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. 2018 Nov 16;8:16927. doi: 10.1038/s41598-018-35260-3

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Local Structure of Liquid-Bi on Shock Compression (profiles spaced in intensity for clarity). (a) Integrated diffraction profiles from liquid-Bi from 28–68 GPa (profiles (ii–vi)), and also at 0 GPa and ~1500 K (profile (i)). (b) The corresponding S(Q) data. The prominent shoulder on the high-Q side of the first liquid peak at 0 GPa suggest that the local structure of liquid-Bi at this pressure deviates from that of a simple liquid. At higher pressures (profiles (ii–vi)) this shoulder is not observed, demonstrating that liquid-Bi is more simple and close-packed at these pressures. (c) The corresponding g(r) data. The form of g(r) changes as a shoulder on the left-hand side of the second coordination maximum becomes more prominent with increasing pressure, indicating liquid-Bi goes through a subtle and smooth transition with pressure. The full and dotted profiles in (b,c) show the S(q) and g(r) results obtained using sample densities determined using two different methods. The ambient pressure S(q) and g(r) from Greenberg et al. are shown by dashed line in (b)(i) and (c)(i) for comparison²³.