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Ultrahigh pressure structural changes in a 60 mol. % Al2O3-40 mol. % SiO2 glass

I. Ohira1,2,

1Geophysical Laboratory, Carnegie Institution of Washington, Argonne, IL 60439, USA
2Department of Earth and Planetary Materials Science, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan

Y. Kono1,3,

1Geophysical Laboratory, Carnegie Institution of Washington, Argonne, IL 60439, USA
3Geodynamics Research Center, Ehime University, Ehime 790-8577, Japan

Y. Shibazaki4,5,

4Frontier Research Institute for Interdisciplinary Sciences, Tohoku University, Aoba-ku, Sendai 980-8578, Japan
5International Center for Young Scientists, National Institute for Materials Science, Tsukuba 305-0047, Japan

C. Kenney-Benson6,

6High Pressure Collaborative Access Team, X-ray Science Division, Argonne National Laboratory, Argonne, IL 60439, USA

A. Masuno7,

7Graduate School of Science and Technology, Hirosaki University, Hirosaki 036-8561, Japan

G. Shen6

6High Pressure Collaborative Access Team, X-ray Science Division, Argonne National Laboratory, Argonne, IL 60439, USA

Affiliations  |  Corresponding Author  |  Cite as  |  Funding information

Ohira, I., Kono, Y., Shibazaki, Y., Kenney-Benson, C., Masuno, A., Shen, G. (2019) Ultrahigh pressure structural changes in a 60 mol. % Al2O3–40 mol. % SiO2 glass. Geochem. Persp. Let. 10, 41–45.

HPCAT (Sector 16 at Advanced Photon Source, Argonne National Laboratory) operation is supported by DOE-NNSA under Award No. DE-NA0001974. The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. This research is supported by JSPS overseas fellowships to I.O. and the National Science Foundation under Award No. EAR-1722495 to Y.K.. G.S. acknowledges the support of DOE-BES/DMSE under Award DE-FG02-99ER45775. Y.S. acknowledges the support of JSPS KAKENHI Grant Number 15K17784.

Geochemical Perspectives Letters v10  |  doi: 10.7185/geochemlet.1913
Received 11 September 2018  |  Accepted 26 March 2019  |  Published 3 May 2019
Copyright © The Authors

Published by the European Association of Geochemistry
under Creative Commons License CC BY-NC-ND 4.0




Figure 1 Structure factors, S(Q), determined at the Q range up to 14 Å−1 and pair distribution functions, g(r), of the A40S glass up to 131 GPa. (a) S(Q) at ambient condition. (b-c) S(Q) at high pressures displayed by a vertical offset of 0.5 and 0.6 in (b) for experiment 1 and (c) for experiment 2, respectively. (d) g(r) at ambient condition. (e-f) g(r) at high pressures displayed by a vertical offset of 0.8 and 1.0 in (e) for experiment 1 and (f) for experiment 2, respectively.
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Figure 2 The first (r1), second (r2), and third (r3) peak positions of g(r) of the A40S glass. (a) Red, blue, and black circles indicate the r1 determined in the high pressure experiments 1 and 2, and at ambient pressure, respectively. Triangles indicate the Si–O bond distance in SiO2 glass (Sato and Funamori, 2010

Sato, T., Funamori, N. (2010) High-pressure structural transformation of SiO2 glass up to 100 GPa. Physical Review B 82, 184102.

). Open diamonds and squares indicate the Si–O and Al–O bond distance in CaAl2Si2O8 glass, respectively, simulated with 416 (black) and 208 (gray) atom simulation cells (Ghosh and Karki, 2018

Ghosh, D.B., Karki, B.B. (2018) First-principles molecular dynamics simulations of anorthite (CaAl2Si2O8) glass at high pressure. Physics and Chemistry of Minerals 45, 575–587.

). The black dash lines are obtained from fitting for the Si–O and Al–O bond distances with CN = ~6. The light blue and orange lines are obtained from fitting the r1 of A40S glass at 35–102 GPa using the drSi–O(6CN)/dP and the drAl–O(6CN)/dP, respectively. The widths of lines indicate the fitting errors. (b) The r2 and r3 of the A40S glass determined in the experiments 1 (red) and 2 (blue), respectively.
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Table 1 Experimental pressure conditions and the first (r1), second (r2), and third (r3) peak positions of g(r).
Pressurer1r2r3
(GPa)(Å)(Å)(Å)
Ambient
0.00011.753 ± 0.004
Experiment 1
10.8 ± 0.71.805 ± 0.006
21.1 ± 1.11.809 ± 0.0062.604 ± 0.0403.213 ± 0.040
24.9 ± 1.21.811 ± 0.0062.582 ± 0.0403.206 ± 0.040
34.5 ± 1.71.806 ± 0.0072.560 ± 0.0403.182 ± 0.042
40.2 ± 1.71.801 ± 0.0072.561 ± 0.0403.208 ± 0.040
47.3 ± 2.91.793 ± 0.0072.545 ± 0.0413.184 ± 0.043
53.7 ± 3.31.790 ± 0.0072.544 ± 0.0413.186 ± 0.043
62.2 ± 2.31.787 ± 0.0072.534 ± 0.0403.184 ± 0.041
69.4 ± 2.51.775 ± 0.0072.533 ± 0.0403.165 ± 0.041
74.1 ± 3.21.775 ± 0.0062.532 ± 0.0403.175 ± 0.040
81.9 ± 3.11.771 ± 0.0062.537 ± 0.0403.192 ± 0.040
88.7 ± 2.81.767 ± 0.0062.524 ± 0.0403.172 ± 0.040
96.6 ± 2.71.760 ± 0.0062.522 ± 0.0403.154 ± 0.040
101.7 ± 3.3 1.754 ± 0.0062.548 ± 0.0403.185 ± 0.040
110.3 ± 4.3 1.752 ± 0.0062.540 ± 0.0403.175 ± 0.040
Experiment 2
3.7 ± 0.31.773 ± 0.006
15.5 ± 0.61.810 ± 0.0062.601 ± 0.0413.206 ± 0.041
37.4 ± 2.11.793 ± 0.0072.510 ± 0.0403.131 ± 0.040
45.8 ± 1.61.782 ± 0.0062.515 ± 0.0403.125 ± 0.040
57.8 ± 4.41.778 ± 0.0072.502 ± 0.0403.109 ± 0.040
65.6 ± 1.51.776 ± 0.0072.480 ± 0.0403.084 ± 0.040
86.3 ± 4.91.756 ± 0.0072.486 ± 0.0403.110 ± 0.041
91.4 ± 3.41.760 ± 0.0072.485 ± 0.0403.101 ± 0.040
108.1 ± 3.3 1.750 ± 0.0062.474 ± 0.0403.109 ± 0.040
113.9 ± 5.3 1.750 ± 0.0072.492 ± 0.0403.144 ± 0.040
120.9 ± 4.3 1.753 ± 0.0062.481 ± 0.0403.107 ± 0.040
130.8 ± 4.5 1.736 ± 0.0062.473 ± 0.0403.136 ± 0.040
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