In situ x-ray diffraction study of polyamorphism in H2O under isothermal compression and decompression

Shen, Guoyin; Smith, Jesse S.; Kenney-Benson, Curtis; Ferry, Richard A.

doi:10.1063/1.5100958

In situ x-ray diffraction study of polyamorphism in H₂O under isothermal compression and decompression

Journal Article · Fri Jun 28 00:00:00 EDT 2019 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5100958· OSTI ID:1559888

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Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division

Amorphous-amorphous transformations in H₂O have been studied under rapid isothermal compression and decompression in a diamond anvil cell together with in situ x-ray diffraction measurements using brilliant synchrotron radiation. The experimental pathways provide a density-driven approach for studying polyamorphic relations among low-, high-, and very high-density amorphs (LDA, HDA, VHDA) in a pressure range of 0-3.5 GPa at temperatures of 145-160 K. Our approach using rapid (de) compression allows for studying the polyamorphic transformations at higher temperatures than the conditions previously studied under slow (de) compression or isobaric annealing. Multiple compression-decompression cycles can be integrated with in situ x-ray measurements, thus facilitating the study of repeatability and reversibility of the polyamorphic transformations. Fast in situ x-ray diffraction measurements allow for obtaining detailed insight into the structural changes across polyamorphic transformations regarding the (dis) continuity, reversibility, and possible intermediate forms. As demonstrated at isothermal conditions of 145 K and 155 K, 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. Published under license by AIP Publishing.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1559888

Alternate ID(s):: OSTI ID: 1529662

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 24 Vol. 150; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Supercooled water: A polymorphic liquid with a cornucopia of behaviors Gallo, Paola; Loerting, Thomas; Sciortino, Francesco The Journal of Chemical Physics, Vol. 151, Issue 21 https://doi.org/10.1063/1.5135706	journal	December 2019
Nature of polyamorphic transformations in H 2 O under isothermal compression and decompression Shen, Guoyin; Smith, Jesse S.; Kenney-Benson, Curtis Physical Review Materials, Vol. 3, Issue 7 https://doi.org/10.1103/physrevmaterials.3.073404	journal	July 2019