冲击条件下含纳米空洞的单晶铜的塌缩

利用分子动力学方法研究了单晶铜中不同大小的球形空洞在冲击波下的演化过程.模拟结果表明不同大小空洞的塌缩过程不同.模拟中冲击波由空洞左边扫向空洞右边.在较大尺寸的空洞塌缩过程中会产生系列的位错环.当空洞半径较小时,先在空洞的右侧形成位错环,当空洞半径增大到某一临界大小时,在空洞左右两侧同时产生位错环,当空洞半径较大时,先在空洞左侧形成位错环.当空洞左右两侧的位错环均形成以后,其右侧位错环前端的生长速度大于其左侧的.空洞半径增大,相应的位错环前端的生长速度变化不大.当空洞半径增大时,空洞中心指向位错源的矢量方 关键词： 纳米空洞 位错环 冲击波 塑性变形     

冲击条件下含纳米空洞的单晶铜的塌缩

利用分子动力学方法研究了单晶铜中不同大小的球形空洞在冲击波下的演化过程.模拟结果表明不同大小空洞的塌缩过程不同.模拟中冲击波由空洞左边扫向空洞右边.在较大尺寸的空洞塌缩过程中会产生系列的位错环.当空洞半径较小时，先在空洞的右侧形成位错环，当空洞半径增大到某一临界大小时，在空洞左右两侧同时产生位错环，当空洞半径较大时，先在空洞左侧形成位错环.当空洞左右两侧的位错环均形成以后，其右侧位错环前端的生长速度大于其左侧的.空洞半径增大，相应的位错环前端的生长速度变化不大.当空洞半径增大时，空洞中心指向位错源的矢量方     

面心立方铜晶体中空洞生长与贯通的尺寸效应

利用分子动力学方法模拟沿拉伸方向排布的两个空洞在单轴拉伸作用下的动力学行为.着重研究不同尺寸空洞对其拉伸贯通过程的影响.结果表明,不同尺度的空洞都是通过空洞表面发射位错环长大与贯通的.空洞在弹性阶段沿加载方向缓慢长大,在塑性阶段沿垂直方向生长后形成类八面体形状.随空洞尺寸的减小,临界屈服应力逐渐增大.当半径较大时,位错对称成核、迁移,空洞沿加载方向被拉长,演化过程相似;当半径较小时,位错不对称成核,空洞沿垂直方向被拉长.空洞生长分为弹性变形、独立长大、融合贯通和平稳生长四个阶段.独立生长阶段随尺寸的减小逐渐缩短甚至消失.     

氢离子辐照纯钒中形成的位错环

钒合金作为聚变堆候选材料, 其辐照损伤行为一直是关注的重点. 研究辐照时形成的位错环的性质, 其意义在于揭示纯钒中辐照空洞的长大机理. 这种机理表现为不同类型位错环对点缺陷吸收的偏压不同, 从而影响金属的辐照肿胀. 本文利用加速器对纯钒薄膜样品进行氢离子辐照, 然后, 利用透射电镜的inside-outside方法分析氢离子辐照所形成的位错环的类型. 结果表明, 在氢离子辐照纯钒中没有发现柏氏矢量b=<110>的位错环, 只有柏氏矢量b=1/2<111>和b=<110>的位错环, 这两种位错环的惯性面处于{110}-{112}之间. 能确定性质的位错环全部为间隙型位错环, 未发现空位型位错环.     

聚变材料钨辐照后退火形成的位错环特性及inside-outside衬度分析

对纯钨透射电镜薄膜样品在400℃进行了58 keV、1×10¹⁷ cm^-2(约0.1 dpa)的氘离子辐照,辐照后进行了900℃/1 h的退火处理.离子辐照产生了平均尺寸为(11.10±5.41)nm,体密度约为2.40×10²² m^-3的细小位错环组织,未观察到明显的空洞组织.辐照后退火造成了位错环尺寸的长大和体密度的下降,分别为(18.25±16.92) nm和1.19×10²² m^-3.通过透射电镜的衍射衬度分析,判断辐照后退火样品中的位错环主要为a/2<111>类型位错环.通过“一步法” inside-outside衬度分析判断位错环为间隙型位错环.辐照后退火还造成了较大位错环之间接触融合,形成不规则形状的大型位错环.此外,退火后样品中还观察到了尺寸为1—2 nm的细小空洞组织.     

有限温度下位错环的脱体现象

在FCC单晶铜中构造了滑移面为（111）,伯格矢量为b=［112］/6的圆形不完全位错环．采用分子动力学方法模拟了该位错环在0—350 K温度区间内的自收缩过程．模拟结果发现：零温度下,位错不能跨越Peierls-Nabarro势垒运动,迁移速度为0;50　K温度下,螺型和刃型位错具有基本相同的迁移速度;随温度增加,刃型位错具有较大迁移速度;温度较高时,位错核宽度进一步增加;小位错环周围的局部应力,引起4个脱体位错环;脱体位错环在原位错的应力作用下逐渐生长,原位错消失后,在自相 关键词： 单晶铜 位错环 分子动力学 位错源     

氦、氘对纯铁辐照缺陷的影响

在核聚变堆的辐照环境中, 核嬗变产物氢、氦对结构材料的抗辐照性能将产生很大的影响. 本实验采用离子注入和电子辐照模拟研究了氦和氘对具有体心立方结构的纯铁的影响. 采用离子加速器在室温分别对纯铁注入氦离子和氘离子, 经500℃时效1 h后在高压电镜下进行电子辐照.结果表明: 室温注氦和室温注氘的纯铁在500℃时效后分别形成间隙型位错环和空位型位错环. 在电子辐照下, 间隙型位错环吸收间隙原子而不断长大, 而空位型位错环吸收间隙原子不断缩小. 通过计算位错环的变化速率发现, 空位型位错环比间隙型位错环吸收了更多的间隙原子, 即室温注氘纯铁的位错偏压比室温注氦纯铁的偏压参量大, 这意味着相同实验条件下空位型位错环对辐照肿胀的贡献大于间隙型位错环对辐照肿胀的贡献. 利用氦-空位复合体和氘-空位复合体的结构, 分析了注氦和注氘后在纯铁中形成不同类型位错环的原因. 关键词： 氦 氘 辐照损伤 位错环     

硅中位错增殖的实验观察

用化学侵蚀法研究了在机械应力和热应力作用下硅中位错的增殖和非均匀成核。结果表明,在使位错增殖和成核作用上,热应力同机械应力是等效的。硅中小角晶界中的位错,原生孤立位错都能成为位错源;晶体内部的缺陷及表面蚀斑处的应力集中能够引起位错成核;硅中螺型位错能够通过交叉滑移机制发生增殖。对新生位错环空间分布的研究表明,Frank-Read机制可能是位错增殖的主要形式。位错能否发生增殖,主要决定于位错源所受分切应力的数值、晶体温度、位错本身的结构特点以及钉扎情况等。     

Fe-Cr合金辐照空洞微结构演化的相场法模拟

Fe-Cr合金作为包壳材料在高温高辐照强度等极端环境下服役,产生空位和间隙原子等辐照缺陷,辐照缺陷簇聚诱发空洞、位错环等缺陷团簇,引起辐照肿胀、晶格畸变,导致辐照硬化或软化致使材料失效.理解辐照缺陷簇聚和长大过程的组织演化,能更有效调控组织获得稳定服役性能.本文采用相场法研究Fe-Cr合金中空洞的演化,模型考虑了温度效应对点缺陷的影响以及空位和间隙的产生和复合.选择400—800 K温度区间、0—16 dpa辐照剂量范围的Fe-Cr体系为对象,研究在不同服役温度和辐照剂量下的空位扩散、复合和簇聚形成空洞的过程.在400—800 K温度区间,随着温度的升高,Fe-Cr合金空洞团簇形核率呈现出先升高后下降的趋势.考虑空位与间隙的重新组合受温度的影响可以很好地解释空洞率随温度变化时出现先升高后降低的现象.由于温度的变化将影响Fe-Cr合金中原子离位阀能,从而影响产生空位和间隙原子.同一温度下,空洞半径和空洞的体积分数随辐照剂量的增大而增大.辐照剂量的增大,级联碰撞反应加强,空位与间隙原子大量产生,高温下空位迅速的扩散聚集在Fe-Cr合金中将形成更多数量以及更大尺寸的空洞.     

氦泡在bcc钨中晶界处成核长大的分子动力学模拟

钨(W)是潜在的聚变堆面向等离子体材料.聚变反应中产生的氦(He)不溶于金属W,并在其中易聚集形成He泡,使W基体发生脆化,从而导致W基体的性能发生退化.在前人工作的基础上,本文采用分子动力学研究了He泡在单晶bcc-W中以及bcc-W中∑3[211](110)和∑9[110](411)晶界处He泡形核长大初期的演化过程.结果发现,晶界处He泡的长大机制和单晶W中有所不同.单晶W中He泡通过挤出位错环促进长大.而He泡在∑3[211](110)晶界处的长大机制为:首先挤出并发射少量自间隙W原子,而后挤出1/2⟨111⟩位错线,随后,该位错线会沿晶界面上[111]方向迁移出去;在∑9[110](411)晶界处,He泡在我们的模拟时间尺度范围内没有观察到W自间隙子的发射和位错的挤出.     

冲击加载下铝中氦泡和孔洞的塑性变形特征研究

通过分子动力学模拟研究了在相同冲击加载强度下单晶铝中氦泡和孔洞的塑性变形特征,结果发现氦泡和孔洞的塌缩是由发射剪切型位错环引起的,而没有观测到棱锥型位错环发射. 氦泡和孔洞周围的位错优先成核位置基本一致,但是氦泡周围发射的位错环数目比孔洞多,位错环发射速度明显比孔洞快. 且氦泡和孔洞被冲击波先扫过部分比后扫过部分发射位错困难. 通过滑移面上的分解应力分析发现,氦泡和孔洞周围塑性特征的差别是由于氦泡内压引起最大分解应力分布改变造成的. 氦泡和孔洞被冲击波先后扫过部分塑性不对称是因为冲击波扫过时引起形状变化, 关键词： 分子动力学 冲击波 氦泡 孔洞     

Microstructural analysis of neutron irradiated titanium and rhenium

The defect structure in α-titanium and rhenium irradiated with neutrons at 0.4T _m (T _m = absolute melting temperature) has been analyzed using transmission electron microscopy. In rhenium, the vacancies agglomerate into voids whereas in titanium, vacancy dislocation loops lying on the prism planes are the only vacancy type defects observed. In both metals, dislocation segments and network fragments are the main evidence of interstitial type defects. The presence of dislocation loops rather than voids in titanium irradiated at this temperature is an anamalous result when compared to results on other similarly irradiated pure metals. Possible explanations for the preferential formation of loops rather than voids in the titanium are discussed.     

Microstructure of high-pressure-synthesized diamonds under rapid quenching and electron irradiation

A type of synthetic diamond single crystal about 0.4–0.5 mm in dimension prepared under high pressure–high temperature (HPHT) in the presence of a FeNi molten catalyst was quenched from HPHT and irradiated with 300 keV electrons at room temperature. Transmission electron microscopy was employed to examine the microstructure of the diamond single crystal before and after electron irradiation. It was found that there exists a large amount of cellular interfaces in the quenched diamond sample, which indicates the growth condition of the diamond under HPHT. Hexagonal dislocation loops about several tens of nanometers in dimension were observed in the high-pressure-synthesized diamond single crystal before electron irradiation, which strongly suggests that a number of vacancies were quenched-in due to rapid quenching from high temperature at the end of diamond synthesis, and were aggregated in the synthetic diamond to form vacancy disks on the (111) plane, the collapse of such vacancy disks forming vacancy-type dislocation loops. After electron irradiation, it was found that defect clusters present as interstitial-character dislocation loops were formed in the electron-irradiated region of the diamond. The interstitial dislocation loops grow with increase of the irradiation time. The present study, in comparison to previous work on ion implantation on diamond, indicates that electron irradiation does not induce a phase transformation but produces interstitial dislocation loops due to the migration of interstitial atoms and vacancies. The result of the study directly indicates that interstitials and vacancies in diamond are mobile at room temperature under electron irradiation. Nitrogen, as the most important kind of impurity contained in the HPHT as-grown diamond, probably acts as nucleation of the interstitial loops. Received: 16 November 2001 / Accepted: 12 June 2002 / Published online: 17 December 2002 RID="*" ID="*"Corresponding author. E-mail: yinlw@sdu.edu.cn     

Evolution of dislocation loops in austenitic stainless steels implanted with high concentration of hydrogen

Abstract

It has been found that under certain conditions, hydrogen retention would be strongly enhanced in irradiated austenitic stainless steels. To investigate the effect of the retained hydrogen on the defect microstructure, AL-6XN stainless steel specimens were irradiated with low energy (100 keV) H₂⁺ so that high concentration of hydrogen was injected into the specimens while considerable displacement damage dose (up to 7 dpa) was also achieved. Irradiation induced dislocation loops and voids were characterised by transmission electron microscopy. For specimens irradiated to 7 dpa at 290 °C, dislocation loops with high number density were found and the void swelling was observed. At 380 °C, most of dislocation loops were unfaulted and tangled at 7 dpa, and the void swellings were observed at 5 dpa and above. Combining the data from low dose in previous work to high dose, four stages of dislocation loops evolution with hydrogen retention were suggested. Finally, molecular dynamics simulation was made to elucidate the division of large dislocation loops under irradiation.     

Point defect processes in neutron irradiated Ni,Fe–15Cr–16Ni and Ti-added modified SUS316SS

The defect structures in Ni, Fe–15Cr–16Ni and Ti-added modified SUS316SS (modified SUS316) were examined after neutron irradiation below 0.3 dpa by the Japan Materials Testing Reactor and Belgian Reactor 2 to compare their defect structural evolution. The growth behaviour of interstitial-type dislocation loops (I-loops), stacking fault tetrahedra (SFTs) and voids was found to be quite different among these specimens. I-loops developed at lower temperatures in Ni than in Fe–15Cr–16Ni and modified SUS316, and more swelling occurred in Ni than in Fe–15Cr–16Ni. Finally, there were no voids in modified SUS316. These results were analysed in terms of the I-loop energy. A large discrepancy was found between the analytical results and experimental observations for Ni and modified SUS316, which suggests the formation of unfaulted I-loops directly from collision cascades. The growth of SFTs was detected in Fe–15Cr–16Ni and modified SUS316, and can be explained by a change in the dislocation bias of SFTs resulting from the absorption of alloying elements.     

超临界水冷堆燃料包壳材料的辐照损伤研究进展

超临界水冷堆（SCWR）是第四代核电站的主力堆型之一,高温、高压、超临界水环境下的辐照损伤问题是其燃料包壳材料面临的最大挑战。SCWR燃料包壳候选材料主要包括锆合金、奥氏体不锈钢、铁素体/马氏体不锈钢、镍基合金、ODS合金五大类,奥氏体不锈钢是最有希望的候选材料。介绍了近年来在这个领域国际上的主要研究进展。作者所在团队也对多种SCWR的候选材料进行了辐照损伤研究,包括:镍基合金C-276和718、铁素体/马氏体钢P92、奥氏体不锈钢AL-6XN和HR3C。对AL-6XN的氢离子辐照实验发现,辐照产生的缺陷主要是间隙型位错环,伯格斯矢量为1/3<111>,在较高剂量（5～7 dpa）辐照下,出现空洞肿胀。在氢滞留的影响下,位错环有着独特的演化规律,总结提出了位错环的四阶段演化过程。The Supercritical Water-cooled Reactor (SCWR) is one of the prior Generation IV advanced reactors. Irradiation damage is one of the key issues of fuel cladding materials which will suffer serious environment, such as high temperature, high pressure, high irradiation and supercritical water. The candidate materials contain zirconium alloys, austenitic stainless steels, ferritic/martensitic stainless steels, Ni-base alloys and ODS alloys. Austenitic stainless steels are the most promising materials. This paper summarized the international researches on irradiation effects in fuel cladding materials for SCWR. The group of authors also has done many researches in this field, including nickel-base alloy C-276 and 718, ferritic/martensitic steel P92 and austenitic stainless steel AL-6XN and HR3C. In AL-6XN austenitic stainless steels irradiated by hydrogen ions, dislocation loops were the dominant irradiation defects. At higher irradiation dose (5～7 dpa), the voids were found. All the dislocation loops were confirmed to be 1/3<111> interstitial type dislocation loops, and four evolution stages of dislocation loops with hydrogen retention were suggested.     

强流脉冲电子束辐照诱发金属纯镍中的空位簇缺陷

利用强流脉冲电子束(high-current pulsed electron beam,HCPEB)技术对多晶纯Ni进行了辐照处理,采用透射电子显微镜详细分析了辐照诱发的缺陷结构.HCPEB辐照后,纯镍表层积聚了幅值极大的残余应力,沿{111}晶面形成了稠密的位错墙及孪晶结构,另外还形成了大量的包括位错圈、堆垛层错四面体(SFT)及孔洞在内的空位簇缺陷.SFT缺陷的数量远高于其他空位簇缺陷,其周围区域位错密度很低.孔洞缺陷主要出现在SFT密集区域.HCPEB瞬间的加热和冷却诱发的幅值极大的应力和极高的应变 关键词： 强流脉冲电子束 多晶纯Ni 空位簇缺陷 堆垛层错四面体     

冲击加载下孔洞贯通的微观机理研究

利用分子动力学方法计算模拟了沿〈100〉晶向冲击加载下单晶铜中双孔洞的贯通过程.发现孔洞周围发射剪切型位错环是孔洞塌缩和增长的原因.在拉伸阶段,孔洞首先分别独立增长,随后其周围塑性变形区开始交叠和相互作用,最后两个孔洞开始直接贯通.这种贯通模式和实验对延性材料中孔洞贯通过程的显微观察结果一致.对四种不同θ值（θ为两个孔洞中心连线与冲击加载方向之间的夹角）的模型分别进行了计算模拟,发现在相同的冲击加载强度下,θ＝0°和θ＝30°的孔洞之间没有相互贯通; 关键词： 纳米孔洞 分子动力学 冲击加载 贯通     

Effect of irradiation at low doses and incubation of voids within the rate theory approach

The evolution of defects in a material under irradiation is studied at low doses (∼5 dpa or less) using rate equations. It is shown that as a function of temperature at a critical valueT _c a transition occurs in the behaviour of the solutions of the rate equations. BelowT _c the voids show incubation effects. An expression is derived for the critical dislocation density at which the void growth starts. This is related to the trapped vacancy fraction ε in vacancy dislocation loops. AboveT _c the incubation effects are shown to be related to the gas production rate which becomes the rate controlling parameter in determining the evolution of the defects. A gas-bubble to void transition occurs at a critical void radius and expressions are derived for the critical void size and dose at which the transition appears. It is shown that closely related to this is the incubation dose for interstitial loops. Finally, these features are corroborated by actual numerical integration of the rate equations.     

The effect of phason defects on the radiation-induced swelling of quasicrystalline materials

The radiation-induced vacancy swelling of quasicrystals is considered. In quasicrystals, the dislocation kinetics involves the formation of phasons: vacancy- and interstitial-like localized topological defects. Phasons interact with radiation-induced point defects (PD; vacancies and interstitials) and influence the swelling behavior of quasicrystals. After absorption of vacancies, phasons of the interstitial type transform into phasons of the vacancy type and vice versa. In other words, phasons are the recombination centers of alternating polarity for PD. Assuming that (i) the production rate of phasons is proportional to the dislocation climbing rate and (ii) voids are the sinks for mobile phasons, the set of rate equations for PD and phasons is formulated and analyzed both analytically and numerically. It is shown that the swelling rate is lower in quasicrystals compared with crystals. Growth rates of loops and voids, as well as the swelling rate, strongly depend on the phason concentration which is controlled by phason diffusion to sinks.