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杂质和辐射损伤对玻璃网的影响 - - 载铁酸盐分子动力学案例研究

Cillian Cockrell¹, Kitheri Joseph², Maulik Patel³

¹Nuclear Futures Institute, Bangor University, Dean Street, Bangor, Wales, LL57 1UT, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.

Journal of physics. Condensed matter : an Institute of Physics journal

|May 19, 2025

概括

铁酸盐玻璃废料中的作为网络修饰剂,改变了玻璃结构. 辐射损伤效应在存在时显著不同,影响在更高度下的移动性.

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.
计算化学计算化学

背景情况:

铁酸盐玻璃被研究为核材料的潜在废物.
了解嵌入式废物产品的行为,如,在辐射下对于废物形式的耐用性至关重要.
辐射诱导的结构变化可能会影响废物形式的长期稳定性和性能.

研究的目的:

研究对铁酸盐玻璃结构和辐射反应的影响.
模拟高能辐射损伤级联并分析的移动性.
为了比较含玻璃在辐射下与纯铁酸玻璃的行为.

主要方法:

用分子动力学模拟来建模辐射损伤.
模拟了重叠的70keV级联,以评估结构和拓变化.
在不同负载度下分析了玻璃网内的的流动性.

主要成果:

作为一个重要的网络修饰剂,改变了铁酸盐玻璃结构.
与纯玻璃相比,含玻璃的辐射级联会产生不同的效果.
在低度下,的流动性受到重叠级联的最小影响,但在较高负载下受到阻碍,特别是在辐射后.

结论:

作为一个被排除的网络修饰器的作用,与紧密结合的铁不同,影响了玻璃的行为.
玻璃网络在较高度下容纳效率较低,特别是在辐射后.
这些发现对于设计用于核废弃物处理的耐用铁酸玻璃废弃物的设计至关重要.

关键词:

分子动力学分子动力学玻璃玻璃玻璃的玻璃玻璃的玻璃.铁酸盐是一种铁酸盐.辐射损伤辐射损伤

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