MONTE CARLO STUDIES OF RADIATION DAMAGE INDUCED BY FUSION DYNAMIC SIMULATION OF SPUTTERING

In this paper, the sputtering caused by fusion of ⁴He particles in the first wall materials is investigated by using the dynamic Monte Carlo simulation, which is based on the binary collision approximation. The dependences of sputtering yields on the incident energy and angle, as well as the comparisons of results calculated using the Monte Carlo methed with results from experiments, are discussed. Energy spectrum and angular distributions of sputtered species, the depth of origin of the sputtered particles as well as range distributions of incident ions are given. From a comparison between the related experimental data and the calculated results with static and dynamic simulation it has been found that a better agreement is obtained for dynamic simulation.     

Sputtering studies with the Monte Carlo Program TRIM.SP

The Monte Carlo Program TRIM.SP (sputtering version of TRIM) was used to determine sputtering yields and energy and angular distributions of sputtered particles in physical (collisional) sputtering processes. The output is set up to distinguish between the contributions of primary and secondary knock-on atoms as caused by in- and outgoing incident ions, in order to get a better understanding of the sputtering mechanisms and to check on previous theoretical models. The influence of the interatomic potential and the inelastic energy loss model as well as the surface binding energy on the sputtering yield is investigated. Further results are sputtering yields versus incident energy and angle as well as total angular distributions of sputtered particles and energy distributions in specific solid angles for non-normal incidence. The calculated data are compared with experimental results as far as possible. From this comparison it turns out that the TRIM.SP is able to reproduce experimental results even in very special details of angular and energy distributions.     

Self-sputtering and reflection

Selfsputtering and reflection are investigated with the Monte Carlo program TRIMSP. The results include particle and energy reflection coefficients, sputtering yields and sputtered energy versus incident angle and energy. Angular and energy distributions of reflected and sputtered particles are also given. Reflection and sputtering values are compared to show their contributions to selfsputtering. A comparison of calculated sputtering yields and sputtering efficiencies (sputtered and reflected energy) with experimental data is carried out. The systems investigated are mainly the bombardement of C, Ni, and W with self-ions at low energies. All global results are summarized in graphs, where scaling properties are utilized including the sputtering yield in a generalized form.     

离子轰击入射角对溅射参数的影响

本文用基于两体碰撞近似的蒙特-卡罗模拟方法研究离子轰击入射角对溅射参数的影响,讨论了入射角与溅射产额、溅射粒子能谱、角分布和阈能的关系,并把计算结果与某些半经验公式和实验数据进行了比较。 关键词：     

用自洽的蒙特卡罗—流体结合模型模拟溅射过程

 采用自洽的蒙特卡罗－流体结合模型对溅射过程进行模拟,以了解等离子体粒子行为与溅射参数的关系。溅射过程包括气体放电和溅射原子传输。对于气体放电,蒙特卡罗部分模拟快电子和快气体原子,而流体部分则描述离子和慢电子。对于溅射原子传输,蒙特卡罗部分模拟溅射原子的碰撞过程,而流体部分则描述溅射原子的扩散和漂移。模拟的结果包括：等离子体粒子的密度和能量分布;不同电离机制对气体原子和溅射原子电离的贡献;不同等离子体粒子对阴极溅射碰撞的贡献;溅射原子的密度分布;溅射场和溅射粒子相对于入射离子能量和角度的分布;溅射原子经碰撞后在整个等离子体区的分布。     

Monte Carlo simulation of thermalization process of sputtered particles

The transport process of sputtered particles in plasma sputter deposition was studied by computer simulation using the Monte Carlo method, with particular attention to the understanding of the thermalization process. Due consideration was taken of the momentum loss as well as of the energy loss of sputtered particles colliding with sputter gas molecules. The results clearly showed that with increasing target-substrate distance, the energy distribution of sputtered copper atoms arriving at the substrate shifts toward lower kinetic energies, but still contains a considerable fraction of high energy particles. In addition, it was found that the arrival rate of sputtered copper atoms at the substrate decreases exponentially with the target-substrate distance, while the return rate to the target first increases and then becomes constant. It was concluded that the present Monte Carlo simulation can be successfully used for a quantitative estimation of the transport process of sputtered particles.     

ADATOM, VACANCY AND SPUTTERING YIELDS OF ENERGETIC Pt ATOMS IMPACTING ON Pt(100) BY MOLECULAR DYNAMICS SIMULATION

We have studied the influence of incident atoms with low energy on the Pt(100) surface by molecular dynamics simulation. The interaction potential obtained by the embedded atom method (EAM) was used in the simulation. The incident energy changes from 0.1eV to 200eV, and the target temperature ranges from 100 to 500 K. The target scales are 6×6×4 and 8×8×4 fcc cells for lower and higher incident energies, respectively. The adatom, sputtering, vacancy and backscattering yields are calculated. It was found that there is a sputtering threshold for the incident energy. When the incident energy is higher than the sputtering threshold, the sputtering yield increases with the increase of incident energy, and the sputtering shows a symmetrical pattern. We found that the adatom and vacancy yields increase as the incident energy increases. The vacancy yields are much higher than those obtained by Monte Carlo simulation. The dependence of the adatom and sputtering yields on the incident energy and the relative atomistic mechanisms are discussed.     

Computer simulation of gas rarefaction effects and film deposition characteristics in a magnetron sputtering apparatus

Ar gas is known to be rarefied in front of a magnetron sputtering cathode due to the collisional heating by energetic sputtered atoms. The effects of the Ar rarefaction in a magnetron sputtering apparatus used for Ti-film deposition were investigated using the direct simulation Monte Carlo (DSMC) method which is capable of taking gas rarefaction effects into account. The calculated film deposition rate on a substrate and the film coverage in a small hole were larger than those calculated by the conventional simulation where the gas rarefaction is not included. This shows that the gas rarefaction improves both the film deposition rate and the film coverage.     

多成分靶优先溅射的蒙特-卡罗计算

基于两体碰撞近似,本文用蒙特-卡罗方法研究离子轰击多成分靶引起的溅射。计算了1keV,10keV的氦离子和氖离子入射引起多成分、无定型靶表面总溅射产额和部分溅射产额;溅射粒子的能谱、角分布和深度来源分布。并计算了择优溅射引起材料表面组分相对浓度的变化。结果还表明,离子轰击多成分靶时,碰撞效应足以引起优先溅射,它是造成靶表面各种成分相对浓度变化的重要因素。 关键词：     

离子轰击引起的表面形貌对Ag的溅射产额的影响

用捕获膜技术和卢瑟福背散射(RBS)谱仪测定Ag靶在27keV Ar⁺离子轰击下的溅射原子角分布,从而确定不同剂量下Ag的溅射产额,并对其靶点表面形貌进行扫描电子显微镜(SEM)观察。结果发现,所有的角分布都呈over-cosine形状,但其溅射产额却随着表面形貌不同而不同。根据溅射产额Y与轰击离子入射角φ变化关系,讨论不同轰击剂量下溅射产额的差别,肯定了表面形貌是影响溅射产额的一个重要因素,并由此提出“表观产额”的新概念。 关键词：     

Computer simulation of two-component target sputtering

The TRIM SP computer simulation program, which is based on the binary collision approximation, is applied to sputtering of two component targets. The topics discussed in this paper are: contribution of different processes leading to sputtering, total and partial sputtering yields, surface compositions at stationary conditions, sputtering of isotopic mixtures, angular and energy distributions and the escape depth of sputtered particles. Targets investigated are TaC, WC, TiC, TiD₂, and B (as an isotope mixture), bombarded by the noble gas ions and D (in the case of TiD₂). Comparison with experimental data and calculated results show good agreement demonstrating that collisional effects are sufficient to describe the experimental data in the examples investigated.     

BaF2晶体的取向和入射束的剂量对溅射的影响

２７ｋｅＶ Ａｒ^＋离子束沿法向分别入射在ＢａＦ₂单晶（１１１），（１００）和（１１０）的晶面上，用捕获器方法和Ｒｕｔｈｅｒｆｏｒｄ背散射分析法测定了Ｂａ原子的溅射角分布和溅射产额。结果发现不同取向的晶体表面，它们的溅射产额有明显差异。当用剂量为５×１０¹⁷ｉｏｎ／ｃｍ²的Ａｒ^＋离子分别轰击这三种晶面时，其溅射产额的顺序Ｙ_１００＞ｙ_１１１＞ｙ_１１０．对已被上述剂量辐照过的晶面再作相同剂量轰击时，测得的溅射产额明显增大。这些结果被认为是由于在离子辐照过程中表面晶格受损逐步增大所致。 关键词：     

Interaction of low-energy Cu2 dimers with copper clusters on the graphite surface

The sputtering of clusters consisting of 13, 27, and 75 copper atoms from the (0001) graphite surface under bombardment by Cu₂ dimers with energies of 100, 200, and 400 eV has been simulated using the molecular dynamics method. A comparative analysis of the distributions of backscattered particles and their energies over polar angles and the energy distributions of sputtered atoms has been performed. The factors responsible for the large sputtering yield from surface clusters under their bombardment with dimers as compared to copper and xenon monomers have been discussed. It has been demonstrated that, in the case of bombardment with dimers, the substantial role in the sputtering of surface clusters is played by the overlap of collision cascades initiated by each atom of the incident dimer. The differences in the sputtering under cluster and atom bombardments are especially pronounced in the case of large surface clusters.     

Ni原子倾斜轰击Pt(111)表面低能溅射现象的分子动力学模拟

采用嵌入原子方法的原子间相互作用势,通过分子动力学模拟详细研究了以不同角度入射的低能Ni原子与Pt (111)基体表面相互作用过程中的低能溅射行为.结果表明:随着入射角度从0°增加到80°,溅射产额Y_s和入射原子钉扎系数S的变化均可以根据入射角θ近似地分为以下三个区域:当θ ≤ 20°时,Y_s和S几乎保持不变,其值与垂直入射时接近,溅射原子的发射角分布和能量分布也与垂直入射时的情 关键词： 分子动力学模拟 入射角 低能溅射     

聚变α粒子对第一壁辐照损伤的蒙特-卡罗研究(Ⅱ)——溅射

本文应用蒙特-卡罗方法研究聚变α粒子对不锈钢第一壁的溅射损伤。首先,计算单种元素Fe,Cr,Ni的溅射产额随入射能量的变化,并与实验结果比较,以确定计算中所用到的一些重要参数,如原子位移能等。在此基础上计算聚变α粒子对不锈钢(Fe_0.73Cr_0.18Ni_0.09)的部分(和总)溅射产额,溅射粒子的能谱、角分布和源深度分布,以及上述各量与α粒子入射角的关系。结果表明,在考虑入射α粒子随能量及入射角的分布后,其平均总溅射产额为0.375。由于1     

Probability of ionization of sputtered particles as a function of their energy: Part I: Negative Si ions

In this study we have investigated how the probability of ionization of sputtered Si atoms to form negative ions depends on the energy of the atoms. We have determined the ionization probability from experimental SIMS energy distributions using a special experimental technique, which included de-convolution of the energy distribution with an instrumental transmission function, found by separate measurements.We found that the ionization probability increases as a power law ∼E^0.677 for particles sputtered with energies of 0-10 eV, then becomes a constant value (within the limits of experimental error) for particles sputtered with energies of 30-100 eV. The energy distributions of Si⁻ ions, measured under argon and cesium ion sputtering, confirmed this radical difference between the yields from low and high-energy ions.To explain these results we have considered ionization mechanisms that are different for the low energy atoms (<10 eV) and for the atoms emitted with higher energy (>30 eV).     

Backscattering of Relativistic Electrons Incident on a Planar Foil at a Small Angle to Its Surface

Photographs of cross sections of an electron beam backscattered from a thin tungsten target have been obtained on a dosimetric film. The procession of images makes it possible to obtain the spatial distribution of backscattered particles. The angles of back reflection θ_br of electron beams from foils have been measured. A 7.4-MeV microtron has been used as a source of electrons. The experiments have been performed with a tungsten foil 386 mg/cm² (200 μm) thick and a tantalum foil 1328 mg/cm² (800 μm) thick. Particles have been injected at an angle of α = 10° to the foil surface. The Monte Carlo simulation of the scattering of relativistic electrons incident on a planar target at small angles to its surface has been performed. The spatial and energy distributions of backscattered particle fluxes both transmitted through the target and reflected from it have been calculated. The dependences of fluxes on the direction of injection of particles and on the material and thickness of the target have been considered.     

A new technique for the measurement of sputtering yields

We have measured the yields of 90 keV ⁴⁰Ar⁺ and V⁴He⁺ sputtering of Mo and V samples by the use of a new radio-tracer technique. This technique involves activating the samples by high-energy charged-particle irradiation before sputtering, and using conventional γ-ray counting methods to analyze the material subsequently sputtered onto collector foils. We have also measured angular distributions of the sputtered material, and compared these results and our total sputtering yields with the predictions of Sigmund's sputtering theory. Further comparisons between our radiotracer results and those obtained for ⁴⁰Ar⁺ sputtering of unactivated Mo and V samples, determined from elastic backscattering measurements using 12 MeV ¹⁶O ions, show that the techniques give consistent results.     

Plasma-facing surface estimation in the presence of oblique magnetic field

Useful analytical approximation formulas for the sheath electric potential profile in the presence of secondary electron emission in oblique magnetic field is suggested.The potential distributions calculated with the proposed model are in good agreement with the respective simulations perfomed with a combined PIC and Monte Carlo code ELECTRAN. The influence of the magnetic field inclination angle on the angular and energy distributions of ions incident on plasma-facing components (PFC) and thus on the effective sputtering yield is analyzed.     

Anisotropic angular distribution of sputtered atoms

The sputtering yield angular distributions have been calculated on the basis of the ion energy dependence of total sputtering yields for Ni and Mo targets bombarded by low-energy Hg⁺ ions. The calculated curves show excellent agreement with the corresponding Wehner's experimental results of sputtering yield angular distributions. This fact clearly demonstrates the intrinsic relation between the ion energy dependence of total sputtering yields and the sputtering yield angular distribution. This intrinsic relation had been ignored in Yamamura's papers [Yamamura, Y. (1982). Theory of sputtering and comparison to experimental data, Nucl. Instr. and Meth., 194, 515–522; Yamamura, Y. (1981). Contribution of anisotropic velocity distribution of recoil atoms to sputtering yields and angular distributions of sputtered atoms, Rad. Eff., 55, 49–55.] due to some obvious mistakes.