锆合金中空位和溶质铜原子对刃型位错的钉扎效果  

Pinning Effects of Vacancies and Copper Solute Atoms on Edge Dislocations in Zirconium Alloys

作　　者：谢荣轩 许传龙 范海冬 田晓宝 蒋文涛 王清远[1] XIE Rongxuan;XU Chuanlong;FAN Haidong;TIAN Xiaobao;JIANG Wentao;WANG Qingyuan(Department of Mechanics,Sichuan University,Chengdu 610065,China)

机构地区：[1]四川大学力学系,四川成都610065

出　　处：《宁夏大学学报(自然科学版中英文)》2025年第1期34-39,共6页Journal of Ningxia University(Natural Science Edition)

基　　金：国家自然科学基金资助项目(12232008)。

摘　　要：为探究Cu元素对Zr合金耐辐照性能的影响,运用分子动力学方法研究了空位和置换型溶质铜原子对刃型位错的钉扎效果.首先,结合能计算结果表明,空位与周围的溶质Cu原子之间在大部分区域表现出吸引力.与刃型位错的相互作用结果表明,溶质Cu原子和空位在压缩层的钉扎效果比在拉伸层的钉扎效果更强.但当Cu原子和空位同时存在时,两者的钉扎力小于两者的单独钉扎力之和,即空位与溶质Cu原子的相互作用削弱了对刃型位错的钉扎力.通过计算溶质Cu原子和空位与位错的结合能,发现溶质Cu原子和空位的相互作用影响了其与位错的结合能,进而改变了钉扎力的大小.本文的结论有助于理解辐照Zr合金的力学性能和微结构演化.In order to explore the effect of copper on the irradiation resistance of zirconium alloys,the pinning effects of vacancies and substitutional copper solute atoms on edge dislocations was studied in this paper.First,the binding energy results show that a vacancy and surrounding copper solute atom exhibit an attractive force in most regions.The interaction results indicate that the pinning effect of the copper solute atom on the compression layer of edge dislocations is stronger than that of the vacancy.However,when both copper atoms and vacancies are present,the overall pinning force is less than the sum of their individual pinning forces,suggesting that the interaction between the vacancy and the copper solute atom weakens the pinning effect on edge dislocations.The conclusions of this paper contribute to a better understanding of the mechanical properties and microstructural evolution of irradiated zirconium alloys.

关 键 词：刃型位错 锆合金 钉孔效果 分子动力学 空位 溶质Cu原子 

分 类 号：TU43[建筑科学—岩土工程] O344[建筑科学—土工工程]