Atomistic modelling and experimental verification of vitrified matrices for waste encapsulation

多年来对乏核废料的封装及其储存是核能技术的一个关键方面。至关重要的是，这一过程是可靠的，并得到科学证明，在废物保持活跃的预期寿命内是稳定的。只有在证明这一过程是安全和无害环境的情况下，公众对核能的信心才会增强。然而，许多乏燃料废物形式所需的储存时间比60年左右的时间要长得多，以至于到目前为止，核电产生的废物无法通过直接的实验观察来证实这一点。这一建议是基于开发计算机模型，即在长时间尺度上辐射引起封装材料的结构变化。要研究的主要材料是硼硅酸盐和铁磷酸盐玻璃，还将对这些材料的模型进行实验验证。通常使用的是硼硅酸盐玻璃，但磷酸铁可能是一种新的候选废物形式，可能会增加高放射性废物负荷。使用计算机模型和实验相结合的方法来研究这些封装材料，我们将能够做出预测，使工程师能够选择最适合长期结构完整性的材料，并有助于增强公众对这一核技术关键部分的信心。

The encapsulation of spent nuclear waste and its storage over many years is a crucial aspect of nuclear energy technology. It is vital that this process is reliable and scientifically proven to be stable over the expected lifetime in which the waste remains active. Public confidence in nuclear energy will only be enhanced if this process can be proved to be safe and environmentally sound. However the required storage times for many spent fuel waste forms is so much longer than the 60 years or so that waste has so far been produced by nuclear power that it is not possible to verify this by direct experimental observation.This proposal is based on developing computer models of the radiation induced structural changes in the encapsulation materials over long time scales. The main materials to be investigated are borosilicate and iron phosphate glasses and there will also be experimental verification of the models for these materials. Borosilicate glasses are typically used but iron phosphate may be a new candidate waste form that could enhance high level waste loading.Using a combination of computer models and experiments to investigate these encapsulation materials, we will be able to make predictions that will enable engineers to choose the most appropriate materials for long time structural integrity and help boost public confidence in this vital part of nuclear technology.