bcc-Fe空位浓度对辐照损伤影响的分子动力学模拟.pdfVIP

bcc-Fe密位浓魔对辆照损伤影响的分子动力学模拟 15 bcc-Fe空位浓度对辐照损伤 影响的分子动力学模拟 Molecular Simulationof Dynamics Vacancy ConcentrationonIrradiationCascades Effectsinbcc—Fe Damage 王建伟1，尚新春1”，吕国才1 WANG Jian-weil，SHANGXin—chunz”，LUGuo-cail (1SchoolofMathematicsand ofScienceand Physics，UniversityTechnologyBeijing，Beijing NationalCenterforMaterialsService 100083，China) 100083，China；2 Safety，Beijing 籀要：孛子辍照弓|越的位移级联熊在金瀑孛产生各秘缺照。通过三缝分子动力学方法模拟了bcc-Fe在零嗣空伎浓度下 中子辐照的位移级联过程。模拟结果表明，在空位浓度0％和韧始碰撞原予能量5keV的情形下，位移级联过秘会出珑 置空位的存柱加速了级联过程中点缺陷的湮灭。迸一步的模拟指出，预置空位浓度越高，则点缺陷复合也就越快。这魃 结暴骞勘予搂述棱菠瘟壤缝搀钢豹某些檄褒失效规理。 关键词：中予辐照1分子动力学；象位浓度；位移级联；间隙原予团 孛匪转类母：0346。3fTGlll。9l文瓣标识瓣：A 文章编号：1001—4381《2011)10—0015—04 neutronirradiationonmetalmaterialscould variousdefectswhicharecaused Abstract：The generate of cascades．The cascadesneutronirradiationwithvarious con- bydisplacement displacement vacancy centrationsinbcc-Fesimulated molecular are three-dimensional method．Thesimulation by dynamics resultsshowthata numberofvacanciesandselfinterstitialatoms(SIAs)clusterswould large appear the for caseof concentrationand5keV knock-onatom numberof 0％vacancy primary energy。The defectreachedtO value1632after willdecrease andthenumberof point NF peak 0．5ps．It sequently value defect