Subjects: Materials Science >> Materials Science (General) submitted time 2022-06-20
Li, Xiangyan
Li, Xiaolin
Zhang, Yange
Xu, Yichun
Wu, Xuebang
Xie, Zhuoming
Wang, Xianping
Pan, Bicai
Liu, Changsong
Fang, Qianfeng
Chen, Junling
Luo, Guangnan
Wang, Zhiguang
Abstract：
The behavior of nano-voids composed of vacancies (Vs) at grain boundaries (GBs) is fundamental to the design of the radiation tolerance of poly-crystalline metals (PCs) via GB engineering. In this study, based on differential evolution, a framework for determining the stable structure of GB nano-voids is developed. Combining the framework with multiscale simulations, we elucidate the vacancy-accumulation and GB void
formation mechanism under irradiation. A GB-structure dependent picture is revealed. At special coincidence-site-lattice (CSL) GBs of Ʃ5(310) and Ʃ5(210) with a medium V-GB binding energy, the V could be reemitted from the GB and also has driving force to be clustered at the GB, developing particularly stable V-clusters from a linear configuration to a platelet and finally to three-dimensional void that has large strain fields in iron with small bulk modulus and a bulk-void alike structure in the GB with large bulk modulus. A group of vacancies reconstruct their positions during the growth. The ripening is also mediated by the mobility of small V-clusters in addition to free Vs. General high-angle and low-angle GBs trap Vs efficiently, where V-clusters only align one-dimensionally or hardly nucleate. Based on the bonding among the vacancies and their neighboring atoms of a nano-void, we propose a high-accuracy predictive linear energetic model applied to the nano-void both at the iron/molybdenum/tungsten GBs and in the grain interior. The model captures the anisotropic feature of a nano-void and reproduces the oscillated vacancy energy level near a nano-void, showing distinct advantages over conventional continuum model and Wulff construction based energy model. Finally, the collective behavior of multiple GBs plays a role in the GB void formation. The present work offers fundamental mechanistic insights to GB nano-void formation and growth and sets a key step towards GB-void prevention in PCs by reducing the fraction of special CSL-GBs.
Peer Review Status:
Awaiting Review
Subjects: Materials Science >> Materials Science (General) submitted time 2016-11-15 Cooperative journals: 《金属学报》
Abstract：加速器驱动次临界ADS（Accelerator Driven Subcritical system）系统由加速器、散裂靶、反应堆三部分组成，被认为是安全处理核废料最具前景的技术方案。其中，散裂靶用结构材料需要同时具有耐高温、抗辐照、抗液态金属腐蚀等性能。针对这一挑战研发了新型核用马氏体耐热钢－SIMP钢。通过制衡9-12Cr%马氏体耐热钢中C、Cr、Si等重要元素含量对耐高温、抗辐照、抗液态金属腐蚀性能的影响，获得了SIMP钢优化的化学成分，极好地平衡了SIMP钢耐高温、抗辐照、抗液态金属腐蚀三方面性能。以1吨级和5吨级SIMP钢为实验材料的各项性能测试结果表明，SIMP钢是ADS系统中散裂靶的首选结构材料。
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