预测本顿石中的放射性核素的分布系数和有效扩散系数:多输出神经网络模拟和扩散实验研究
Jiaxing Feng1, Xuewen Gao1, Ke Xu1
1Huzhou Key Laboratory of Environmental Functional Materials and Pollution Control, Huzhou University, Huzhou 313000, PR China.
Journal of hazardous materials
|March 9, 2025
概括
一个新的AI模型准确地预测了放射性废物存储库中的放射性核素扩散 (Kd) 和吸附 (De). 该框架通过使用生成和实验数据提供可靠的预测来增强安全评估.
科学领域:
- 地质化学和环境科学
- 人工智能和机器学习
- 核工程与安全 核工程与安全
背景情况:
- 准确预测放射性核素运输对于高水平放射性废物 (HLW) 仓库的安全评估至关重要.
- 分布系数 (Kd) 和有效扩散系数 (De) 是控制放射性核酸迁移的关键参数.
- 现有的模型往往需要大量的实验数据,可能无法有效地捕捉复杂的相互作用.
研究的目的:
- 开发一种新的,集成的人工神经网络 (ANN) 框架,同时预测Kd和De.
- 通过通过生成对立网络 (GAN) 生成的合成数据来增强数据集的预测能力.
- 通过可解释的人工智能技术,识别影响放射性核素运输的关键地质因素.
主要方法:
- 一个多输出ANN模型被设计用于同时预测Kd和De.
- 生成对抗网络 (GAN) 用于数据增强,创建伪实例以扩展训练数据集.
- 采用沙普利增量解释 (SHAP) 分析来解释模型预测并识别有影响力的特征.
主要成果:
- 该GAN-ANN模型实现了高预测准确度,R2值为Kd的0.98和De的0.97.
- 总孔隙性被确定为Kd和De的最重要的预测因素.
- 实验验证使用压缩本托尼特和I/S中的各种放射性核酸的透射扩散试验证实了该模型的强大的概括能力.
结论:
- 开发的GAN-ANN模型提供了一个强大而准确的工具,用于预测HLW存储库中的放射性核素吸附和扩散.
- 该研究证明了将GAN用于数据增强与ANN用于复杂地质科学应用中的多输出预测的有效性.
- 这些发现有助于建立更可靠的数据集和预测框架,大大有助于核废物处理的安全评估.
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