@article{oai:kumadai.repo.nii.ac.jp:00026793, author = {Koura, Akihide and Ohmura, Satoshi and 大村, 訓史 and Shimojo, Fuyuki and 下條, 冬樹}, issue = {1}, journal = {Physics Reports of Kumamoto University}, month = {}, note = {We investigate the isothermal pressure dependence of the diffusion properties of liquid ZnCl2 at 1650 K by means of ab initio molecular-dynamics simulations. With increasing pressure, the self-diffusion coefficient of Zn atoms, DZn, decreases slower than that of Cl atoms, DCl. As a result, the difference between DZn and DCl becomes larger with increasing pressure up to about 10 GPa. Under further compression, the difference becomes smaller. The microscopic origin of the dynamic asymmetry under pressure is discussed.}, pages = {27--31}, title = {Pressure dependence of the diffusivity of liquid ZnCl2 at high temperature by ab initio molecular-dynamics study}, volume = {14}, year = {2012}, yomi = {オオムラ, サトシ and シモジョウ, フユキ} }