ray Science Division, Advanced Photon Source, Argonne, IL, United StatesMaterials Development, Inc., Arlington Heights, IL, United StatesState Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, School of Materials Science and Engineering, Shanghai University, Shanghai, ChinaArgonne National Laboratory, X-Ray Science Division, Advanced Photon Source, Argonne, IL, United StatesLiquid Al2O3 has been supercooled more than 500 K below its melting point (Tm = 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 nAlO = 4.41 – [1.25 × 10−4] (T – Tm), 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 (nAlO = 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.https://www.frontiersin.org/article/10.3389/fmats.2019.00038/fullaluminasupercooled liquidamorphousstructurex-ray diffractionglass forming ability |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Caijuan Shi Caijuan Shi Oliver L. G. Alderman Diana Berman Jincheng Du Joerg Neuefeind Anthony Tamalonis J. K. Richard Weber J. K. Richard Weber Jinglin You Chris J. Benmore |
spellingShingle |
Caijuan Shi Caijuan Shi Oliver L. G. Alderman Diana Berman Jincheng Du Joerg Neuefeind Anthony Tamalonis J. K. Richard Weber J. K. Richard Weber Jinglin You Chris J. Benmore The Structure of Amorphous and Deeply Supercooled Liquid Alumina Frontiers in Materials alumina supercooled liquid amorphous structure x-ray diffraction glass forming ability |
author_facet |
Caijuan Shi Caijuan Shi Oliver L. G. Alderman Diana Berman Jincheng Du Joerg Neuefeind Anthony Tamalonis J. K. Richard Weber J. K. Richard Weber Jinglin You Chris J. Benmore |
author_sort |
Caijuan Shi |
title |
The Structure of Amorphous and Deeply Supercooled Liquid Alumina |
title_short |
The Structure of Amorphous and Deeply Supercooled Liquid Alumina |
title_full |
The Structure of Amorphous and Deeply Supercooled Liquid Alumina |
title_fullStr |
The Structure of Amorphous and Deeply Supercooled Liquid Alumina |
title_full_unstemmed |
The Structure of Amorphous and Deeply Supercooled Liquid Alumina |
title_sort |
structure of amorphous and deeply supercooled liquid alumina |
publisher |
Frontiers Media S.A. |
series |
Frontiers in Materials |
issn |
2296-8016 |
publishDate |
2019-03-01 |
description |
Liquid Al2O3 has been supercooled more than 500 K below its melting point (Tm = 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 nAlO = 4.41 – [1.25 × 10−4] (T – Tm), 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 (nAlO = 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. |
topic |
alumina supercooled liquid amorphous structure x-ray diffraction glass forming ability |
url |
https://www.frontiersin.org/article/10.3389/fmats.2019.00038/full |
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