Multi-scale modeling of irradiation effects in spallation neutron source materials

Changes in mechanical property of Ni under irradiation by 3 GeV protons were estimated by multi-scale modeling. The code consisted of four parts. The first part was based on the Particle and Heavy-Ion Transport code System (PHITS) code for nuclear reactions, and modeled the interactions between high energy protons and nuclei in the target. The second part covered atomic collisions by particles without nuclear reactions. Because the energy of the particles was high, subcascade analysis was employed. The direct formation of clusters and the number of mobile defects were estimated using molecular dynamics (MD) and kinetic Monte-Carlo (kMC) methods in each subcascade. The third part considered damage structural evolutions estimated by reaction kinetic analysis. The fourth part involved the estimation of mechanical property change using three-dimensional discrete dislocation dynamics (DDD). Using the above four part code, stress-strain curves for high energy proton irradiated Ni were obtained.     

Need for and requirements for a neutron irradiation facility for fusion materials testing

The construction and operation of an intense 14-MeV neutron source is essential for the development and eventual qualification of structural materials for a fusion reactor demonstration plant (DEMO). Because of the time required for materials development and the scale-up of materials to commercial production, a decision to build a neutron source should precede engineering design activities for a DEMO by at least 20 years. The characteristic features of 14-MeV neutron damage are summarized including effects related to cascade structure, transmutation production, and dose rate. The importance of a 14-MeV neutron source for addressing fundamental radiation damage issues, alloy development activities, and the development of an engineering database is discussed. For these considerations, the basic requirements and machine parameters are derived.     

Simulating a 100 keV cascade in a simplified nuclear glass by a method combining ballistic and classical molecular dynamics

The CoMoD method (combined molecular dynamics) extends the scope of classical molecular dynamics to allow the investigation of energy levels corresponding to actual recoil nuclei with shorter computation times. The results obtained at 100 keV confirm those obtained by classical molecular dynamics at lower energies. After the acceleration of the initial projectile, the glass passes through a depolymerization phase that reaches a maximum before structure recovery.

The 100 keV cascade simulated here shows a persistent final depolymerization of about 150 chemical bonds. We also observe a decrease in the atomic density along the primary or secondary projectile path within a radius of 15 Å.

There does not seem to be any reason that would prevent applying the CoMoD method to other glass or crystalline matrices, although each matrix will require reconfiguration.     

Loop formation by ion irradiation in yttria stabilized zirconia

Yttria stabilized zirconia (YSZ) is a candidate material focused as optical and insulating materials in nuclear reactors. Therefore, it is useful to investigate defect formation during irradiation, in order to assess YSZ resistance to radiation damage. In the present study, in situ transmission electron microscopy (TEM) observations were performed on YSZ during 30 keV Ne⁺ ion irradiation in the temperature range of 723–1123 K (using 100 K intervals). Results revealed that damage evolution morphology depends on irradiation temperature. For irradiations below 1023 K, defect clusters and bubbles were formed simultaneously. On the other hand, at 1123 K, only bubbles were formed in the initial stage of irradiation. Loops formed later following the bubble formation. It was also observed that, in the early stage of irradiation above 923 K, larger bubbles were formed along the loop planes compared with other areas.

TEM observations indicated that dislocation loops formed on three kinds of crystallographic planes: namely, {1 0 0}, {1 1 1} and {1 1 2} planes.     

A BCA-model for displacement damage calculations in polyatomic ionic materials

Damage parameters as defined in the frame of the dpa-concept are commonly used to quantify radiation exposure to solid materials. Calculations of such parameters in light mass and polyatomic ionic materials suffer severely from limitations of the well-established NRT–Lindhard model, which are due to restrictions of the underlying physics and insufficiencies of the modelling. To overcome these drawbacks a binary collision approximation (BCA)-model appropriate for this class of materials has been developed and implemented into the code M. The main issue to be solved was the treatment of ionic compounds and its implications. The influence of the improved BCA-model on damage production and damage characteristics is demonstrated by simulating collision cascades in lithiumtitanate Li₂TiO₃, a candidate tritium breeder in fusion reactor blankets.     

High-dose neutron induced radiation swelling simulated by heavy ion irradiation and its microscopic study with positron annihilation technique

1IntroductionStainlesssteel(SS)isanimportantreactorstructuralmaterial.SSusedinreactorsexperiencesneutronirradiationandtheaccumulateddosemayreach1022-23n'cm--2alleryearsofreactoroperation.Consequently,severeradiationeffectsoccurinSSandwouldleadtoareactorbreakdownorevenaccident.RadiationsWellingisamajorradiationeffectinSSwhichshouldbetakenintoaccountinreactordesignandoperation.Severeswellinggenerallyoccursatneutrondosesof2102on'cm--2.Thelackofneutronproducingson-rsesofsuchhighdoseshampersits…     

Theoretical calculation and analysis of the p+Co reaction

All cross sections, elastic and inelastic scattering angular distributions, energy spectra, and double differential cross sections of neutron, proton, deuteron, triton, helium and alpha particle emission for the p+⁵⁹Co reaction have been calculated and analyzed at incident energies from threshold to 200 MeV. The optical model, the intra-nuclear cascade model, direct, pre-equilibrium and equilibrium reaction theories are used. It is found that the theoretical calculated results are in good agreement with experimental data.     

医用壳聚糖膜材料的辐射灭菌及有关性能变化的研究

选用枯草杆菌和金黄色葡萄球菌为参照菌种，研究了空气和氮气两种气氛下壳聚糖膜材料的辐射灭菌以及在灭菌过程中膜材料的辐射解及裂解而导致材料有关性能的变化。     

Ep≤200 MeV能区p+58Ni反应的计算与分析

以现有质子诱发⁵⁸Ni的各种核反应截面、能谱、双微分截面、弹性散射角分布等实验数据为基础，利用自行研制的大型核模型计算程序MEND计算质子能量在200MeV能区内⁵⁸Ni(p,x)反应的截面、能谱、角分布和n、p、α、d、t、³He6种出射轻粒子的双微分截面。MEND程序的理论框架基于球形光学模型、核子的核内级联发射模型、以激子模型为基础的预平衡发射理论、蒸发模型和带宽度涨落修正的Hauser Feshbach统计理论。光学模型中的势参数由APMN程序通过符合p+⁵⁸Ni反应的去弹截面和弹性散射角分布获得。出射粒子的双微分截面则利用MEND程序输出的能谱再通过Kalbach系统学公式计算。将计算结果与实验数据及ENDF/B6评价库进行了比较，计算结果与实验数据基本一致，与ENDF/B6相比，增加了³He的计算，且将能区上推至200MeV。      

离子辐照GaAs的光致发光和拉曼散射研究

利用250 keV质子和4.5 MeV氪离子(Kr17+)辐照未掺杂GaAs,注量分别为1×10~(12)-3×10~(14) cm~(-2)和3×10~(11)-3×10~(14) cm~(-2),使用光致发光谱和拉曼散射谱分析表征。发光谱的结果表明,随着剂量增大,质子辐照后的CAs峰及其声子伴线逐渐减弱,913 nm处的复合缺陷峰则先增大后减小,此峰与材料制备时的Cu掺杂无关。Kr离子辐照后本征发光峰则完全消失。拉曼散射谱的结果表明,相比于质子辐照,Kr离子辐照后LO声子峰峰位向低频方向移动,出现非对称性展宽,晶体结构发生明显改变。质子和Kr离子辐照效应的差异是由于移位损伤相差至少三个量级造成的。最后采用多级损伤累积(Multi-step damage accumulation,MSDA)模型得到了材料内缺陷的演化过程,并很好地解释了随损伤剂量增大GaAs光学性能及晶体结构的变化趋势。     

Calculation and analysis of p + Ca reaction cross sections at incident energies from threshold to 250 MeV

All cross sections, angular distributions and energy spectra of neutron, proton, deuteron, triton, helium, alpha particle emission for p + ^{40,42,43,44,46,48,nat}Ca reactions have been calculated and analyzed at incident proton energies from threshold to 250 MeV by nuclear theoretical models. The theoretical calculated results are in good agreement with existing experimental data.     

Mechanical properties of fluorite-related oxides subjected to swift ion irradiation: Pyrochlore and zirconia

The modifications of the mechanical properties of related-fluorite oxides (cubic zirconia [c-ZrO₂] and pyrochlores [Gd₂(Ti_1−xZr_x)₂O₇ with x = 0.5 and x = 1]) induced by swift heavy ion irradiation are investigated. Polycrystalline pellets of both materials were irradiated at room temperature with 940 MeV Pb or 870 MeV Xe ions at the GANIL accelerator in Caen at fluences ranging from 2 × 10¹¹ to 10¹³ cm⁻². Residual macroscopic stresses induced by irradiation were determined using X-ray diffraction and the sin²ψ method. The microhardness and the fracture toughness of irradiated samples were studied by Vickers micro-indentation. Amorphization occurs in Gd₂TiZrO₇ and not in Gd₂Zr₂O₇ and c-ZrO₂. The mechanical behavior of materials is found to be closely related to the residual stresses induced in the surface layer by irradiation. Compressive stresses are generated in c-ZrO₂ and Gd₂TiZrO₇ (leading to an increase of fracture toughness), whereas tensile stresses (inducing a large decrease of fracture toughness) are observed in Gd₂Zr₂O₇ due to the lattice contraction related to a pyrochlore fluorite→transition.     

我国抗辐射电子学发展的回顾与展望

本文扼要地介绍抗辐射电子学的主要内容,并回顾了这门新科学在我国的发展概况。由于电子器件及系统对于核或空间辐射以及核电磁脉冲十分敏感,它们必须进行加固以保证在空间及强辐射环境中能生存和正常工作,因此逐渐形成了抗辐射电子学这门新的核电子学分支。     

5.0MeV和9.5MeV快中子辐照在GaAs中产生的辐射损伤的正电子湮没研究

采用正电子湮没寿命测量方法研究了５．０ＭｅＶ和９．５ＭｅＶ快中子辐照在ＧａＡｓ中产生的辐射损伤，实验结果表明１０＾１１－１０＾１２ｎ／ｃｍ＾２注量的中子辐照只产生单空位缺陷１０＾１３ｎ／ｃｍ＾３注量的中子辐照产生单空位和双空位缺陷，１０＾１２ｎ／ｃｍ＾２注量的９．５ＭｅＶ中子辐照的ＧａＡｓ经４５０－６２０℃退火产生三空位缺陷，产生的缺陷浓度随中子能量和注量的增大而增大，但缺陷产生率对中子注量更灵敏     

Buckle, ruck and tuck: A proposed new model for the response of graphite to neutron irradiation

The default theory of radiation damage in graphite invokes Frenkel pair formation as the principal cause of physical property changes. We set out its inadequacies and present two new mechanisms that contribute to a better account for changes in dimension and stored energy. Damage depends on the substrate temperature, undergoing a change at approximately 250 °C. Below this temperature particle radiation imparts a permanent, nano-buckling to the layers. Above it, layers fold, forming what we describe as a ruck and tuck defect. We present first principles and molecular mechanics calculations of energies and structures to support these claims. Necessarily we extend the dislocation theory of layered materials. We cite good experimental evidence for these features from the literature on radiation damage in graphite.     

MD simulation of ion implantation damage in AlGaAs: III. Defect accumulation and amorphization

The defect accumulation and amorphization in (0 0 1)Al_xGa_1−xAs due to irradiation with 200 keV Ar ions at 20 K is investigated with the help of classical molecular dynamics computer simulation using a modified Tersoff potential. The amount of disorder as a function of the number of displacements per atom has been calculated for x = 0, 0.2, 0.5, 0.75, 0.9 and 1.0. The results reasonably agree with the corresponding RBS data from the literature for x ? 0.9, however, they completely disagree in the case of x = 1. An artificial increase of thermally activated processes shows that thermal annealing during the irradiation may be responsible for the outstanding behavior of AlAs. In addition, the structure of the damage is investigated by visualizing the amorphous clusters and their evolution. It is shown that dynamic annealing does exist. It is negligible for x = 0 but it becomes more and more important with increasing Al content x. Furthermore, it is shown that the generation of damage is supported by pre-damage. This effect dominates the dynamic annealing for x ? 0.5.     

Theoretical calculation of neutron cross sections for 90,91,92,94,96Zr in the incident energy range between 200 keV and 20 MeV

Neutron cross sections of ^{90,91,92,94,96}Zr were calculated in the incident energy (E_n) range from 200 keV to 20 MeV for the revision of the 4th version of the Japanese Evaluated Nuclear Data Library (JENDL-4.0). The calculation was carried out by using conventional nuclear reaction models such as the spherical optical model, the distorted wave Born approximation, preequilibrium models, and the multi-step statistical model. Parameter values of these nuclear models were adjusted with the aid of experimental cross sections which were published after the JENDL-4.0 evaluation. Cross sections were computed for total, elastic and inelastic scattering, (n, γ), (n, 2n), (n, p), (n, α), (n, nα), and (n, x) = (n, d) + (n, np) reactions, and they were almost consistent with the experimental data. The cross sections were also estimated for the metastable states with the half-life larger than 1 sec. The obtained results well reproduced measured cross sections for the reactions ⁹⁰Zr(n, 2n)^89mZr, ⁹¹Zr(n, x)^90mY and ⁹¹Zr(n, nα)^87mSr.     

O、C离子注入n型GaN的黄光发射研究

采用光致发光(Photoluminescencc,PL)谱的测量,研究了1012～1017cm-2的O和C两种离子注入和退火对非有意掺杂的n型GaN黄光发射(Yellow luminescence,YL)的影响,注入后的样品在流动N2的保护下进行退火,退火温度950℃,退火时间30 min.对比相同剂量下N离子注入GaN黄光发射,结果表明O、C两种离子的注入在GaN中分别引入了与黄光发射相关的不同的深能级中心,当C离子注入剂量高达1017cm-2时,能引起黄光发射的C相关的深能级中心显著增多.     

一种新阈探测器的实验验证和重离子靶区中子测量

验证了用^2099Bi作为一种新的阈探测器测量高能中子的可能性，并利用^115In,^27Al,^19F,^12C和^209Bi组成的阈探测器组合测量了中能重离子反应实验靶区出射中子的注量率分布、能量分布和剂量当量率分布。