2,730,000 Yen
(Direct Cost: 2,100,000 Yen Indirect Cost: 630,000 Yen)
Research Abstract
Using ab initio molecular dynamics simulations, microscopic properties of liquid metals and semiconductors under ultrahigh pressure conditions have been investigated. It is found that a novel structure appears in liquid sodium at pressures of more than 100 GPa. We also clarified that network structures consisting mainly of As4 units exist in liquid As at lower pressures and that the correlation between the As4 units is the origin of an intermediate-range order. When pressure increases, the network structure disappears and metallization occurs. In addition, the knowledge acquired from this study was used for investigation of transport properties of melts which are important for earth science.
