论文标题

水槽强度的替代表示和晶体界面在辐射引起的气泡发展中的长期作用

Surrogate representation of sink strengths and the long-term role of crystalline interfaces in the development of irradiation-induced bubbles

论文作者

Luo, Jing, Xin, Yong, Zhou, Zhengcheng, Zhu, Yichao, Guo, Xu

论文摘要

本文介绍了通过机器学习表示的替代速率方程中基于分析性的水槽强度项的早期尝试。在这里,我们在多尺度建模的背景下强调了机器学习与规模分析的组合使用,通过该组合,可以从平均场外动力学中渐近地分解(准稳态)短距离单个下沉行为的部分微分方程的精细分辨率问题。因此,机器学习的训练是限制性的,也就是说,表达本地且已经确定的,但在分析上不可用的非线性功能关系和其他局部连续体现场数量之间的非线性功能关系。借助训练有素的模型,可以启用一个通过空白/气泡作为点缺陷式水槽所显示的偏置效果,并将结果与​​现有的情况进行比较。此外,通过局部平面速率方程式对晶体接口上的​​更快的扩散机制进行了区分,并且它们与散装扩散速率方程式的链接是通过跨接口的点缺陷浓度的导数跳跃来提出的。因此,可以研究结晶界面作为部分下沉和快速扩散通道的独特作用。方法论上,本治疗也适用于研究在辐照材料中观察到的长期沉淀行为的更复杂情况。

The present article addresses an early-stage attempt on replacing the analyticity-based sink strength terms in rate equations by surrogate models of machine learning representation. Here we emphasise, in the context of multiscale modelling, a combinative use of machine learning with scale analysis, through which a set of fine-resolution problems of partial differential equations describing the (quasi-steady) short-range individual sink behaviour can be asymptotically sorted out from the mean-field kinetics. Hence the training of machine learning is restrictively oriented, that is, to express the local and already identified, but analytically unavailable nonlinear functional relationships between the sink strengths and other local continuum field quantities. With the trained models, one is enabled to quantitatively investigate the biased effect shown by a void/bubble being a point defect sink, and the results are compared with existing ones over well-studied scenarios. Moreover, the faster diffusive mechanisms on crystalline interfaces are distinguishingly modelled by locally planar rate equations, and their linkages with rate equations for bulk diffusion are formulated through derivative jumps of point defect concentrations across the interfaces. Thus the distinctive role of crystalline interfaces as partial sinks and quick diffusive channels can be investigated. Methodologicalwise, the present treatment is also applicable for studying more complicated situation of long-term sink behaviour observed in irradiated materials.

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