Theoretical study on the pressure-induced structural change at high temperatures and high pressures

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We have studied the pressure-induced structural change of liquids by ab initio molecular-dynamics simulations. As for liquid carbon and sodium, we investigated the pressure dependence of the structure and electronic states of liquids and clarified the relation of the structural change and the existence of the maximum of the melting curve. As for liquid tin, we have investigated the pressure-induced structural change at high pressures up to 4GPa and found that, with increasing pressure, the structure of liquid tin changes from the complex covalent-bonding anisotropic structure to the simple metallic isotropic close-packed structure.