论文标题

吸收偏见:纳米晶体BCC金属辐射耐受性的理想描述

Absorption bias: An ideal descriptor for radiation tolerance of nanocrystalline BCC metals

论文作者

Wei, Liuming, Zhao, Zhe, Li, Yonggang, Zheng, Qirong, Zhang, Chuanguo, Li, Jingyu, Zhao, Gaofeng, Da, Bo, Zeng, Zhi

论文摘要

为了评估纳米晶(NC)材料的辐射耐受性,通过顺序多尺度建模框架研究了Fe和W作为典型的以身体为中心的立方(BCC)金属的损伤效应。提议理想的描述符,即吸收偏置(晶界(GB)的吸收能力与间隙(I)和空位(v))的吸收偏置表征,以表征具有不同晶粒尺寸的材料的辐射耐受性。低吸收偏见可通过增强I-V重组并最佳地调整其与GB吸收的竞争,从而促进缺陷。因此,较低的吸收偏置,NC BCC金属的较高抗辐照性能为。此外,通过全面考虑机械性能,热稳定性和抗辐射性,建议使用纳米晶体用于基于Fe的结构材料,但对于基于W的基于W的基于W的晶体,建议使用基于W的粗晶体。这项工作重新评估了NC材料的辐射耐药性,从而通过操纵谷物尺寸制定了设计核设备结构材料的新策略。

To evaluate the radiation tolerance of nanocrystalline (NC) materials, the damage effects of Fe and W as typical body-centered cubic (BCC) metals under uniform irradiation are studied by a sequential multi-scale modelling framework. An ideal descriptor, the absorption bias (the ratio of the absorption abilities of grain boundaries (GBs) to interstitials (I) and vacancies (V)), is proposed to characterize the radiation tolerance of materials with different grain sizes. Low absorption bias promotes defects annihilation through enhancing I-V recombination and optimally tuning its competition with GB absorption. Thus, the lower absorption bias, the higher anti-irradiation performance of NC BCC metals is. Furthermore, by comprehensively considering the mechanical property, thermal stability and radiation resistance, nano-crystals are recommended for Fe-based structural materials but coarse crystals for W-based plasma-facing materials. This work reevaluates the radiation resistance of NC materials, resulting in new strategies for designing structural materials of nuclear devices through manipulating grain sizes.

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