@article{oai:kumadai.repo.nii.ac.jp:00024563,
 author = {Ohmura, Satoshi and 大村, 訓史 and Shimojo, Fuyuki and 下條, 冬樹},
 issue = {2},
 journal = {Physics Reports of Kumamoto University},
 month = {},
 note = {The dynamic properties of liquids GeO2 and SrGeO3 are studied by ab initio molecular-dynamics simulations. We clarify the microscopic diffusion mechanisms in liquids GeO2 and SrGeO3. In both liquids, at ambient pressure, non-bridging oxygen double bonded to only one germanium plays a key role in the atomic diffusion mechanism. It is found that, in liquid SrGeO3, which has non-bridging oxygen in the equilibrium state, atomic diffusion is possible without generating overcoordinated atoms at ambient pressure, in contrast to the fact that the overcoordinated atoms are always needed for the formation of non-bridging oxygens in liquid GeO2. When pressure increases, only liquid GeO2 has a diffusion maximum, because the atomic diffusion occurs with a concerted reaction under higher pressures, while the diffusion coefficients decrease monotonically with pressure in liquid SrGeO3.},
 pages = {279--286},
 title = {Ab initio Molecular-Dynamics Study of Atomic Diffusion in Liquid GeO2 and SrGeO3 under Pressure},
 volume = {13},
 year = {2010},
 yomi = {オオムラ, サトシ and シモジョウ, フユキ}
}