Abstract:Ab initio molecular dynamics simulations have been employed to investigate the nature of boron incorporation in a haplobasalt melt at pressures up to 8 GPa. At ambient pressure, boron is predominantly incorporated as trigonal planar BO3 units. With increasing pressure, the proportion of tetrahedral BO4 increases markedly in parallel with increases in the coordination of other cations in silicate liquids. In contrast to studies of high-pressure boron-rich silicate glasses and liquids where boron units are polym… Show more
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