无机物高温下微结构的研究

An Investigation on the Micro-Structure of Inorganic Materials at High Temperature

上海市钢铁冶金新技术开发应用重点实验室 ( SELF)的 U- 1 0 0 0型 Raman谱仪经过改造已能用两种方式在高温下进行测定。其一是由共焦显微镜 -显微加热台构成的“空间分辨法”。其二是利用电阻炉加热的“时间分辨法”。SELF正在进行冶金熔渣的微结构研究。这类物质的物性 (从冶金学考虑 ,首先是熔渣中的组元活度 )数据已有不少报道 ,但为了促进技术的发展 ,急需鉴别它们的可靠程度。并且 ,还有大量未定值的物性 (例如 :粘度、表面张力、介电常数、扩散系数等 )有待预测。而打通微观结构和宏观物性之间的渠道 ,则是解决上述问题的根本途径。本文介绍了 SELF在 <2 0 0 0 K条件下的 HTRS(高温 Raman谱 )实测和 DFT- MD计算机模拟两种研究手段 ,定量分析冶金熔渣微结构的基本思路以及若干初步的结果。事实上 ,冶金熔渣、地学中的岩浆、玻璃和陶瓷 ,乃致某些宝石都可认为是一大物类 ,所以 SEL F同时也正在进行着烯土类熔盐和功能晶体的研究。

The Raman spectrometer (model U 1000) of the Shanghai Enhanced Laboratory of Ferrometallurgy (SELF) has been modified to make measurements at high temperature in two ways. The first method makes use of “space resolution” and is composed of a confocal microscope and micro heating stage. The other uses “time resolution” and an resistance furnace is employed. Both are intended to be used for research in the micro structure of metallurgical molten slag at SELF. Results on the properties of these slags are reported, including the activities of components which are of great interest to metallurgists. Activities of components have been frequently reported. To validate the new techniques, it is critical to prove the reliability of the results. Furthermore, many properties of slags are still not measured, such as their viscosity, surface tension, dielectric constant and diffusion coefficient. Even an estimate of these values is of great importance. To understand the aforementioned issues, it is necessary to connect micro structure with macro properties. We reported here two approaches taken at SELF to investigate this link. The first is to measure the high temperature Raman spectrum (HTRS) up to 2000K. The second is to use computer simulation by DFT MD. The fundamental idea and some of the preliminary results on the quantitative analysis of micro structure of metallurgical molten slags are introduced in this paper. The results may be extended to other materials in the same category as slag such as magma, glass, ceramic, and some gems. Investigations on molten salt containing rare earth or functional crystals are also carried out in SELF.