Unified view for pressure-induced successive changes from amorphization to re-entrant crystallization

压力引起的从非晶化到重入结晶的连续变化的统一视图

基本信息

批准号：
16540343
负责人：
FUCHIZAKI Kazuhiro
金额：
$ 0.96万
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：
2004
资助国家：
日本
起止时间：
2004 至 2005
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-16540343/
关键词：
pressure structural phase transition amorphization molecular crystal cluster optimization polymerization

项目摘要

A new idea of "thermodynamic optimization for spatial configuration among elements with variable size" is proposed. On the basis of this idea the reporter has tried to explain a series of structural changes induced by uploading pressure. To this end, a molecular crystal tin tetraiodide was chosen as a prototype substance, which undergoes pressure-induced amorphization followed by re-entrant crystallization. If tin atoms are assumed to occupy the tetrahedral interstitial sites of the host lattice made of iodines, frustration will come up in finding possible occupation sites as far as the tin does always take four iodines as nearest neighbors. According to this rule the lower-pressure phase structure automatically appears as a case without any frustration. However, frustration develops with increasing tin population. The local energy of the frustrated site becomes higher as compared to nonfrustated site. The Hamiltonian can then be written down by suitably assigning the local energies. T … More he series of structural variations were thus qualitatively explained by minimizing the free energy obtained through the Hamiltonian.The idea can be adapted to describe the physical origin of polyamorphism. It is naturally inferred that a pressure-induced liquid-to-liquid transition will take place in tin tetraiodide. In fact, from the melting curve of the low-pressure crystalline phase was found to have a break at around 1.5 GPa, beyond which the melting curve becomes almost flat. This suggests that the density of the low-pressure liquid differs from that on the higher-pressure side. Finally, we have succeeded in showing direct evidence for the existence of the two liquids with different local structures by conducting in situ synchrotron x-ray diffraction experiments. The present idea yields, when treated within mean-field approximation, a regular solution treatment. The phase diagram of tin tetraiode was constructed within this framework, which included a new critical point and spinodal lines. Less

提出了一个新的想法“用于变化尺寸的元素之间的空间配置的热力学优化”。根据这个想法，记者试图解释上传压力引起的一系列结构变化。为此，选择了分子晶体锡四碘化物作为原型物质，该物质经历了压力诱导的非晶化，然后重新进入结晶。如果假定锡原子占据了由碘的宿主晶格的四面体间隙部位，那么在寻找可能的居住地点时，挫败感将会出现，直到锡总是将四个碘作为最近的邻居作为最近的邻居。根据此规则，较低的阶段结构自动出现在没有任何挫败感的情况下。但是，随着锡人群的增加，挫败感发展。与未经条件的站点相比，沮丧地点的局部能量变得更高。然后，可以通过适当地分配当地能量来写下哈密顿量。因此，通过最大程度地减少了通过哈密顿量获得的自由能来定性地解释更多的结构变化。该想法可以适应多态性的物理起源。自然而然地推断出压力诱导的液体到液的过渡将在锡四碘化物中进行。实际上，发现从低压晶相的熔融曲线在1.5 GPA左右发生断裂，在此之后，熔融曲线几乎变得平坦。这表明低压液体差的密度与高压侧的密度。最后，我们通过进行原位同步加速器X射线衍射实验，成功地展示了具有不同局部结构的两种液体存在的直接证据。当在平均场近似值内处理时，当前的想法会产生常规溶液处理。在此框架内构建了TIN TETRAIODE的相图，其中包括一个新的临界点和旋转线。较少的

项目成果

期刊论文数量（22）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Effect of octupole-octupole interactions of on the thermodynamic stability of the low-pressure crystalline state of SnI_4 molecular crystal

八极-八极相互作用对SnI_4分子晶体低压晶态热力学稳定性的影响

DOI：
发表时间：
2004
期刊：
Solid State Communications 132
影响因子：
0
作者：
F.Matsubara;T.Shirakura;S.Takahashi;Y.Baba;Kazuhiro Fuchizaki;Kazhiro Fuchizaki;Kazuhiro Fuchizaki;渕崎員弘;Kazuhiro Fuchizaki;Kazuhiro Fuchizaki
通讯作者：
Kazuhiro Fuchizaki

圧力誘起非晶質化の発現機構

压力诱导非晶化的机理

DOI：
发表时间：
2004
期刊：
日本板硝子材料工学助成会誌 22
影响因子：
0
作者：
F.Matsubara;T.Shirakura;S.Takahashi;Y.Baba;Kazuhiro Fuchizaki;Kazhiro Fuchizaki;Kazuhiro Fuchizaki;渕崎員弘
通讯作者：
渕崎員弘

Murnaghan's Equation of State Revisited

穆纳汉状态方程重温

DOI：
发表时间：
2006
期刊：
Journal of Physical Society of Japan 75
影响因子：
0
作者：
F.Matsubara;T.Shirakura;S.Takahashi;Y.Baba;Kazuhiro Fuchizaki
通讯作者：
Kazuhiro Fuchizaki

Effect of octupole-octupole interactions on the thermodynamic stability of the low-pressure crystalline state of SnI_4 molecular crystals

八极-八极相互作用对SnI_4分子晶体低压晶态热力学稳定性的影响

DOI：
发表时间：
2004
期刊：
Solid State Communications 132
影响因子：
0
作者：
F.Matsubara;T.Shirakura;S.Takahashi;Y.Baba;Kazuhiro Fuchizaki;Kazhiro Fuchizaki;Kazuhiro Fuchizaki;渕崎員弘;Kazuhiro Fuchizaki;Kazuhiro Fuchizaki;Kazuhiro Fuchizaki;Kazuhiro Fuchizaki;Kazuhiro Fuchizaki;K.Fuchizaki;K.Fuchizaki
通讯作者：
K.Fuchizaki

Physical Mechanism of Pressure-Induced Amorphization

压力诱导非晶化的物理机制

DOI：
发表时间：
2004
期刊：
Nippon Sheet Glass Foundation for Materials Science and Engineering Report 22
影响因子：
0
作者：
F.Matsubara;T.Shirakura;S.Takahashi;Y.Baba;Kazuhiro Fuchizaki;Kazhiro Fuchizaki;Kazuhiro Fuchizaki;渕崎員弘;Kazuhiro Fuchizaki;Kazuhiro Fuchizaki;Kazuhiro Fuchizaki
通讯作者：
Kazuhiro Fuchizaki