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Title: Nature of polyamorphic transformations in H 2 O under isothermal compression and decompression

Abstract

In this paper, we report polyamorphic transformations of H2O under isothermal compression and decompression at 150 K, observed by in situ x-ray diffraction. Detailed structural information across the transformations among low-, high-, and very high-density amorphs (LDA, HDA, VHDA) reveals the mechanisms, the reversibility, and (dis)continuity of the transformations. During isothermal (de)compression, the polyamorphic transformations are characterized by a sharp and reversible LDA-VHDA transformation, with an HDA-like form (referred to as HDA’) appearing as an intermediate state. The LDA-VHDA transformation is found to occur in two steps: a discontinuous transition between LDA and HDA’ and a continuous change within HDA’ involving structural reconfigurations and finally converging to VHDA. Both LDA and VHDA are found to be structurally stable showing elastic behavior under (de)compression, while HDA’ is structurally unstable. Lastly, possible relations of these observations to low- and high-density liquids are discussed.

Authors:
 [1];  [1];  [1]
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  1. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1560071
Alternate Identifier(s):
OSTI ID: 1545957
Grant/Contract Number:  
AC02-06CH11357; FG02-99ER45775
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 7; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Shen, Guoyin, Smith, Jesse S., and Kenney-Benson, Curtis. Nature of polyamorphic transformations in H2O under isothermal compression and decompression. United States: N. p., 2019. Web. doi:10.1103/PhysRevMaterials.3.073404.
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Shen, Guoyin, Smith, Jesse S., & Kenney-Benson, Curtis. Nature of polyamorphic transformations in H2O under isothermal compression and decompression. United States. https://doi.org/10.1103/PhysRevMaterials.3.073404
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Shen, Guoyin, Smith, Jesse S., and Kenney-Benson, Curtis. Wed . "Nature of polyamorphic transformations in H2O under isothermal compression and decompression". United States. https://doi.org/10.1103/PhysRevMaterials.3.073404. https://www.osti.gov/servlets/purl/1560071.
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@article{osti_1560071,
title = {Nature of polyamorphic transformations in H2O under isothermal compression and decompression},
author = {Shen, Guoyin and Smith, Jesse S. and Kenney-Benson, Curtis},
abstractNote = {In this paper, we report polyamorphic transformations of H2O under isothermal compression and decompression at 150 K, observed by in situ x-ray diffraction. Detailed structural information across the transformations among low-, high-, and very high-density amorphs (LDA, HDA, VHDA) reveals the mechanisms, the reversibility, and (dis)continuity of the transformations. During isothermal (de)compression, the polyamorphic transformations are characterized by a sharp and reversible LDA-VHDA transformation, with an HDA-like form (referred to as HDA’) appearing as an intermediate state. The LDA-VHDA transformation is found to occur in two steps: a discontinuous transition between LDA and HDA’ and a continuous change within HDA’ involving structural reconfigurations and finally converging to VHDA. Both LDA and VHDA are found to be structurally stable showing elastic behavior under (de)compression, while HDA’ is structurally unstable. Lastly, possible relations of these observations to low- and high-density liquids are discussed.},
doi = {10.1103/PhysRevMaterials.3.073404},
journal = {Physical Review Materials},
number = 7,
volume = 3,
place = {United States},
year = {Wed Jul 31 00:00:00 EDT 2019},
month = {Wed Jul 31 00:00:00 EDT 2019}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1103/PhysRevMaterials.3.073404
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Cited by: 4 works
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Figures / Tables:

FIG. 1 FIG. 1: Experimental data from run I. (a) Contour plot with x-ray-diffraction intensity in temperature scale displaying the changes of in situ diffraction for H2O under isothermal (de)compression at 150 K. The starting material ice VIII is rapidly decompressed and transformed to LDA. Subsequent compression of LDA results in amore » relatively sharp transformation to VHDA, with an intermediate form HDA′. Upon further compression of VHDA, the crystallization of ice VII appears. (b) Positions of the first sharp diffraction peak are plotted against time. Position points are obtained using Gaussian peak fitting to diffraction patterns, with errors comparable to the symbol sizes. FSDP data display a discontinuous jump from LDA to HDA′l , whereas the FSDP positions within HDA′ (highlighted) change rapidly, but continuously, and eventually converge into that of VHDA. (c) The growth of ice VII out from VHDA. The data points of the fraction of ice VII in black squares 1 are obtained using the diffraction intensities of the (110) peak of ice VII. The fit to Avrami equation is plotted as the red dashed line, with the parameters shown in the figure. (d) In situ x-ray-diffraction patterns near the LDA-VHDA transformation, with time in seconds labeled in the figures. LDA patterns in 1.2 s right before the transformation, displaying a smooth shift of FSDP to higher $\mathcal{Q}$. (e) Diffraction patterns across the LDA-HDA′ l transformation in 0.25 s. An isosbestic point is obvious during the transformation. (f) Rapid and continuous shifts to higher $\mathcal{Q}$ corresponding to the highlighted area in (b).« less
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