电子辐照条件下高纯铁中位错环演化的多尺度模拟

辐照诱导材料微观结构演化导致的材料力学性能降级或尺寸不稳定性是限制反应堆安全与经济性的关键因素之一。本文基于速率理论建立了辐照诱导材料微观结构演化的物理模型,并开发了模拟程序Radieff。采用分子动力学计算了高纯铁中缺陷的形成能、结合能、迁移能以及间隙原子位错环的构型,在此基础上模拟了电子辐照诱导高纯铁内位错环的演化过程,并与实验结果进行了对比。基于分子动力学的计算结果表明,当间隙原子团簇包含3个间隙原子时,团簇的排列方式为〈110〉构型,间隙原子团簇包含4个以上间隙原子时,团簇排列方式变为〈111〉构型。此外基于Radieff研究了400~600K温度范围内,损伤速率为1.5×10-4 dpa/s电子辐照条件下,位错密度对位错环演化的影响,位错密度对位错环数密度及其平均尺寸的影响取决于位错以及间隙原子团簇对间隙原子的阱强度;在464K和550K温度下辐照,位错环数密度及其平均尺寸分别在位错密度增加到1011 cm-2和1010 cm-2后急剧减小,这是由于此时位错对间隙原子的阱强度会大于间隙原子团簇对间隙原子的阱强度。     

加速器联机装置运行状况

2008年武汉大学加速器联机系统初步建成,200 kV离子注入机至透射电镜束线进行了运行调试,开展了气体离子注入单晶Si、GaAs、Ag纳米晶和超临界反应堆材料(C276和6XN)的原位结构研究。结果表明,样品在注入至一定剂量时发生明显多晶和非晶化,单晶Si出现非晶化的临界剂量在10~(14) cm~(-2)。C276材料经1×10~(15)cm~(-2)的Ar离子辐照后,产生尺寸3-12 nm的位错环,其密度随剂量提高而增大,至5×10~(15)cm~(-2)出现多晶,剂量超过3×10~(16) cm~(-2)出现非晶化。在加速器-电镜联机光路上安装在线RBS靶室对离子束辐照材料进行元素成分和晶格定位测试。靠近电镜端安装50 kV低能离子源,开展核材料中氦泡形成过程的原位观测。对RBS/C装置进行数字化改造,用Labview控制系统运行,目前可进行计算机控制的背散射沟道测试。     

C276合金的抗辐照性能研究

C276合金为包壳部件的候选材料之一，本文拟对其抗辐照性能进行研究。对C276合金进行质子及多束粒子辐照，利用纳米硬度仪、透射电镜、拉曼成像仪等研究了C276合金在辐照前后的试样。结果表明：在质子及多束粒子辐照下，辐照损伤区域发生C偏析和位错环硬化；在H或He单束辐照条件下，在35.0 μm或3.5 μm深度处，拉曼光谱中的碳峰相对强度较大且碳峰红移，引起此处的纳米硬度较其他深度处的高；试验得到的损伤峰对应的深度与模拟计算得到的吻合。可推知，C276合金在质子及多束粒子下的辐照硬化是辐照偏析及可能的位错环硬化综合作用的结果。     

C276合金质子辐照损伤模拟及活化分析

C276合金是先进核电站燃料元件包壳的候选材料之一。本工作采用TRIM程序分别计算10和20MeV质子辐照C276所产生的辐照损伤，比较分析能损、离位原子、DPA等参数分布。同时使用FISPACT-2007程序进行活化计算，对放射性活度、衰变余热及接触剂量率等参数进行了详细分析。结果表明：辐照损伤主要来自电子能损的贡献，高能质子与靶原子发生碰撞的几率较低。C276经同种能量质子辐照后，活化特性随着辐照时间的增长而增加。辐照时间相同时，高能质子会对材料产生更大的影响。本工作为后续的辐照损伤分子动力学模拟及计划开展的质子辐照实验提供支持。     

Ar+离子辐照对锆4合金耐腐蚀性能的影响

为了研究辐照损伤对锆4合金电化学耐腐蚀性能的影响,使用直线加速器产生单电荷载能Ar+,在液氮温度下辐照样品表面,产生缺陷.然后,测量辐照后锆4合金的电化学极化曲线,使用钝化电流密度作为评定腐蚀性能的指标,分析不同注量Ar+离子辐照对锆4合金钝化电流密度的影响.同时使用透射电子显微镜分析不同注量Ar+辐照下锆4合金损伤层的微观结构.实验结果表明在低离子注量范围内(＜3×1014/cm2),随着辐照量的增加钝化电流密度升高,耐腐蚀性能降低;在中等离子注量范围内(3×1014-1×1016/cm2),随着辐照量的增加钝化电流密度急速下降,耐腐蚀性能显著提高;在高离子注量范围内(1×1016-1×1017/cm2),随着辐照量的增加钝化电流密度又开始增加,耐腐蚀性能再次降低.最后,根据原子碰撞理论对实验结果进行了理论分析.     

辐照温度对钨材料表面微结构的影响

本文采用100 eV的He+对钨进行辐照实验,考察了辐照温度变化(室温-800°C)对钨材料的表面损伤作用。分别采用扫描电镜(Scanning Electron Microscope,SEM)、透射电镜(Transmission Electron Microscope,TEM)、导电原子力显微镜(Conductive Atomic Force Microscopy,CAFM)以及X射线衍射(X Ray Diffraction,XRD)技术对辐照后样品的微观形貌、内表面缺陷分布以及晶格结构进行了分析。结果表明,He+辐照后钨样品表面出现了纳米绒毛结构层,这种结构层组织间的间距及覆盖率都随辐照温度的增加而增加。纳米结构层会造成样品表面损伤,产生表面离域化,但不会引起钨晶相的改变。通过无损伤的CAFM检测技术证实了样品表面绒毛结构层的形成与样品内表面纳米尺寸He泡的形成有关。     

超深亚微米SOINMOSFET中子辐照效应数值模拟

考虑3种特征尺寸的超深亚微米SOINMOSFET的中子辐照效应。分析了中子位移辐照损伤机理,数值模拟了3种器件输出特性曲线随能量为1MeV的等效中子在不同辐照注量下的变化关系及中子辐照环境下器件工艺参数对超深亚微米SOINMOSFET的影响。数值模拟部分结果与反应堆中子辐照实验结果一致。     

Al_2O_3:C晶体辐射发光剂量特性的数值模拟

在医学放射治疗上可以利用Al2O3:C晶体产生的辐射发光(Radio-luminescence,RL)测量放射治疗的剂量率。本文采用双电子陷阱双复合中心动力学模型对Al2O3:C晶体的辐射发光剂量特性做了数值模拟,给出了β射线辐照Al2O3:C晶体过程中各能级上载流子和RL产生的动态过程,并首次数值模拟了F+中心浓度和高剂量辐照对RL的影响。模拟结果表明:β射线连续辐照Al2O3:C时其产生的RL强度由初始值达到平衡值,且初始值和平衡值都与剂量率成正比,随着Al2O3:C晶体中F+中心浓度的增加,RL强度增强,初始值和平衡值都增加,最后给出了高剂量辐照Al2O3:C晶体对RL的影响。文章中数值模拟的结果和先前实验结果相一致,同时模拟结果对Al2O3:C晶体在制备过程中如何提高RL强度从理论上指明了方向。     

加速器-电镜联机的离子光路及其调整方案

离子辐照引起的材料微结构变化是一个复杂的过程,用加速器-电镜联机装置可原位观察载能离子束辐照引起的材料微结构演变.武汉大学加速器-电镜联机装置由1台2×1.7 MV串列加速器、1台200 kV离子注入机和1台200 kV透射电镜组成,通过自行设计的传输系统实现联机.本文介绍联机装置的光路布局,给出了静电加速器离子动力学计算程序LEADS(linear and electrostatic accelerator dynamics simulation)优化计算的结果,提出了两种改进方案,并用LEADS对改造后的加速器-电镜联机中离子运动进行了计算.结果显示,调整现光路二单元四极透镜的同时,在200 kV注入机90°偏转磁铁至电镜之间增加1个二单元静电四极透镜,将提高该系统中离子束传输效率.     

ODS-Eurofer钢微观结构及辐照硬化研究

研究了ODS-Eurofer钢的微观结构及辐照硬化现象。首先用透射电子显微镜(TEM)观察了ODS-Eurofer钢的初始微观组织结构，发现基体中不仅存在几nm至几十nm的氧化物弥散颗粒，还存在具有壳 核结构的大尺寸(直径大于100 nm)颗粒，并观察到纳米颗粒对位错线的钉扎作用。随后用能量为5 MeV的Fe²⁺离子在300 ℃和500 ℃下辐照样品至25 dpa以模拟中子辐照，并用纳米压痕仪和TEM测试表征了辐照所致力学性能和微观结构的变化。结果表明，两种温度下辐照均引起硬度上升，500 ℃时由于辐照产生的点缺陷发生复合，导致硬化效应弱于300 ℃。用TEM观测辐照水平为25 dpa的损伤层发现有少量纳米尺寸位错环，这些位错环是辐照硬化的主要原因。ODS-Eurofer钢初始微观结构对辐照硬化有重要影响，其中晶界、纳米颗粒与基体界面、位错线等能捕获辐照过程中产生的点缺陷，从而抑制辐照位错环的生长。     

TEM investigation of irradiation damage in single crystal CeO2

In order to understand the evolution of radiation damage in oxide nuclear fuel, 150-1000 keV Kr ions were implanted into single crystal CeO₂, as a simulation of fluorite ceramic UO₂, while in situ transmission electron microscopy (TEM) observations were carried out. Two characteristic defect structures were investigated: dislocation/dislocation loops and nano-size gas bubbles.The growth behavior of defect clusters induced by 1 MeV Kr ions up to doses of 5 × 10¹⁵ ions/cm² were followed at 600 °C and 800 °C. TEM micrographs clearly show the development of defect structures: nucleation of dislocation loops, transformation to extended dislocation lines, and the formation of tangled dislocation networks. The difference in dislocation growth rates at 600 °C and 800 °C revealed the important role which Ce-vacancies play in the loop formation process. Bubble formation, studied through 150 keV Kr implantations at room temperature and 600 °C, might be influenced by either the mobility of metal-vacancies correlated with at threshold temperature or the limitation of gas solubility as a function of temperature.     

Microstructural evolution in nickel alloy C-276 after Ar ion irradiation

Irradiation damage in nickel alloy C-276 irradiated by 115 keV argon ions at room temperature with irradiation doses from 0.28 to 82.5 dpa has been investigated by transmission electron microscopy. Nano-scale black spot damage appeared at a dose higher than 0.83 dpa. Large interstitial-type dislocation loops were observed at the dose of 8.25 dpa. Both the density of dislocation loops and the density of network dislocations grew significantly with the increase of irradiation dose. However, the density of network dislocations declined at the dose of 27.5 dpa. But the total of dislocation density (density of dislocation lines plus density of dislocation loops) kept increasing and no signs of saturation were seen in the dose range explored. The results showed that the nickel alloy C-276 had good performance in delaying the development of black spots, dislocations and dislocation loops. However, original grains have formed into subgrains at the dose of 82.5 dpa, meaning that the grains in C-276 lost its structural integrity at doses higher than 82.5 dpa.     

非均匀形核对辐照诱导钨内微结构演化行为影响的团簇动力学模拟

金属钨(W)及其合金作为未来聚变堆最具应用前景的面向等离子体结构材料(PFMs),其服役性能直接影响聚变堆长期服役的安全性,辐照诱导W及其合金内微结构演化导致的辐照脆化现象始终是限制其工程应用的关键因素。本文基于分子动力学计算结果,进一步完善了辐照诱导材料微结构演化行为的团簇动力学模型,采用更加完备的物理模型描述材料内辐照缺陷的产生行为,并进一步探讨了W基体内辐照缺陷产生过程对微结构演化行为的影响。模拟结果表明,高能初始离位原子(PKA)诱发级联碰撞直接产生的缺陷团簇是W内位错环、空洞演化中最重要的形核机制;非均匀形核所产生的间隙团簇的扩散行为对位错环的长大行为有重要影响,会导致位错环尺寸分布中出现亚尖峰与台阶状形貌。     

Defect studies in ion irradiated AlGaN

Defects created in Al_0.4Ga_0.6N crystals by 320 keV Ar ion irradiation were studied using Rutherford Backscattering Spectroscopy/Channeling (RBS/C) and Transmission Electron Microscopy (TEM) techniques. One of the main aims of the work was to use a revised version of McChasy, a Monte-Carlo simulation code of backscattering spectra, for the analysis of experimental results obtained for a dislocation-containing crystal. TEM was used to get a better insight into dislocation and dislocation loop geometries in order to restrict the range of parameters used in simulations. RBS/C analysis was performed in a 1.5–3 MeV energy range to check if MC simulations correctly reproduce backscattering spectra at different energies.     

Xe~+离子辐照诱导国产T91及316Ti钢微结构变化研究

对国产T91及316Ti钢进行室温下200keV的Xe~+离子辐照,使用X射线衍射(XRD)、透射电镜(TEM)等检测方法研究不同损伤剂量下辐照对材料相的稳定性和微观结构变化的影响。研究结果表明:T91钢辐照后未发生明显相变,而316Ti发生了γ(FCC)→α(BCC)的马氏体相变,且随辐照损伤剂量的增加,α相含量增加,相变的主要驱动力为辐照离子在辐照层的聚集从而产生的剪切应力;T91钢中的M_(23)C_6颗粒随辐照损伤剂量的增加,非晶化越来越明显,主要是由于辐照粒子的轰击削弱了M_(23)C_6颗粒晶格的稳定性,晶格塌陷成为非晶状态;316Ti钢在较低辐照损伤剂量(4.6dpa)下出现黑斑结构,而在高辐照损伤剂量(37.1dpa)下黑斑结构进一步聚集形成位错环。     

Irradiation damage in 304 and 316 stainless steels: experimental investigation and modeling. Part I: Evolution of the microstructure

Irradiation damage in three austenitic stainless steels, SA 304L, CW 316 and CW Ti-modified 316, is investigated both experimentally and theoretically. The density and size of Frank loops after irradiation at 320 and 375 °C in experimental EBR II, BOR-60 and OSIRIS reactors for doses up to 40 dpa are characterized by TEM. The evolution of the initial dislocation network under irradiation is evaluated. A cluster dynamics model is proposed to account quantitatively for the experimental findings.     

Irradiation induced dislocation loop and its influence on the hardening behavior of Fe-Cr alloys by an Fe ion irradiation

Nano indentation analysis and transmission electron microscopy observation were performed to investigate a microstructural evolution and its influence on the hardening behavior in Fe-Cr alloys after an irradiation with 8 MeV Fe⁴⁺ ions at room temperature. Nano indentation analysis shows that an irradiation induced hardening is generated more considerably in the Fe-15Cr alloy than in the Fe-5Cr alloy by the ion irradiation. TEM observation reveals a significant population of the a₀<1 0 0> dislocation loops in the Fe-15Cr alloy and an agglomeration of the 1/2a₀<1 1 1> dislocation loops in the Fe-5Cr alloy. The results indicate that the a₀<1 0 0> dislocation loops will act as stronger obstacles to a dislocation motion than 1/2a₀<1 1 1> dislocation loops.     

TEM and EFTEM characterization of solution annealed 304L stainless steel irradiated in PHENIX,up to 36 dpa and at 390 °C

Imaging of solution-annealed 304L stainless steel irradiated in the PHENIX reactor, up to a dose of 36 displacements per atom (dpa) and at a temperature of 390 °C was performed by using conventional transmission electron microscopy (TEM) and energy-filtered transmission electron microscopy (EFTEM). TEM investigations revealed the presence of Frank loops, dislocation lines, cavities and intragranular precipitates of different crystallographic phases. EFTEM investigations clearly show the relative proportion of major chemical elements in precipitates and the relative spatial distribution of these precipitates around cavities. The spatial distribution of Frank loops, dislocation lines and cavities was found to be homogeneous whereas precipitates were found to be most heterogeneously dispersed.