Slow dynamics attributed to topological frustration

动力学缓慢归因于拓扑挫败

• 批准号: 13640387
• 负责人: FUCHIZAKI Kazuhiro
• 金额: $ 2.11万
• 依托单位: Ehime University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2001
• 资助国家: 日本
• 起止时间: 2001 至 2003
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-13640387/
• 关键词: topological; frustration; amorphous; relaxation phenomena; liquid; tin tetraiodide; ガラス; 沃化錫

On the basis of a new theoretical concept of topological frustration physical mechanism of pressure-induced amorphization was investigated conducting both molecular dynamics simulations and synchrotron x-ray diffraction experiments. A molecular crystal tin tetraiodide was chosen as a target sample, which has been known as a pressure-induced glass former. The very mechanism of the amorphization was elucidated to be due to molecular dissociation. Appearance of the effects of topological frustration on the local structure as well as the macroscopic thermodynamic features in the low-pressure regime is discussed on the basis of the results hitherto obtained, which were theoretically re-examined focusing on the intermolecular interaction. A possible source of modification of the latter is a short-ranged octupole-octupole interaction, which may be a dominant contribution under high pressures. Finally, the phenomena of molecular dissociation occurred in SnI_4 is interpreted in terms of topological frustration.

在拓扑受挫理论概念的基础上，通过分子动力学模拟和同步辐射X射线衍射实验研究了压力诱导非晶化的物理机制。目标样品为分子晶体四碘化锡，它被认为是一种压力诱导玻璃成形剂。解释了非晶化的真正机制是由于分子解离。在已有结果的基础上，讨论了拓扑受挫对低压区局部结构和宏观热力学特征的影响，并从分子间相互作用的角度对这些结果进行了理论上的重新检验。后者的一个可能的修正来源是一个短程八极-八极相互作用，这可能是高压下的主要贡献。最后，从拓扑受挫的角度解释了SnI_4中的分子解离现象。

项目成果

渕崎員弘: "圧力誘起非晶質化の発現機構"日本板硝子材料工学助成会. 22(印刷中). (2004)

Kazuhiro Fuchizaki：“压力诱导非晶化的机制”，日本板硝子材料工程资助基金会（2004 年）。

K.Fuchizaki: "Mechanism of pressure-induced amorphization (in Japanese)"Nihon Itagarasu Zairyo Kogaku Joseikai. 22(in press). (2004)

K.Fuchizaki：“压力诱导非晶化的机制（日语）”Nihon Itagarasu Zairyo Kogaku Joseikai。

K.Fuchizaki: "Liquidus line of low-pressure phase of SnI-4"SPring-8 User Experiment Report. 8. 86-86 (2002)

K.Fuchizaki：“SnI-4低压相的液相线”SPring-8用户实验报告。

K.Fuchizaki: "Dynamical density functional theory for glassy behavior"Journal of Physics : Condensed Matter. 14. 12203-12222 (2002)

K.Fuchizaki：“玻璃态行为的动态密度泛函理论”物理学杂志：凝聚态物质。

K.Fuchizaki: "Dynamical density functional theory for glassy behavior"Journal of Physics : Cndensed Matter. 14. 12203-12222 (2002)

K.Fuchizaki：“玻璃态行为的动态密度泛函理论”物理学杂志：凝聚态物质。