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Title: The Structure of Amorphous and Deeply Supercooled Liquid Alumina

Abstract

Liquid Al 2O 3 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 AlO 4 and AlO 5 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 themore » liquid, consistent with expectations for the hypothetical glass.« less

Authors:
 [1];  [2];  [3];  [3];  [4];  [2];  [5];  [6];  [2]
  1. Shanghai Univ. (China); Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Materials Development, Inc., Arlington Heights, IL (United States)
  3. University of North Texas, Denton, TX (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  5. Argonne National Lab. (ANL), Argonne, IL (United States); Materials Development, Inc., Arlington Heights, IL (United States)
  6. Shanghai Univ. (China)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1510495
Grant/Contract Number:  
AC02-06CH11357; AC05-00OR22725; SC0015241
Resource Type:
Accepted Manuscript
Journal Name:
Frontiers in Materials
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2296-8016
Publisher:
Frontiers Research Foundation
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; alumina; amorphous; glass forming ability; structure; supercooled liquid; x-ray diffraction

Citation Formats

Shi, Caijuan, Alderman, Oliver L. G., Berman, Diana, Du, Jincheng, Neuefeind, Joerg, Tamalonis, Anthony, Weber, J. K. Richard, You, Jinglin, and Benmore, Chris J.. The Structure of Amorphous and Deeply Supercooled Liquid Alumina. United States: N. p., 2019. Web. doi:10.3389/fmats.2019.00038.
Shi, Caijuan, Alderman, Oliver L. G., Berman, Diana, Du, Jincheng, Neuefeind, Joerg, Tamalonis, Anthony, Weber, J. K. Richard, You, Jinglin, & Benmore, Chris J.. The Structure of Amorphous and Deeply Supercooled Liquid Alumina. United States. doi:10.3389/fmats.2019.00038.
Shi, Caijuan, Alderman, Oliver L. G., Berman, Diana, Du, Jincheng, Neuefeind, Joerg, Tamalonis, Anthony, Weber, J. K. Richard, You, Jinglin, and Benmore, Chris J.. Tue . "The Structure of Amorphous and Deeply Supercooled Liquid Alumina". United States. doi:10.3389/fmats.2019.00038. https://www.osti.gov/servlets/purl/1510495.
@article{osti_1510495,
title = {The Structure of Amorphous and Deeply Supercooled Liquid Alumina},
author = {Shi, Caijuan and Alderman, Oliver L. G. and Berman, Diana and Du, Jincheng and Neuefeind, Joerg and Tamalonis, Anthony and Weber, J. K. Richard and You, Jinglin and Benmore, Chris J.},
abstractNote = {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.},
doi = {10.3389/fmats.2019.00038},
journal = {Frontiers in Materials},
number = ,
volume = 6,
place = {United States},
year = {2019},
month = {3}
}

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