| 铝酸钠熔体Monte Carlo法计算机模拟研究 |
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| 引用本文： | 徐驰,李明,陈念贻. 铝酸钠熔体Monte Carlo法计算机模拟研究[J]. 物理化学学报, 1993, 9(5): 627-629. DOI: 10.3866/PKU.WHXB19930511 |
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| 作者姓名： | 徐驰 李明 陈念贻 |
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| 作者单位： | Shanghai Institute of Metallurgy, Academia Sinica, Shanghai 200050 |
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| 摘 要： | 用计算机Monte Carlo法研究铝酸钠熔体结构. 计算了径向分布函数和局部结构. 表明NaAlO_2熔体是由畸变的共隅AlO_4四面体离子集团、Na~+离子和xNa~+·yO~(2-)离子集团所组成.
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| 关 键 词： | 铝酸钠熔体 计算机模拟 Monte Carlo法 |
| 收稿时间： | 1992-04-13 |
| 修稿时间： | 1992-06-27 |
Computerized Simulation of the Structure of NaAlO2 Melts |
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| Xu Chi,Li Ming,Chen Nian-Yi. Computerized Simulation of the Structure of NaAlO2 Melts[J]. Acta Physico-Chimica Sinica, 1993, 9(5): 627-629. DOI: 10.3866/PKU.WHXB19930511 |
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| Authors: | Xu Chi Li Ming Chen Nian-Yi |
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| Affiliation: | Shanghai Institute of Metallurgy, Academia Sinica, Shanghai 200050 |
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| Abstract: | The structure of NaAlO_2 melt has been studied by computer simulation using Monte Carlo method. The RDF and local structure are obtained by calculation. It has been found that the NaAlO_2 melt consists of ionic clusters formed by sharing the corners of AlO_4 tetrahedra, sodium ions and xNa~+·yO~(2-) clusters. |
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| Keywords: | 2 melts',') " >NaAlO2 melts Computerized simulation Monte Carlo method |
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