Local structure of molten AuGa2 under pressure: Evidence for coordination change and planetary implications

Kalkan, Bora; Godwal, Budhiram; Raju, Selva Vennila; Jeanloz, Raymond

doi:10.1038/s41598-018-25297-9

Title: Local structure of molten AuGa₂ under pressure: Evidence for coordination change and planetary implications

Journal Article · Tue May 01 00:00:00 EDT 2018 · Scientific Reports

DOI:https://doi.org/10.1038/s41598-018-25297-9· OSTI ID:1436513

Kalkan, Bora ^[1]; Godwal, Budhiram ^[2]; Raju, Selva Vennila ^[3]; Jeanloz, Raymond ^[2]

Hacettepe Univ, Ankara (Turkey); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Univ. of California, Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

In situ x-ray diffraction measurements and inverse Monte Carlo simulations of pair distribution functions were used to characterize the local structure of molten AuGa2 up to 16 GPa and 940 K. Our results document systematic changes in liquid structure due to a combination of bond compression and coordination increase. Empirical potential structure refinement shows the first-neighbor coordination of Ga around Au and of Au around Ga to increase from about 8 to 10 and 4 to 5, respectively between 0 and 16 GPa, and the inferred changes in liquid structure can explain the observed melting-point depression of AuGa2 up to 5 GPa. As intermetallic AuGa2 is an analogue for metallic SiO2 at much higher pressures, our results imply that structural changes documented for non-metallic silicate melts below 100 GPa are followed by additional coordination changes in the metallic state at pressures in the 0.2-1 TPa range achieved inside large planets.

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Research Organization:: Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: NA0002198; AC02-05CH11231

OSTI ID:: 1436513

Alternate ID(s):: OSTI ID: 1462006

Journal Information:: Scientific Reports, Vol. 8, Issue 1; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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