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化二氧化的结构和动态

L B Skinner1, C J Benmore2, J K R Weber3

  • 1X-ray Science Division, Argonne National Laboratory, Argonne, IL 60439, USA. Mineral Physics Institute, Stony Brook University, Stony Brook, NY 11794-2100, USA. Materials Development, Inc., 3090 Daniels Court, Arlington Heights, IL 60004, USA. lawrie.skinner@gmail.com.

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|November 22, 2014
PubMed
概括
此摘要是机器生成的。

研究人员使用先进的技术研究了化二氧化 (UO2),一种核燃料. 他们发现,化的UO2具有较低的-氧协调数,这影响了其在反应堆事故期间的行为.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 核工程 核工程是指核工程.
  • 高温化学 高温化学

背景情况:

  • 二氧化 (UO2) 是核裂变反应堆的主要燃料.
  • 了解化UO2的行为对于严重事故期间的核反应堆安全至关重要.
  • 高温和化UO2的反应性在历史上限制了结构研究.

研究的目的:

  • 在极端温度下研究固体和化二氧化 (UO2) 的原子结构.
  • 为了确定和氧在化时的协调变化.
  • 为改善事故期间核燃料行为的建模提供数据.

主要方法:

  • 使用激光加热和样品升空技术来达到高温 (>3140 K).
  • 采用同步X射线衍射来执行对分布函数 (PDF) 测量.
  • 基于实验结构数据开发和完善分子动力学 (MD) 模型.

主要成果:

  • 在刚性UO2中观察到增加的氧气障碍,在兰巴过渡 (2670 K) 附近,U-O协调的变化最小.
  • 确定了平均U-O协调的显著下降,在化时从8降至6.7±0.5.
  • 模拟MD预测较高的U-U流动性在化状态相比,8协调化.

结论:

  • 这项研究提供了关于化UO2.2的第一个结构见解.
  • 减少的U-O协调和增加的U-U流动性是化UO2的关键特征.
  • 这些发现对于准确的核电站安全评估和事故模拟至关重要.