液态水中重离子径述结构及能量沉积分布的研究

介绍了重离子径述结构及能量沉积分布理论研究的进展情况，给出了重离子ＭｏｎｔｅＣａｒｌｏ计算模型以及电子径迹中的能量沉积几率分布和重离子径向剂量分布等计算结果。     

Track structure and energy deposition distribution of heavy ions in liquid water

Progress in theoretical research into track structure and energy deposition distribution of heavy ions in introduced,and some research results are given,such as a Monte Carlo model of heavy ion track structure calculation,frequency distribution of energy deposition inside a electron track and radial dose distribution around a heavy ion path.Moreover,research direction in future is also analysed.     

Monte Carlo study of molecular weight distribution changes induced by degradation of ion beam irradiated polymers

In this work we study a polymeric material that degrades upon irradiation due to the energy inhomogeneously deposited by heavy ion beams. Ion beam irradiation of polymers generates rather different effects than those induced by “classical” low ionizing particles such as electrons or gamma rays. This is due to the high electronic stopping power and the inhomogeneous distribution of deposited energy. This energy is transferred to the material within a small volume along the ion path forming the so called “nuclear track” or “latent track”. The track size primarily depends on the ion velocity, and it is determined by the secondary electrons (delta rays) generated along the ion trajectory. By means of Monte Carlo simulations we first obtained equilibrated polymer configurations using a coarse-grained model, and then investigated the spatially inhomogeneous chain scission process due to the passage of the ions. The number average molecular weight, weight average molecular weight and the polydispersity were calculated as a function of track radius, scission probability within the ion track and irradiation fluence. Finally we compared our results with a numerical implementation of a model for random homogeneous degradation.     

Nanostructuring of BaF2 (1 1 1) surfaces by single slow highly charged ions

The creation of surface nanostructures in BaF₂ (1 1 1) surfaces was studied after irradiation with slow highly charged Xe ions from the Dresden-EBIT (electron beam ion trap). After irradiation, the crystals were investigated by scanning force microscopy (SFM). Using specific ion parameters, the topographic images show nanohillocks emerging from the surface. Additionally, we used the technique of selective chemical etching to reveal the lattice damage created by ion energy deposition below and above threshold needed for surface hillocks formation. The role of both potential and kinetic energy as well as a comparison with results for swift heavy ion irradiations of BaF₂ single crystals are presented.     

基于Geant4-DNA工具包的单能电子微剂量学模拟研究

应用Geant4－DNA工具包分析和评估了不同物理过程影响因素对低能电子在液态水中的影响,为建立放射治疗与辐射防护所关心的微剂量学基本数据库提供理论支撑。在最新版本的Geant4中,Geant4-DNA工具包中共有7个物理模型可模拟电子在液态水中的输运。根据不同模型的特点,本文选择其中5个适用的模型来模拟单能入射电子(0.1～20 keV)在液态水中的输运过程;比较各模型记录的径迹结构具体信息,包括相互作用过程总次数、电离和激发次数及相应沉积能量占比等;分析Geant4-DNA选项模型、抽样位点小球半径及相互作用过程等因素对线能均值的影响。模拟结果显示:“option0”与“option2” 之间、“option4”与“option5”之间的模拟结果基本吻合;由于各个模型相互作用截面的不同,“option2”、“option4”和“option6”的径迹信息及线能均值均存在差异;模型对线能均值的影响随着抽样位点小球半径的增大而减小。本工作通过设置不同输运控制条件较全面地比较了Geant4-DNA工具包中的不同选项模型,对用户根据需要选择合适的模型模拟单能电子有帮助和指导作用,为完善电子在液态水中的微剂量学数据库并用于评估电离辐射在微观尺度的生物学效应提供依据。     

Angular dependence of the sputtering yield from a cylindrical track

The dependence of the sputtering yield on the incident angle, Θ, is determined using molecular dynamics (MD) simulations for a cylindrical track produced by a fast ion. For a ‘small' spike radius and for the mean energy in the track, E_exc, smaller than the binding energy, U, a (cosΘ)^−1.7 dependence is found, close to the linear collision cascade (LCC) result and to some thermal spike models. On the other hand, when E_exc>U, the incident angle dependence is (cosΘ)⁻¹. For a larger spike radius we obtain a (cosΘ)^−1.6 dependence for both high and low energy densities. Analytic spike models based on diffusive transport are shown not to give satisfactory results. In addition, at low energy densities we see correlated atom ejection ignored in analytic models. Applying the MD results to the experimental data for electronic sputtering of solid O₂ at large excitation densities suggests that the effective spike radius is larger than the initial Bohr adiabatic radius indicating that energy is rapidly transported from the initially narrow track.     

ENERGY DEPOSITION BY LOW ENERGY IONS

Considering the ionizing energy of bound electrons, the energy depositions around the path of an ion whose energy is below 1 MeV/u are calculated by using track structure model. The results are in good agreement with experiments.     

Study of ion beam induced swelling in fluorite as an inert matrix model

As a model material of fluorite type structure, single crystals of CaF₂ were irradiated with various heavy ions (from ³²S to ²⁰⁹Bi) of specific energies between 1 and 12 MeV u⁻¹. Using a profilometer, out-of-plane swelling was measured by scanning over the border line between irradiated and virgin areas of the sample surface. The step height as a function of the ion fluence exhibits a linear increase in the initial phase and saturates at high fluences. Track radii contributing to the swelling effect are deduced. Above a critical energy loss of about 5 keV nm⁻¹, the initial swelling rate per incident ion shows two separated regimes. Finally, the response of CaF₂ submitted to high electronic energy loss is discussed in combination with earlier track observations by transmission electron microscopy.     

表面峰强度的Monte Carlo模拟计算

本文介绍用Monte Carlo模拟方法对入射He~+离子能量在0.1—2.OMeV范围内,硅、铝单晶在几种不同表面结构条件下的表面峰强度进行了计算。讨论了离子入射能量、入射角度、晶格原子热振动幅度、相关系数、表面增强因子、原子位移和吸附原子等因素对计算结果的影响。     

Grazing scattering of 1-2 MeV HeH ions from KCl(0 0 1): Effect of surface track potential

Three dimensional (3D) distributions (energy E, scattering angle θ and azimuth angle φ) of the fragment protons dissociated from HeH⁺ during grazing angle scattering from a KCl(0 0 1) are measured using a magnetic spectrometer in order to study the effect of the surface track potential. The distributions of the fragment protons scattered from a SnTe(0 0 1) are also measured as a reference. Although the observed distributions for KCl(0 0 1) and SnTe(0 0 1) are basically the same, there is small differences, especially in the scattering angle distribution. While the fragment protons are scattered at the specular angle from SnTe(0 0 1), the protons are scattered at slightly larger angles from KCl(0 0 1). The observed angular shift is more pronounced for the trailing protons than the leading protons. It is also found that the angular shift increases with decreasing ion energy. The observed angular shift can be qualitatively explained by the surface track potential induced by the partner He ions using a simple model of the surface track potential.     

Effective energy deposition and latent track formation of swift heavy ions in solids

In the present paper, latent track formation in yttrium iron garnet (YIG) produced by high energy Ar ions is briefly reported at first. Then, in the framework of thermal spike model, a phenomenological parameter describing the effective energy transfer from excited electrons to lattice atoms, effective energy deposition Qeff, is deduced. Qeff is a function of ion velocity, electronic energy loss (Se) and mean free path λ of excited electrons in the matter, and is a time moderate term in…     

Ion track structure calculations in silicon - Spatial and temporal aspects

Spatial and temporal characteristics of energy deposition events and electron-hole distributions as a result of the passage of energetic ions in silicon are studied using Monte Carlo simulations, for incident ion energies in the range of 0.5-100 MeV/amu. Ion track radii as function of the incident ion energy are presented. The range of ion energies and masses for possible melting in the track region is calculated. It is also found that it is not possible to separate between the temporal and spatial characteristics.     

Interaction of energetic clusters (Au3, Au400 and C60) with organic material and adsorbed gold nanoparticles

Using molecular dynamics simulations (MD), this contribution compares the interaction of three energetic clusters (Au₃, Au₄₀₀ and C₆₀) with a hybrid surface of crystalline polyethylene (PE) covered by a layer of gold nanoparticles. This model system mimics the situation encountered in metal-assisted secondary ion mass spectrometry. The chosen impact points are representative of the PE surface, the metal particles and the frontier between the metal and the polymer. The simulations show the differences between the impact over the Au nanoparticle and the polymer surface, in terms of projectile penetration, crater formation and sputtering yield of PE and gold species. For C₆₀ and Au₃ projectiles, a simple correlation is found between the quantity of energy deposited in the top polymeric layers and the quantity of sputtered polymer material, including all the impact points. The results obtained with Au₄₀₀ do not fit on this line, indicating that other physical parameters are prevalent. The mechanistic view of the interaction provided by the MD helps explain the differences. In short, while C₆₀ and Au₃ quickly break apart, creating energetic recoils and severing many bonds in the surface, Au₄₀₀, with the largest total momentum by far (∼10 times larger than the others) and the lowest energy per atom (25 eV), tends to act and implant in the solid as a single entity, pushing the polymeric material downwards and breaking few bonds in the surface.     

Density evolution in formation of swift heavy ion tracks in insulators

Swift heavy ion irradiation leaves a latent ion track around the ion path in many materials. Here we report computational molecular dynamics (MD) simulation results on track formation in several insulating materials, quartz, amorphous silica (a-SiO₂), zinc oxide and diamond, concentrating especially in mass transport leading to density variations in the track volume during the initial stages of track formation. These details are largely unobservable in experiments due to the picosecond timescale and very local nature, and also in many computational models of track formation. Earlier a low-density core - high-density shell fine structure has been observed in latent tracks in amorphous silica, and here we study if other materials than silica show similar behavior. The results highlight the dynamical nature of track formation, that includes competing effects of heat and mass transport, rapid quenching of the heated area and recrystallization.     

固体气泡损伤探测器探测高能重离子的研究

用高能重离子Ar和C进行的实验表明：（1）高能重离子可以在固体气泡损伤探测器中产生径迹,重离子径迹呈直线形,由一连串微小气泡组成;（2）固体气泡损伤探测器探测重离子具有阈特性,阈的实质近似为临界能量损失率（dE／dX）C,这一阈特性与蚀刻径迹探测器类似。固体气泡损伤探测器的阈值为（dE／dX）c=2220MeV／g·cm2,可用于重离子物理、宇宙射线和宇宙暗物质探测以及癌症治疗模拟等领域。     

Atomistic self-sputtering mechanisms of rf breakdown in high-gradient linacs

Molecular dynamics (MD) models of sputtering solid and liquid surfaces - including the surfaces charged by interaction with plasma, Coulomb explosion, and Taylor cone formation - were developed. MD simulations of self-sputtering of a crystalline (1 0 0) copper surface by Cu⁺ ions in a wide range of ion energies (50 eV-50 keV) were performed. In order to accommodate energetic ion impacts on a target, a computational model was developed that utilizes MD to simulate rapid atomic collisions in the central impact zone, and a finite-difference method to absorb the energy and shock wave for the collisional processes occurring at a longer time scales. The sputtering yield increases if the surface temperature rises and the surface melts as a result of heat from plasma. Electrostatic charging of the surface under bombardment with plasma ions is another mechanism that can dramatically increase the sputtering yield because it reduces the surface binding energy and the surface tension. An MD model of Taylor cone formation at a sharp tip placed in a high electric field was developed, and the model was used to simulate Taylor cone formation for the first time. Good agreement was obtained between the calculated Taylor cone angle (104.3°) and the experimental one (98.6°). A Coulomb explosion (CE) was proposed as the main surface failure mechanism triggering breakdown, and the dynamics of CE was studied by MD.     

Studies on Ion Emission from the Plasma Focus Device by Using Ion Collector and Track Detector

Ion beam emission from a neon gas filled plasma focus device has been studied by using ion collector and solid state nuclear track detector. The neon ion beam emission is found to be highly pressure dependant and it is maximum at a pressure of 0.3 Torr. The maximum ion energy at 0.3 Torr is estimated to be 1 MeV. Preliminary results on solid state nuclear track detector indicate the formation of tracks in CR-39 due to exposure of neon ions. The average rim diameter of tracks is measured to be 4.35 μm and the number of track is of the order of 10¹⁰ track/m².     

固体核径迹研究进展

介绍最近几年固体核径迹研究取得的主要进展，包括：径迹形成机制和探测方法研究固体核径迹在核物理、高能和相对论重离子核反应，原子物理、空间科学、宇宙射线探测、地学、测氡和核孔膜等领域的应用。     

辐射损伤潜径迹的纳米尺度观测研究

综述了近年来用扫描隧道显微镜 (STM )和扫描力显微镜 (SFM)在原子水平上观测辐射损伤潜径迹的研究及进展。详述了辐射损伤潜径迹的形貌、损伤范围、损伤数密度、损伤几率等 ,对损伤潜径迹直径与能损的关系、损伤过程及各种可能的损伤机制进行了分析和讨论。     

Impact and energy deposition of slow, highly charged ions on a solid surface

A plasma region in nanometer scale may be created by a highly charged ion impact on solid surface. The charge imbalance leads to enormous electric fields and may further induce Coulomb explosion due to electrostatic repulsion in the region. Thus, the highly charged ion is thus expected to be a powerful tool to induce surface modification in the nanometer scale. The Coulomb explosion model is applied in order to interpret the interaction mechanism and to understand the impact and energy deposition of highly charged ions on a solid surface, and to obtain the energy deposited by the ion. The energy deposition ratio is dependent on the material and charge. A high temperature and high pressure environment will be formed by the deposited energy, causing the atoms to swell up and a hillock nano-defect to be formed on surface. The height of hillock is estimated from the Coulomb explosion.