Correlation of Ionic Conductivity with Intersurface Phenomena in Superionic-Conductor-Superlattice

超离子-导体-超晶格中离子电导率与界面现象的相关性

• 批准号: 01540267
• 负责人: KOBAYASHI Michisuke
• 金额: $ 1.15万
• 依托单位: Niigata University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for General Scientific Research (C)
• 财政年份: 1989
• 资助国家: 日本
• 起止时间: 1989 至 1990
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-01540267/
• 关键词: Superionic Conductor; Superlattice; Ionic Conductivity; Simulation; Diffusion Coefficient; Inter-surface Wave; Collective Motion; Silver Iodide; 決化銀

A computer simulation by a molecular dynamics method at constant volume has been performed to a model system which is composed of accumulating two different ionic conductors :・・・AgI-Ag_2S-AgI-Ag_2S・・・. Along the c-axis (z-axis), AgI-parts are compressed and Ag_2S-parts are stretched. About 3% of Ag ions in Ag_2S-parts have been transfered to AgI-parts. The self-diffusion coefficient of Ag ions in AgI-parts decreases by 40-50 % compared with that in a single AgI-system, while the diffusion coefficient of Ag ions in Ag_2S-parts increases by 30 % compared with that in a single Ag_2S-system. The ionic conductivity of the superlattice-system is larger than that of either material of the AgI-system or Ag_2S-system. The calculation suggests the possibility of the existence of a new material which has a larger ionic conductivity.In this calculation, the newtonian equations of motion of the particles in a fixed MD cell of volume V have been solved numerically. The total energy E has been conserved, and thus the ensemble generated by the simulation is the microcanonical or (E,V,N) ensemble. But these conditions of simulation are not the same as those normally encountered in experiments. The usual experiments are performed under conditions of constant temperature and constant pressure or (T,P,N) conditions. Then we are now performing the MD calculation at constant pressure to the superionic superlattice-system, with also considering the electronic polarizability of anions.

通过对NT离子导体进行的分子动力学进行的计算机模拟：...沿C轴（Z轴）Agi-ag_2s-agiAg_2s ... agi-parts ag_2s parts延伸与AGI-System G_2S系统相比，AGI-PART中的Ag离子的共同点降低了40-50％。该计算表明，本材料的存在具有anducti vity。在此计算中，固定体积V体积V中粒子的牛顿方程已被数值求解。 emble（ENS），但模拟的条件与实验中遇到的正常状态不同。确定超级离子超级晶格系统，还同意阴离子的电子极化性。

项目成果

M.Kobayashi: "Jump frequency of silver ions for diffusion in α-Ag_2Te" Phys.Rev.B. 40. 9552-9557 (1989)

M.Kobayashi：“银离子在 α-Ag_2Te 中扩散的跳跃频率”Phys.Rev.B. 40. 9552-9557 (1989)

T.Tomoyose: "Dynamical properties of layered superionic conductors" Phys.Rev.B. (1990)

T.Tomoyose：“层状超离子导体的动态特性”Phys.Rev.B。

T. Tomoyose, K. Yonashiro, and M. Kobayashi: "Dimensional Crossover of Collective Mode in Layered Superionic Conductors" Proceedings of the 7th Int. Conf. on Solid State Ionics, Hakone, Japan, November 5-11, 1989 Solid State Ionics. 40/41. 213-215 (1990)

T. Tomoyose、K. Yonashiro 和 M. Kobayashi：“层状超离子导体中集体模式的维度交叉”第七届国际会议论文集。

M.Kobayashi,H.Shimojo,F.Tachibana and H.Okazaki: "“Ionic Motion in Superionic Superlattice"" Solid State Ionics. 40/41. 303-307 (1990)

M.Kobayashi、H.Shimojo、F.Tachibana 和 H.Okazaki：“超离子超晶格中的离子运动”固态离子学 40/41 (1990)。

M. Kobayashi, H. Shimojo, F. Tachibana, and H. Okazaki: "Ionic Motion in Superionic Superlattice" Proceedings of the 7th Int. Conf on Solid State Ionics, Hakone, Japan, November 5-11, 1989 Solid State Ionics. 40/41. 303-307 (1990)

M. Kobayashi、H. Shimojo、F. Tachibana 和 H. Okazaki：“超离子超晶格中的离子运动”第七届国际会议论文集。