乏燃料贮运用抗辐照铁基非晶合金的形成机理

项目名称： 乏燃料贮运用抗辐照铁基非晶合金的形成机理

项目编号： No.51271018

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 一般工业技术

项目作者： 惠希东

作者单位： 北京科技大学

项目金额： 80万元

中文摘要： 我国未来将有多座核电站建成和投入运营，产生的乏燃料会越来越多，因此急需发展高性能乏燃料贮运材料以保证人类和生态安全。项目以高抗辐照能力Fe基非晶合金为对象，以超音速雾化制备过程为技术原型，利用第一性原理和分子动力学计算、同步辐射测量以及重离子轰击等方法，系统研究高B含量Fe基非晶合金中元素本征特性和局域有序结构与抗辐照能力关系，以及辐照缺陷的产生和演变过程，揭示非晶合金抗辐照性能的本质。通过对非晶合金局域有序结构的解析，及内能、比热和自由能等热力学参数的测定，提出高B含量Fe基非晶合金的形成理论。基于快速凝固条件下非晶合金传热传质和凝固行为的研究，建立非晶合金超音速雾化制备工艺理论基础。根据辐照和腐蚀作用下Fe基非晶合金结构和性能变化，阐明其辐照失效机理。项目完成后，将建立以抗辐照效应-非晶形成能力-快速凝固制备基础为主线的非晶形成理论体系，为该非晶合金在乏燃料贮运材料中的应用奠定基础。

中文关键词： Fe基块体非晶合金；非晶涂层；耐腐蚀性能；力学性能；重离子辐照

英文摘要： With the increasing numbers of nuclear power plants are built and put into operation, more and more spent nuclear fuels are produced. Therefore it is imperious to develop high performance material for storage and transportation of these spent nuclear fuels to keep the health of human being and the ecological safty. This propgram is proposed to focus on the the nature of the radiation resistance and the formation mechanism of the Fe-base amorphous alloys. In this program, we chose the supersonic atomization equipment as the technological protype. By using the ab initio molecular dynamics and empirial molecular dynamics calculations, in situ synchrotron radiation technology as well as heavy ions irradiation simulations, the relation among the the intrinsic characteristics of elements, local ordering and radiation resistance are studied. The nucleation and evolution of defects under irradiation conditions for the high boron content Fe-base amorphous alloys would be investigated systematically. By analyzing the local order of amorphous alloys and measuring the thermodynamical properties including the internal energy, heat capacity and free energy, the formation theory of high boron contaning Fe-based amorphous alloys is proposed. The technological basis for the preparation of supersonic atomization is established by

英文关键词： Fe-based bulk metallic glasses；amorphous coating；corrosion resistance；mechanical properties；heavy ion irradiation