辐照损伤模拟中的Zr 原子势函数

以金属Zr 的一种嵌入原子形式(EAM) 的势函数为基础,通过引入一个调制函数的办法,在不同范围内修改了EAM 势函数的对势部分和原子电子密度分布部分,然后采用分子动力学方法计算点缺陷(间隙原子(SIA) 和空位) 形成能和初级离位原子(PKA) 的阈值能,从而探讨这些物理量对势函数的不同部分的敏感程度。计算结果表明:势函数的对势部分长程范围内的形式对缺陷的形成影响较小,其短程范围的形式对SIA 的形成比对空位的形成影响程度更大;对于PKA 的阈值能,其敏感区域来自于势函数的对势部分和原子电子密度分布的短程范围部分,但在不同晶向上的PKA 的阈值能对势函数的敏感程度有所不同。这些研究结果对于在研究Zr 金属的辐照损伤中势函数的选择或构建有指导意义。For the purpose of detecting the sensitive parts of an embedded atom method(EAM) potential which is considered to be used in molecular dynamics simulation of radiation effects of Zirconium, we introduce a modulation function to modify the pairwise potential and the atomic electron-density distribution of the EAM potential. Based on the modified potential function, the formation energies of the self-interstitial atom (SIA) and the vacancy atom are calculated as well as the displacement threshold energy of primary knock-on atom (PKA). The results indicate that the short range part of the pairwise potential has more greater influence on the SIAs formation than the vacancy formation. The defect formation energies are also very sensitive to the behavior of the atomic electron-density function in the range which is close to the cutoff distance. The displacement threshold is sensitive to the short range behaviors of both the airwise potential and the atomic electron-density function, however, the sensitivity is strongly dependent on the crystal-direction.     

混合笔束模型在电子剂量算法中的应用

将双群模型计算的宽束电子的能量沉积与FermiEyges理论的侧向解相结合来构造电子笔束模型,即混合笔束模型.由于混合笔束模型的计算精度和效率较好,并且适用范围较大,因此,混合笔束模型展示了在放射治疗临床应用上的可能性.在混合笔束模型的基础上,改进了混合笔束模型对电子侧向分布的参数计算.计算结果表明,改进的混合笔束模型的精度符合临床应用的要求,同时,其计算速度非常快.因而显示出较好的临床应用价值 关键词： 笔束模型 双群模型 混合笔束模型     

The penetration, diffusion and energy deposition of high—energy photon＊

This paper presents a new theory for calculating the transport of high-energy photons and their secondary charged particles. We call this new algorithm characteristic line method, which is completely analytic. Using this new method we cannot only accurately calculate the transport behaviour of energetic photons, but also precisely describes the transport behaviour and energy deposition of secondary electrons, photoelectrons, Compton recoil electrons and positron－electron pairs. Its calculation efficiency is much higher than that of the Monte Carlo method. The theory can be directly applied to layered media situation and obtain a pencil-beam-modelled solution. Therefore, it may be applied to clinical applications for radiation therapy.     

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     

L-Shell Ionization Cross Section Measurements of Dysprosium and Samarium by Low-Energy Electron Impact

The Lα, Lβ and Lγ x-ray production cross sections of Dy and Sm by electron impact are measured at energies from near threshold to tens of keV. In the experiments, thin targets with thick substrates are used. Meanwhile, the electron transport bipartition model is used to eliminate the influence of electrons reflected from the thick substrates on measurements. The measured x-ray production cross sections are also compared with the theoretical predictions by Gryzinski and McGuire.     

Off-axis dose distribution for rectangle proton beam

This papcr modifies an analytical algorithm originally developed for electron dose calculations to evaluate the off-axis dose distribution of rectangle proton bcam. This spatial distribution could be described by Fermi-Eyges theory since a proton undergoes small-angle scattering when it passes through medium. Predictions of the algorithm for relative off-axis dose distribution by a 6 cm ＊ 6 cm initial monoenergetic proton beam are compared with the results from the published Monte Carlo simulations. The excellent level of agreement between the results of these two methods of dose calculation （〈 2%） demonstrates that the off-axis dose distribution from rectangle proton beam may be computed with high accuracy using this algorithm. The results also prompts the necessity to consider the off-axis distribution when the proton is applied to clinical radiotherapy since the penumbra is significant at the distal of its range （about 0.6 cm at the Bragg-peak depth）.     

基于2.5 MeV质子加速器BNCT装置的中子慢化材料性能模拟研究

基于加速器中子源的硼中子俘获治疗(Boron Neutron Capture Therapy, BNCT)是新一代的放射治疗方法,束流整形体(Beam Shaping Assembly, BSA)作为硼中子俘获治疗装置的重要组成部分,其作用是将中子源中的快中子束流慢化至超热中子能区(0.5 eV~10 keV),并尽可能减少快中子、热中子以及$\gamma $射线的成分,使其满足BNCT用于治疗的中子束要求。本工作基于蒙特卡罗软件包Geant4(Geometry and Tracking),以2.5 MeV,10 mA质子流强的7Li(p, n)7Be中子源为对象,研究分析了AlF₃ 、Fluental、Al₂O₃、Al作为慢化体材料时,不同的厚度对束流出口处的超热中子注量率、超热中子注量与热中子注量比值、快中子成分、$ \gamma $成分所产生的影响。计算表明,当选用厚度为25 cm的AlF₃作为慢化体材料时,经过整形慢化后的超热中子束的束流参数,均满足国际原子能机构(International Atomic Energy Agency, IAEA)的中子束流参数推荐值。     

MRI引导放射治疗中电子回转效应的蒙特卡罗研究

为了研究磁共振引导放射治疗对剂量分布的影响,采用蒙特卡罗方法研究了横向均匀磁场对6 MV光子束在4种不同人体组织材料与空气界面处因电子回转效应导致剂量分布的改变。模拟显示,对于电离能相近的几种材料,磁场对剂量分布扰动的差别较小,而且电离能较大的材料,这种扰动明显变小。结果表明,磁场的引入会影响光子束原有的剂量分布,且这种影响与材料的电离能有关。这意味着虽然磁共振引导放射治疗可以增强靶向精度,提高治疗效果,但磁场会导致光子束剂量分布的改变,且不同的组织这种改变也不相同,这将为相应的剂量算法研究带来了新的挑战。A Monte Carlo code was used to study the discrepancy resulted from the emergence of magnetic field in MRI guided radiotherapy. In this work, four different tissue phantoms with magnetic field and 6 MV photon were studied, and the dose distributions at the interface of phantom-air were evaluated. It is found that the differences of the dose perturbation are small between the materials with similar ionization energy. However, the dose perturbation decreased significantly for the material with high ionization energy. The results of this study demonstrate that magnetic field will change the dose distribution of photon beam and the dose perturbation associated with ionization energy of materials. It means that magnetic resonance imaging guided radiotherapy can enhance the target accuracy, but the magnetic field will change the dose distribution of photon beam, and the perturbation was not the same for the different materials of human tissue, it has brought new challenges for the research of dose algorithm.     

基于蒙特卡罗方法的XHA600D医用电子直线加速器的入射电子束参数研究

使用蒙特卡罗方法研究入射电子束参数对XHA600D医用电子直线加速器产生的剂量分布的影响,并确定优化的入射电子束参数。根据厂商提供的XHA600D加速器治疗头的几何、材料参数,使用蒙特卡罗程序EGSnrc对不同的入射电子束参数进行模拟并记录其在水模体中产生的剂量分布,将模拟结果与测量结果进行比较。模拟的入射电子束参数包括平均能量、径向强度分布、角度展宽和能量展宽;实验测量数据包括4 cm×4 cm、10 cm×10 cm、30 cm×30 cm射野条件下的百分深度剂量与离轴剂量。结果表明当入射电子束的平均能量为6 MeV、径向强度的半高宽(Full Width at Half Maximum, FWHM)为0.25 cm、角度展宽为0.15°时,模拟结果和测量结果吻合非常好。这些参数可以作为建立适用于XHA600D加速器的TPS(Treatment Planning System)剂量计算模型的基础参数。     

弧形调强放射治疗对剂量计算方法的要求

在弧形调强放射治疗的治疗计划设计中, 由于包含有很多照射方向, 调强最优化的射束元矩阵计算需要很大的计算量和存储量, 为提高计算效率常使用简化剂量计算模型计算射束元矩阵, 因此有必要研究简化模型对治疗计划质量产生影响。 对一个模拟例子和一个临床实例, 使用没考虑散射效应的原射线剂量计算模型计算射束元矩阵, 由此进行最优化计算。 在得到最优化强度分布后, 通过比较原射线剂量计算模型和微分卷积剂量计算模型得到的剂量分布, 研究了不同射束数目条件下, 使用简化剂量计算模型计算射束元剂量矩阵对最终的剂量分布质量的影响。 结果表明, 在射线束很多的情况下(对应弧形调强照射）, 用简化的剂量计算模型, 即不考虑散射来计算射束元剂量矩阵, 会导致靶区剂量分布的质量大大低于预期的剂量分布质量, 因此, 弧形调强放射治疗的最优化计算中, 有效考虑散射的影响是必要的。 In the treatment planning for arc intensity modulated radiation therapy, because many irradiation directions are involved, the computing time and storage space needed for calculating beamlet dose matrices in optimization is quite heavy. In order to improve the computation efficiency, the simplified dose calculation is often used for the calculation of the dose matrices. Thus, it is deserved to study how this simplification could influence the quality of the treatment plan. In this paper, a simulation and a clinical case are adopted. Using the primary dose calculation model without taking into account the scattering effect to generate the dose matrices of beamlets, the optimization for beam intensity profile are firstly carried out. Then, based on the obtained intensity profile, the dose distributions are recalculated by using the primary dose calculation model and the differential convolution superposition dose calculation model which is more accurate but more time consuming. By comparing dose distributions obtained by this two models, the influence of using simplified model for dose matrix calculation on beam profile optimization is studied. The results demonstrate that when the beam number is large(corresponding to the arc modulated radiation), using the simplified model for the calculation of dose matrix of beamlets will reduce the quality of dose distribution greatly comparing with the expected dose distribution quality. Thus it is very necessary to correctly take into account the scattering effect in beam profile optimization for the arc intensity modulated radiation therapy.