电子辐照下聚合物介质深层充电现象研究

空间辐射环境中,聚合物介质的深层充放电效应是威胁航天器安全的重要因素之一.文中在Chudleigh和von Berlepsch所发展的电位衰减模型基础上引入传输电流项,考虑了电子入射引起的感应电导率和感应电场的影响,提出了新的分析研究介质材料深层充电规律和特征的模型.通过该模型,分析了不同辐射条件下介质的表面电位、内部电荷与电场分布的变化,并设计实验及援引其他实验数据对模型分析结果进行验证.分析和实验结果表明,聚合物介质在深层充电过程中的平衡电位随着入射电子束流强度和介质电阻率的增加而增大,决定深层充电平 关键词： 深层充电 电荷传输模型 电子束 聚合物     

Charging dynamics of a polymer due to electron irradiation： A simultaneous scattering-transport model and preliminary results

<正>We present a novel numerical model and simulate preliminarily the charging process of a polymer subjected to electron irradiation of several 10 keV.The model includes the simultaneous processes of electron scattering and ambipolar transport and the influence of a self-consistent electric field on the scattering distribution of electrons.The dynamic spatial distribution of charges is obtained and validated by existing experimental data.Our simulations show that excess negative charges are concentrated near the edge of the electron range.However,the formed region of high charge density may extend to the surface and bottom of a kapton sample,due to the effects of the electric field on electron scattering and charge transport,respectively.Charge trapping is then demonstrated to significantly influence the charge motion.The charge distribution can be extended to the bottom as the trap density decreases.Charge accumulation is therefore balanced by the appearance and increase of leakage current.Accordingly,our model and numerical simulation provide a comprehensive insight into the charging dynamics of a polymer irradiated by electrons in the complex space environment.     

电子辐照聚合物带电特性多参数共同作用的数值模拟

电子辐照聚合物样品的带电特性是扫描电子显微镜成像、电子束探针微分析以及空间器件辐照效应等领域的一个重要研究课题. 通过建立基于蒙特卡罗方法的电子散射和时域有限差分法的电子输运的数值模型, 并采用高效的多线程并行计算, 模拟了电子非透射辐照聚合物样品的带电特性, 得到了带电稳态下的样品底部泄漏电流密度、表面负电位以及样品总电荷密度等带电特征量受入射电子能量、入射电流密度、样品材料的电子迁移率、样品厚度等相关参数共同作用的影响. 结果表明, 一个参数的变化使表面负电位增强时, 其他参数对负电位的影响将增强. 样品的带电稳态特征量在同一个电流平衡的模式下受参数影响的变化是单调的. 当电流平衡模式发生变化时, 如在入射电子能量较低的条件下, 样品内部的总电荷量会随着样品厚度的增大而先增加后减小, 出现局部极大值. 样品底部的泄漏电流密度随着入射电流密度的增大而近线性成比例地增大. 研究结果对于揭示电子辐照聚合物的带电规律及微观机理、预测不同条件下的样品带电状态具有重要科学意义.     

电子辐照下聚合物介质内部放电模型研究

空间电子辐照环境中,聚合物介质充放电现象是威胁航天器安全的重要因素. 传统航天器介质充放电模型仅能分析材料充电过程,缺乏对放电前后介质电位残余情况与放电脉冲强弱的评估. 本文通过引入介质放电电导率,在数值积分 充电模型基础上建立同时描述航天器介质内部充电和放电过程的新模型,并将模型计算结果与实验数据进行比较,验证了所构建的模型. 模型分析结果表明,聚合物介质放电残余电位与放电电流脉冲宽度随着样品电阻率的增加而增大,放电电流强度随着临界电场强度和充电时间的增加而增强,其增幅随着辐照电子束流强度的增加而增大. 关键词： 放电模型 内部放电 电子辐照 航天器介质     

非聚焦电子束照射SiO2薄膜带电效应

采用考虑电子散射、俘获、输运和自洽场的三维数值模型, 模拟了低能非聚焦电子束照射接地SiO₂薄膜的带电效应. 结果表明, 由于电子的迁移和扩散, 电子会渡越散射区域产生负空间电荷分布. 空间电荷呈现在散射区域内为正, 区域外为负的交替分布特性. 对于薄膜负带电, 电子会输运至导电衬底形成泄漏电流, 其暂态过程随泄漏电流的增加趋于平衡. 而正带电暂态过程随返回二次电子的增多而趋于平衡. 在平衡态时, 负带电表面电位随薄膜厚度、陷阱密度的增大而降低, 随电子迁移率、薄膜介电常数的增大而升高;而正带电表面电位受它们影响较小.     

低能电子束照射接地绝缘薄膜的负带电过程

为揭示低能电子束照射接地绝缘薄膜的负带电过程及其机理,建立了同时考虑电子散射与电子输运的计算模型,综合Monte Carlo方法和有限差分法进行了数值模拟,获得了内部空间电荷、泄漏电流和表面电位随电子束照射的演化规律.结果表明,入射电子因迁移、扩散效应会超越通常的散射区域产生负空间电荷分布,并经过一定的渡越时间后到达接地基板,形成泄漏电流,负带电暂态过程则随着泄漏电流的增加而趋于平衡.在平衡状态下,泄漏电流随电子束能量和电流而增大;薄膜净负电荷量和表面电位随膜厚而增加、随电子迁移率的增大而降低,随着电子束 关键词： 绝缘薄膜 电子束照射 带电效应 数值模拟     

One-dimensional migration of interstitial clusters in SUS316L and its model alloys under electron irradiation

The one-dimensional (1D) migration of interstitial clusters in austenitic stainless steel SUS316L and its model alloys, namely, Fe–18Cr–13Ni, Fe–18Cr–13Ni–0.012C, and Fe–18Cr–13Ni–1.7Mn (mass %), was examined using in situ observation by high-voltage electron microscopy. Such 1D migration was confirmed to occur along the ?110? direction at irregular intervals in all these alloys under 1250-kV electron irradiation at room temperature. The frequency of 1D migration was found proportional to electron beam intensity, and was about 1/10 that in high-purity iron under the same irradiation intensity. The distance of 1D migration in the four alloys was less than 10?nm, which was much shorter than that in high-purity iron. No clear difference in the frequency or distance of 1D migration was observed among the four alloys, suggesting that minor solute/impurity elements have no apparent effect on 1D migration in SUS316L.     

分子动力学模拟钠硼硅酸盐玻璃电子辐照诱导的结构演化效应

钠硼硅酸盐玻璃作为高放射废物玻璃固化体的候选材料之一,已有大量实验对该类玻璃开展了电子或重离子的辐照效应研究.然而,在理论计算与模拟方面的工作却很少,目前主要集中于重离子的辐照效应,对电子的辐照效应的模拟尚未见报道.本文利用分子动力学工具提出一种新的方法,以实现对电子辐照诱导的玻璃结构演化进行模拟.该方法基于实验中玻璃的结构变化特点,即实验中的拉曼结果已经证实:在大剂量的电子辐照后的玻璃中存在分子氧的事实,由于这些分子氧不会与其他粒子发生相互作用,因而可以通过从体系中逐步地移除一定数量氧原子的方式,以达到模拟大剂量电子辐照的情形,进而得到电子辐照后的玻璃的结构信息.模拟结果显示:随着移除氧原子的数量增加,玻璃中的Si—O—Si平均键角逐渐减小;而且玻璃中的小环数量会因氧的逐渐减少而逐渐增加;玻璃中部分[BO4]结构会转变为[BO3]结构,最终这种转变会达到饱和;大量移除氧之后,玻璃中的钠元素也出现明显的相分离.这些模拟辐照的玻璃结构特性能较好地与实验中的硼硅酸盐玻璃电子辐照诱导的结构变化符合.因此,本文提出的方法有望为通过分子动力学模拟硼硅酸盐玻璃的电子辐照效应提供新思路.     

Transmission electron microscopy of single wall carbon nanotube/polymer nanocomposites: A first‐principles study

The physics of high resolution transmission electron microscopy (HRTEM) image formation and electron diffraction of single wall carbon nanotubes (SWCNTs) in a polymer matrix was investigated theoretically on the basis of the multislice method. The effect of the nanocomposite thickness on both image contrast and typical electron diffraction reflections of the nanofillers was explored. The implications of the results on the experimental applicability to study dispersion, chirality and diameter of nanofillers are discussed. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Athermal migration of vacancies in iron and copper induced by electron irradiation

Abstract

Irradiation with high-energy particles induces athermal migration of point defects, which affects defect reactions at low temperatures where thermal migration is negligible. We conducted molecular dynamics simulations of vacancy migration in iron and copper driven by recoil energies under electron irradiation in a high-voltage electron microscope. Minimum kinetic energy required for migration was about 0.8 and 1.0 eV in iron and copper at 20 K, which was slightly higher than the activation energy for vacancy migration. Around the minimum energy, the migration succeeded only when a first nearest neighbour (1NN) atom received the kinetic energy towards the vacancy. The migration was induced by higher kinetic energies even with larger deflection angles. Above several electron-volts and a few 10s of electron-volts, vacancies migrated directly to 2NN and 3NN sites, respectively. Vacancy migration had complicated directional dependence at higher kinetic energies through multiple collisions and replacement of atoms. The probability of vacancy migration increased with the kinetic energy and remained around 0.3–0.5 jumps per recoil event for 20–100 eV. At higher temperatures, thermal energies slightly increased the probability for kinetic energies less than 1.5 eV. The cross section of vacancy migration was 3040 and 2940 barns for 1NN atoms in iron and copper under irradiation with 1.25 MV electrons at 20 K: the previous result was overestimated by about five times.     

质子与中子辐照对电荷耦合器件暗信号参数的影响及其效应分析

对科学级电荷耦合器件(charge-coupled device, CCD)进行了质子和中子辐照试验及退火试验, 应用蒙特卡洛方法计算了质子和中子在CCD中的能量沉积, 分析了器件的辐射损伤机理. 仿真计算了N⁺埋层内沉积的位移损伤剂量, 辐照与退火试验过程中主要考察暗信号的变化规律. 研究结果显示, 质子与中子辐照均会引发暗信号退化, 其退化的规律与位移损伤剂量变化一致; 退火后, 质子辐照所致CCD暗信号大幅度恢复, 其体暗信号增加量占总暗信号增加量的比例最多为22%; 中子辐照引发的暗信号增长主要为体暗信号. 质子和中子在N⁺埋层产生相同位移损伤剂量的情况下, 两者导致的体暗信号增长量相同, 质子与中子辐照产生的体缺陷对体暗信号增长的贡献是同质的.     

4H-SiC NMOS电子、质子辐照数值模拟

分析了高能电子、质子对4H-SiC的损伤机理,建立了4H-SiC NMOS器件物理模型。电子、质子辐照效应模型。应用ISE-TCAD软件进行数值模拟计算,得出在能量为2.5 MeV、注量为5×1013 cm-2的电子辐照及能量为6.5 MeV、注量为2×1014 cm-2的质子辐照下,4H-SiC NMOS转移特性曲线和亚阈值漏电流曲线变化的初步规律。数值模拟结果与相同条件下Si NMOS实验结果吻合较好。     

Oscillatory magnetoconductivity of a two-dimensional electron system due to phonon scattering

Summary A quantum-statistical theory of magnetophonon resonance oscillations in two-dimensional systems has been developed, starting from the resolvent representation of Kubo's formula and its proper connected diagram expansion. Non-polar and polar optical-phonon scattering has been considered and the results show, as anticipated based on the physical considerations and experimental observations, conductivity oscillations as a function of magnetic field with the magnetophonon resonances occurring at the phonon frequencies {ie1539-1} {ie1539-2}=cyclotron frequency). Divergences occurring in the magnetoconductivity near the magnetophonon resonances are removed by using the full resolvent operator in the tetradic self-energy operator of an electron. These additional terms provide necessary damping of the magnetophonon resonance oscillations. The present results are also shown to be qualitatively similar to those obtained by others using quantum Boltzmann's equation approach to quantum transport theory.     

4H-SiC NMOS电子、质子辐照数值模拟

 分析了高能电子、质子对4H-SiC的损伤机理,建立了4H-SiC NMOS器件物理模型。电子、质子辐照效应模型。应用ISE-TCAD软件进行数值模拟计算,得出在能量为2.5 MeV、注量为5×10¹³ cm^-2的电子辐照及能量为6.5 MeV、注量为2×10¹⁴ cm^-2的质子辐照下,4H-SiC NMOS转移特性曲线和亚阈值漏电流曲线变化的初步规律。数值模拟结果与相同条件下Si NMOS实验结果吻合较好。     

Static and dynamic properties of grafted ring polymer: Molecular dynamics simulation

The static and dynamic properties of a system of end-grafted flexible ring polymer chains grafted to a flat substrate and exposed to a good solvent are studied by using a molecular dynamics method. The monomers are described by a coarse-grained bead-spring model. Varying the grafting density ρ and the degree of polymerization or chain length N, we obtain the density profiles of monomers, study the structural properties of the chain (radius of gyration, bond orientational parameters, etc.), and also present the dynamic characteristics such as chain energy and bond force. Compared with a linear polymer brush, the ring polymer brush exhibits different static and dynamic properties for moderate or short chain length, while it behaves like linear polymer brush in the regime of long chain length.     

Quantum dynamics of charge transfer on the one-dimensional lattice:Wave packet spreading and recurrence

The wave function temporal evolution on the one-dimensional(1D) lattice is considered in the tight-binding approximation. The lattice consists of N equal sites and one impurity site(donor). The donor differs from other lattice sites by the on-site electron energy E and the intersite coupling C. The moving wave packet is formed from the wave function initially localized on the donor. The exact solution for the wave packet velocity and the shape is derived at different values E and C. The velocity has the maximal possible group velocity v = 2. The wave packet width grows with time ～ t1/3and its amplitude decreases ～ t-1/3. The wave packet reflects multiply from the lattice ends. Analytical expressions for the wave packet front propagation and recurrence are in good agreement with numeric simulations.     

Damage of low-energy ion irradiation on copper nanowire: molecular dynamics simulation

Physical and chemical phenomena of low-energy ion irradiation on solid surfaces have been studied systematically for many years, due to the wide applications in surface modification, ion implantation and thin-film growth. Recently the bombardment of nano-scale materials with low-energy ions gained much attention. Comared to bulk materials, nano-scale materials show different physical and chemical properties. In this article, we employed molecular dynamics simulations to study the damage caused by low-energy ion irradiation on copper nanowires. By simulating the ion bombardment of 5 different incident energies, namely, 1~keV, 2~keV, 3~keV, 4~keV and 5~keV, we found that the sputtering yield of the incident ion is linearly proportional to the energies of incident ions. Low-energy impacts mainly induce surface damage to the nanowires, and only a few bulk defects were observed. Surface vacancies and adatoms accumulated to form defect clusters on the surface, and their distribution are related to the type of crystal plane, e.g. surface vacancies prefer to stay on (100) plane, while adatoms prefer (110) plane. These results reveal that the size effect will influence the interaction between low-energy ion and nanowire.     

Analysis of microscopic parameters of surface charging in polymer caused by defocused electron beam irradiation

The relationship between microscopic parameters and polymer charging caused by defocused electron beam irradiation is investigated using a dynamic scattering-transport model. The dynamic charging process of an irradiated polymer using a defocused 30 keV electron beam is conducted. In this study, the space charge distribution with a 30 keV non-penetrating e-beam is negative and supported by some existing experimental data. The internal potential is negative, but relatively high near the surface, and it decreases to a maximum negative value at z = 6 μm and finally tend to 0 at the bottom of film. The leakage current and the surface potential behave similarly, and the secondary electron and leakage currents follow the charging equilibrium condition. The surface potential decreases with increasing beam current density, trap concentration, capture cross section, film thickness and electron–hole recombination rate, but with decreasing electron mobility and electron energy. The total charge density increases with increasing beam current density, trap concentration, capture cross section, film thickness and electron–hole recombination rate, but with decreasing electron mobility and electron energy. This study shows a comprehensive analysis of microscopic factors of surface charging characteristics in an electron-based surface microscopy and analysis.     

Kinetics of semidilute and dense polymer solution: the time dependence of single-chain dynamics

The single-chain motion of flexible bead polymer chains in solution was investigated taking into account hydrodynamic screening. The Oseen-like tensor was found within the Debye–Bueche–Brinkman effective-medium model, which describes the polymer solution. Two dynamical regimes in time scales were predicted: Zimm-like motion and Rouse-like motion. The time dependence of the hydrodynamic screening length was considered.