低能中子在锆中产生的辐照损伤的计算机模拟研究

以GEANT4为基础采用蒙特卡罗方法对能量为1 MeV的中子在锆 材料中的输运过程进行了模拟分析. 首先计算得出: 反冲核的能量主要分布在1 keV和15 keV之间, 中子和靶核发生两次弹性碰撞的平均空间距离为29.47 mm. 由于中子和靶核在发生连续两次弹性碰撞过程中产生的两个反冲核能量较低, 它们的空间距离又比较大, 由此可以推测出: 由初级离位原子产生的后续级联碰撞可以看做是一系列独立的子级联碰撞过程, 同时也计算了中子在靶材的不同深度区域内产生的反冲核数目和平均能量. 其次, 利用蒙卡方法计算得到的结果, 采用分子动力学方法, 分别计算了五种不同能量下的初级离位原子产生的级联碰撞情况, 给出了初级离位原子的能量与其产生的次级离位原子数目之间的关系以 及不同能量下的初级离位原子产生的损伤区域范围等情况, 通过蒙特卡罗方法和分子动力学方法的结合, 给出了能量为1 MeV的中子在锆材料中产生的初级辐照损伤分布图像. 关键词： 辐照损伤 级联碰撞 蒙特卡洛模拟 分子动力学     

SiC/C界面辐照性能的分子动力学研究

本文通过分子动力学模拟的方法,研究了5种含不同空间结构的SiC/C界面的材料受辐照后的缺陷分布随时间以及PKA位置的变化关系,并与单质SiC中缺陷分布情况进行对比.利用径向分布函数分析了辐照对界面原子排列情况的影响.研究结果表明,SiC/C界面的抗辐照能力明显低于SiC内部,不同的空间结构对界面缺陷数量存在一定影响.由径向分布函数推得界面区域石墨原子密度高则界面原子排列情况受辐照影响越大.     

利用HIRFL高能重离子束的核能材料辐照损伤研究

载能重离子与高能中子在材料中能够产生相似的级联碰撞损伤,加之重离子具有大的离位损伤截面和在材料样品中低的感生放射性,载能重离子束成为模拟先进核能装置内部结构材料辐照损伤的重要手段。HIRFL能区的重离子在结构材料中的射程一般远大于晶粒尺寸,因此能够产生材料体损伤,借助小样品技术可以获得材料力学性能变化（尤其辐照脆化）的有用信息,为探讨材料辐照损伤微结构和宏观力学性能变化的关联提供了重要条件。本文简要介绍了近年来我们基于HIRFL高能离子束开展的聚变堆候选材料辐照损伤的研究,包括低活化钢的辐照脆化行为、氧化物弥散强化（ODS）铁素体钢的结构优化对于抗辐照性能的影响、不同载能粒子辐照条件下铁素体/马氏体钢的辐照肿胀数据的关联,以及高能重离子辐照的钨材料中氢同位素的滞留行为。研究表明,结合特殊的测试技术及数据分析方法,高能重离子可作为核能结构材料辐照损伤研究及评估的有效手段。Because of the similarity in cascade damage structure in materials produced by energetic heavy ions and by fast neutrons, and the high displacement rate and low induced radioactivity of samples by heavy ions, heavy ion beam becomes an important tool to simulate radiation damage by energetic neutrons in materials in advanced nuclear energy systems. The ranges of heavy ions provided by HIRFL (Heavy Ion Research Facility in Lanzhou) are generally much larger than the mean dimensions of grains in alloys candidate to advanced nuclear reactors, and is capable of producing radiation damage in bulk scale. It therefore makes possible the evaluation of change of mechanical properties including the radiation induced embrittlement from the irradiated specimens by using miniaturized specimen techniques. In the present paper, we provide an introduction of our recent studies of radiation damage of materials candidate to future fusion reactors by utilizing heavy ion beams in HIRFL.The studies include issues as follows:ductility loss of RAFM steels causes by high-energy Ne ions, impact of oxide dispersoids on the radiation resistance of ODS ferritic steels, correlation of void swelling of ferritic/martensitic steels under different particle irradiation, and behavior of deuterium retention in tungsten under irradiation with high-energy heavy ions. The results show that high-energy heavy ions can be used as a tool to efficiently investigate or evaluate radiation damage in structure materials if combined with some special test techniques and data analysis.     

What does the potential energy landscape tell us about the dynamics of supercooled liquids and glasses?

For a model glass former we demonstrate via computer simulations how macroscopic dynamic quantities can be inferred from a potential energy landscape (PEL) analysis. The essential step is to consider whole superstructures of many PEL minima, called metabasins, rather than single minima. We show that two types of metabasins exist: some allowing for quasifree motion on the PEL (liquidlike), and the others acting as traps (solidlike). The activated, multistep escapes from the latter metabasins are found to dictate the slowing down of dynamics upon cooling over a much broader temperature range than is currently assumed.     

单元素靶粒子位移损伤计算方法及有效模式分析

通过SRIM程序的快速损伤计算与全级联计算两种常用模式,对单元素靶材料进行粒子辐照模拟计算,分别利用基于损伤能量间接计算移位数的NRT位移模型方法和直接通过输出文件读取的方法获得移位数,并对数据进行相应的处理及分析对比,结果表明:对于单元素靶来说,在SRIM快速损伤和全级联两种计算模式下,利用NRT位移模型数值计算得到的移位数基本一致,都可以用于进一步计算得到可靠的位移损伤剂量(dpa);而通过SRIM两种模式下的输出文件数据直接获得的移位数则有两倍左右的差异,要想得到相对可靠的dpa相关参数,需要根据不同辐照情况选取合适的计算模式。     

Atomistic simulations to characterize the influence of applied strain and PKA energy on radiation damage evolution in pure aluminum

Knowledge of defects generation, their mobility, growth rate, and spatial distribution is the cornerstone for understanding the surface and structural evolution of a material used under irradiation conditions. In this study, molecular dynamics simulations were used to investigate the coupled effect of primary knock-on atom (PKA) energy and applied strain (uniaxial and hydrostatic) fields on primary radiation damage evolution in pure aluminum. Cascade damage simulations were carried out for PKA energy ranging between 1 and 20 keV and for applied strain values ranging between ?2% and 2% at the fixed temperature of 300 K. Simulation results showed that as the atomic displacement cascade proceeds under uniaxial and hydrostatic strains, the peak and surviving number of Frenkel point defects increases with increasing tension; however, these increments were more prominent under larger volume changing deformations (hydrostatic strain). The percentage fraction of point defects that aggregate into clusters increases under tension conditions; compared to the reference conditions with no strain, these increases are around 13% and 7% for interstitials and vacancies, respectively (under 2% uniaxial strain), and 19% and 11% for interstitials and vacancies, respectively (under 2% hydrostatic strain). Clusters formed of vacancies and interstitials were both larger under tensile strain conditions, with increases in both the average and maximum cluster sizes. The rate of increase/decrease in the number of Frenkel pairs, their clustering, and their size distributions under expansion/compression strain conditions were higher for higher PKA energies. Overall, the present results suggest that strain effects should be considered carefully in radiation damage environments, specifically for conditions of low temperature and high radiation energy. Compressive strain conditions could be beneficial for materials used in nuclear reactor power systems.     

A positron beam Doppler broadening analysis of formation and recovery of defects produced by ion irradiation in Fe‒C‒Cu alloys

Mechanisms of radiation embrittlement of reactor pressure vessel steels remain to be fully understood, particularly the nature of so-called ‘matrix defects’. One possible mechanism is vacancy cluster formation, probably assisted by cascade damage. In order to investigate the effect of copper on the formation and annealing processes of vacancy clusters, ion-irradiated Fe?C and Fe?C?Cu were investigated using a variable energy positron beam. Doppler broadening analysis revealed that vacancy-type defects are produced by ion irradiation and that copper addition reduces the open volume of the defects. Post irradiation annealing suggested the vacancy clusters do not have a substantial role in irradiation hardening.     

Dynamic Crossover in Metallic Glass Nanoparticles

We report the dynamic crossover behavior in metallic glass nanoparticles(MGNs)with the size reduction based on the extensive molecular dynamics(MD)simulations combined with the activation-relaxation technique(ART).The fragile-to-strong transition of dynamics can be achieved by just modulating the characteristic size of MGNs.It can be attributed to the abnormal fast surface dynamics enhanced by the surface curvature.By determining the potential energy surface,we reveal the hierarchy-to-flat transition of potential energy landscape(PEL)in MGNs,and demonstrate the intrinsic flat potential landscape feature of the MGN with size smaller than a critical size.Our results provide an important piece of the puzzle about the size-modulated potential energy landscape and shed some lights on the unique properties of MGs in nanoscale.     

Simulating high energy cascades in metals

Abstract

The processes of radiation damage, from initial defect production to microstructure evolution, occur over a wide spectrum of time and size scales. An understanding of the fundamental aspects of these processes requires a spectrum of theoretical models, each applicable in its own time and distance scales. As elements of this multi-model approach, molecular dynamics and binary collision simulations play complementary roles in the characterization of the primary damage state of high energy collision cascades. Molecular dynamics is needed to describe the individual point defects in the primary damage state with the requisite physical reality. The binary collision approximation is needed to model the gross structure of statistically significant numbers of high energy cascades. Information provided by both models is needed for connecting the defect production in the primary damage state with the appropriate models of defect diffusion and interaction describing the microstructure evolution. Results of binary collision simulations of high energy cascade morphology are reviewed. The energy dependence of freely migrating defect fractions calculated in recent molecular dynamics simulations are compared to results obtained much earlier with a binary collision/annealing simulation approach. The favorable agreement demonstrates the viability of the multi-model approach to defect production in high energy cascades.     

微束技术在放射生物学中的应用

微束装置可以为生命科学研究提供微米定位、剂量特定的电离辐射,在生物体内的电离辐射靶物质及其敏感度、靶物质的损伤及修复机制研究中具有独特的作用。概述了生物微束装置和实验技术的发展及其在低剂量辐射效应、旁观者效应、信号传导研究中的主要应用;介绍了中国科学院近代物理研究所（IMP）重离子微束装置,该装置可以提供能量7~ 80 MeV/u、传能线密度为30~ 3000 keV/μm的重离子微束,实现了活细胞辐照和在线观察、小鼠定位辐照的实验技术;利用IMP微束装置在重离子诱导旁效应实验、小鼠下丘脑重离子辐照效应和DNA损伤快速修复动态等方面取得了一些实验成果。The microbeam facility can provide micrometer scale localized and predefined ionizing radiation in the life science study, and the microbeam techniques play a unique role in determining the target substances of ionizing radiation, as well as in the study of radiation sensitivity, mechanisms of radiation damage response and repair. This paper summarizes the technical developments of biological microbeam facilities and their applications in the studies of low-dose radiation effect, bystander effect and cellular signaling. This paper also introduces the recent developments at the heavy-ion microbeam facility in the Institute of Modern Physics (IMP), which can provide heavy ion microbeam irradiation with energy of 7~80 MeV/u and LET of 30~3000 keV/μm. The facility can perform radiobiological irradiation and online investigation in living cells and mice, including bystander effect study, sleeping system influence after irradiation to mice hypothalamus and the recruitment dynamics of XRCC1 protein.     

In situ investigation of synchrotron radiation damage effect of ancient paintings by time-resolved ED-XAS and IR combined techniques

Advanced synchrotron radiation light is a powerful tool for archaeometry research. However, its applications to precious cultural relics, especially for color painting, have been hindered to some degree due to potential X-ray radiation damage. Compared to inorganic mineral pigments, organic binders in the painting are easier to be damaged by synchrotron radiation X-ray beam. The radiation damage effect of two typical painting samples, pure rabbit skin glue and the mixed sample of rabbit skin glue and zinc white, has been investigated by in situ time-resolved ED-XAS and IR combined techniques. The results show that the radiation damage effect of pure rabbit skin glue is more serious at low X-ray energy (7775 eV). The radiation damage effect of the mixed sample increases significantly due to more X-ray absorption by inorganic pigments. Furthermore, the radiation damage is more serious at the energy near Zn K-edge and is somewhat slight at higher energy (13,054 eV). These damages are more obvious from the point of view of protein secondary structures. The irradiation damage effects increase more rapidly at the beginning and are not linear with the irradiating time. The results indicate that synchrotron radiation damage can be reduced effectively by using X-ray energy far away from the X-ray absorption edge of the major element in the pigments during XRF, XRD and CT experiments, or by using time-resolved techniques such as QXAFS and ED-XAS during XAFS experiments.     

Molecular dynamics studies of displacement cascades in the uranium dioxide matrix

In the context of studies on long-time storage of irradiated spent fuel, molecular dynamics simulations have been carried out in order to understand the physical phenomena, on the atomic scale, linked to modifications and damage that the uranium dioxide structure undergoes during α-decay irradiation in repository conditions. Simulations of atomic displacement cascades over an energy range from 1 to 20?keV for the initial primary knock-on atom (PKA) do not show any amorphization of the structure in agreement with what has been found experimentally, and there is very little correlation between the initial orientation of the PKA and the cascade morphology. The number of Frenkel pairs, as a function of the initial energy of the PKA, exhibits a power-law behaviour with an exponent of 0.9 which is contrary to the theoretical linear Norgett–Robinson–Torrens law. Finally, for both species the vacancies have a tendency to aggregate and cluster near the core of the cascade while interstitial atoms are preferentially located at the periphery of the branches corresponding to subcascades.     

Two waveguide layers in lithium niobate crystal formed by swift heavy Kr ion irradiation

We report the formation of two waveguide layers in a lithium niobate crystal by irradiation with swift heavy Kr ions with high(Ge V) energies and ultralow fluences. The micro-Raman spectra are measured at different depths in the irradiated layer and show that the high electronic energy loss can cause lattice damage along the ion trajectory, while the nuclear energy loss causes damage at the end of the ion track. Two waveguide layers are formed by confinement with two barriers associated with decreases in the refractive index that are caused by electronic and nuclear energy losses, respectively.     

Some Analyses of Radiation Effects on PNP Silicon Devices

Nuclear irradiation of pnp junctions shows a pronounced change on their output electrical characteristics. Theoretical analysis, using computer programming (TRANSRAD), shows that exposing silicon transistors to nuclear radiation (neutrons, protons, electrons and gamma-rays) causes the devices to lose most of their forward gain factor. For all the analyzed irradiation conditions both junction leakage current and breakdown voltage are shown to increase pronouncely. The damage effect is found to be function of radiation fluence and energy.     

Twister quintessence scenario

We study generic solutions in a non-minimally coupled to gravity scalar field cosmology. It is shown that dynamics for both canonical and phantoms scalar fields with the potential can be reduced to the dynamical system from which the exact forms for an equation of the state parameter can be derived. We have found the stationary solutions of the system and discussed their stability. Within the large class of admissible solutions we have found a non-degenerate critical points and we pointed out multiple attractor type of trajectory travelling in neighborhood of three critical points at which we have the radiation dominating universe, the barotropic matter dominating state and finally the de Sitter attractor. We have demonstrated the stability of this trajectory which we call the twister solution. Discovered evolutional path is only realized if there exist the non-minimal coupling constant. We have found simple duality relations between twister solutions in phantom and canonical scalar fields in the radiation domination phase. For the twister trajectory we have found an oscillating regime of approaching the de Sitter attractor.     

氢气浸泡辐照加速方法在3DG111器件上的应用及辐射损伤机理分析

本文以~(60)Co为辐照源,针对3DG111型晶体管,利用半导体参数分析仪和深能级缺陷瞬态谱仪,研究高/低剂量率和有/无氢气浸泡条件下,电性能和深能级缺陷的演化规律.试验结果表明,与高剂量率辐照相比,低剂量率辐照条件下,3DG111型晶体管的电流增益退化更加严重,这说明该器件出现了明显的低剂量率增强效应;无论是高剂量率还是低剂量率辐照条件下,3DG111晶体管的辐射损伤缺陷均是氧化物正电荷和界面态陷阱,并且低剂量率条件下,缺陷能级较深;氢气浸泡后在高剂量率辐照条件下,与未进行氢气处理的器件相比,辐射损伤程度明显加剧,且与低剂量率辐照条件下器件的损伤程度相同,缺陷数量、种类及能级也相同.因此,氢气浸泡处理可以作为低剂量率辐射损伤增强效应加速评估方法的有效手段.     

Radiation-stimulated diffusion in solids

Irradiation of solids produces a microscopic nonequilibrium state in which the vibrational energy distribution function of the atoms deviates from the thermodynamically equilibrium function. Expressions are obtained for the nonequilibrium distribution function and for the frequencies of activational transitions of atoms out of a potential well. It is shown that the radiation stimulation of diffusion processes involves a deviation of the temperature dependences of the frequencies of transitions of the atoms out of positions of equilibrium from the Arrhenius law. Under subthreshold irradiation conditions the rate of diffusion processes is higher for atoms whose vibrations thermalize over long times and depends linearly on the irradiation intensity. Under above-threshold irradiation conditions the characteristics of cascade regions in solids — their sizes and the vibrational excitation energy of the atoms — can be determined by comparing the computed and experimental temperature dependences of the diffusion coefficient. Zh. Tekh. Fiz. 68, 67–72 (August 1998)     

Radiation-induced robust oscillation [2mm]and non-Gaussian fluctuation

There have been many recent studies devoted to the consequences of stochasticity in protein circuitry. Stress conditions, including DNA damage, hypoxia, heat shock, nutrient deprivation, and oncogene activation, can result in the activation and accumulation of p53. Several experimental studies show that oscillations can be induced by DNA damage following nuclear irradiation. To explore the underlying dynamical features and the role of stochasticity, we discuss the oscillatory dynamics in the well-studied regulatory network motif. The fluctuations around the fixed point of a delayed system are Gaussian in the limit of sufficiently weak delayed feedback, and remain Gaussian along a limit cycle when viewed tangential to the trajectory. The experimental results are recapitulated in this study. We illustrate several features of the p53 activities, which are robust when the parameters change. Furthermore, the distribution in protein abundance can be characterized by its non-Gaussian nature.     

Monte Carlo simulation of radiation damage produced in iron and vanadium by primary knock on atom ‘PKA’

Atomic scale simulation of radiation damage of pure iron and vanadium has been studied using the JA-IPU code based on Monte Carlo simulation. In response to gamma, neutron and any charged particle irradiation, energetic atoms knocked off their lattice position also generate atomic cascades inside the material besides the projectiles. The atomic cascade initiated by the primary knock on atoms (PKAs) of energy in the range 0–50?keV have been simulated in case of iron and vanadium metals. More realistic energy segregation has been achieved by incorporating electronic energy loss (EEL) along with nuclear stopping in the code. It is revealed that the effect of EEL is definite and different at low PKA energy as compared with high energy. The flip over energy is ～8?keV in iron and ～20?keV in the case of vanadium. This difference is found to be more in the case of the displacements than in the case of the defects. Cascade efficiency of vanadium calculated from the JA-IPU code has also been compared with the molecular dynamic simulation and found to be nearly the same.