通过静电悬浮和分子动力学模拟研究液体Zr-Nb合金的热物理特性和原子结构
1School of Physical Science and Technology, Northwestern Polytechnical University, Xi'an 710072, People's Republic of China.
Journal of physics. Condensed matter : an Institute of Physics journal
|September 19, 2023
概括
这项研究使用静电悬浮和分子动力学测量了液态Zr-Nb合金的热物理性能. 确定了实验和模拟密度,摩尔体积和扩散系数,揭示了温度依赖的结构变化.
科学领域:
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
- 计算物理 计算物理
背景情况:
- 液态Zr-Nb合金的热物理性质对于理论和应用液体物理学至关重要.
- 由于高温,对这些属性的实验测量具有挑战性.
研究的目的:
- 为了研究液态Zr-Nb合金的密度和热物理特性.
- 用模拟来探索原子结构与温度的演变.
主要方法:
- 静电悬浮用于实验测量.
- 用于理论分析的分子动力学模拟.
- 对配对分布函数,协调数和辐射分布函数的分析.
主要成果:
- 确定了Zr-Nb合金的液体温度密度和温度系数.
- 实验密度与模拟结果非常接近.
- 摩尔体积,热膨胀和扩散系数得出,显示温度依赖.
结论:
- 原子结构,包括协调号,随着温度的变化而演变.
- 原子数密度随着温度的下降而增加.
- 扩散系数随着温度和Nb含量增加而下降.
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