热物理性质和液体的意想不到的粘度 (U,Zr):一个原子学调查
J Tranchida1, F Nicaud1, B W Beeler2,3
1DES, IRESNE, DEC, CEA Cadarache, Saint-Paul-Lez-Durance 13108, France.
The Journal of chemical physics
|June 5, 2024
概括
数字模拟显示,液态-混合物对于核事故形成至关重要,具有出乎意料的高粘度. 这一发现影响了对流动力学的理解.
科学领域:
- 核工程 核工程是指核工程.
- 材料科学 材料科学 材料科学
- 计算物理 计算物理
背景情况:
- 了解液体 (U,Zr) 混合物的热物理性质对于核安全至关重要.
- 这些混合物在假设的核事故期间与船舶内的形成有关.
研究的目的:
- 为了数值地研究液体 (U,Zr) 混合物的热物理性质.
- 为了评估密度,热容量,可压缩性和粘度的温度和组成依赖.
主要方法:
- 使用古典分子动力学的原子模拟.
- 开发和验证 (U,Zr) 结构的原子间潜力.
- 将模拟结果与实验数据,相图和初始数据进行比较.
主要成果:
- 对融温度和结构因素的现有数据进行验证的方法.
- 密度,热容量,可压缩性和粘度的温度和组成依赖性被评估.
- 预测粘度明显高于单元液体,多种计算方法证实了这一点.
结论:
- 该研究提供了与核事故场景相关的 (U,Zr) 混合物的关键热物理数据.
- 这些混合物的意外高预测粘度对的形成和流动动力学有重大影响.
- 需要对高粘度的影响进行进一步的研究.
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