栅极调制纳米线的场增强因子计算

利用悬浮球模型和镜像电荷法计算了栅极调制纳米线的顶端表面电场,给出了场发射增强因子表达式β=1/2（3.5+L/r₀+W）,式中L与r₀分别是纳米线长度与顶端表面曲率半径,W是由栅孔半径R、阴极与栅极间距d以及纳米线自身几何参数所决定的函数．结果表明,纳米线长径比对场增强因子的影响很显著;当阴极与栅极间距较近时,场增强因子随d的增加而减小 关键词： 栅极调制纳米线 场增强因子 悬浮球     

混合漫射近似模型的漫反射理论及其模拟实验研究

研究了一个改进的漫射近似模型.该模型将漫射近似中的漫射系数D用描述P₃近似的漫射系数D_asym替代.推导了这个混合的漫射近似模型在单点源近似和外推边界条件下的反射率R_Hybrid(ρ)的解析表达式,比较了有效反照率a′对标准漫射近似R_DA(ρ)和R_Hybrid(ρ关键词： 漫射近似 P₃近似')" href="#">P₃近似 混合漫反射模型 强吸收     

H3正三角形和H4正四面体结构的变分计算

采用改进排列通道量子力学(Modified Arrangement Channel Quantum Mechanics,简称MACQM)方法和变分法,计算了H₃体系正三角形和H₄体系的正四面体结构的能量曲线.当H₃体系原子核的间距R=1.74a₀,波函数变分参数α=1.03时,体系能量有最低值-1.58161 a.u.;当H₄体系原子核的间距R=1.60a₀,波函数变分参数α=1.07时,体系能量有最低值-2.28097 a.u.,这表明H₃体系的正三角形构型和H₄的正四面体结构是可以稳定存在的.     

单根纳米导线场发射增强因子的计算

利用镜像电荷模型，对静电场中单根纳米导线尖端的电势和电场进行计算，得到纳米导线发射体尖端场增强因子表达式为β０＝h/ρ+35. 若考虑极板间距对场增强因子的影响，则场增强因子的表达式调整为β＝〖SX(〗h〖〗ρ〖SX)〗+35+A〖JB((〗〖SX(〗h〖〗d〖SX)〗〖JB))〗3,其中h，ρ分别为纳米导线的长度和半径，d为极板间距，A为常数. 结果表明纳米导线的长径比对场增强因子的影响最显著，而极板间距对纳米导线的场增强因子只有微弱影响，随极板距离的增加而减小. 关键词： 纳米导线 场发射 增强因子 极板间距     

平面撞击流偏斜振荡的实验研究与大涡模拟

采用实验和大涡模拟对喷嘴出口雷诺数(Re= U₀ hρ/μ, 其中 U₀为出口平均速度, h为平面喷嘴出口狭缝高度, ρ和 μ分别为流体的密度与动力黏度)为25–10000, 喷嘴间距 L为4h–40h范围内的平面撞击流偏斜振荡特性进行了研究. 通过对平面撞击流模拟和实验的结果进行比较, 验证了数值模拟的可靠性, 并对平面撞击流发生偏斜振荡的无因次参数(喷嘴间距 L/h与出口雷诺数 Re)范围进行划分, 重点考察了湍流平面撞击流的偏斜振荡周期及速度-压力变化特征. 研究结果表明大涡模拟能对平面撞击流的偏斜振荡进行有效预报; 当平面撞击流发生周期性偏斜振荡时, 特定点的压力与速度也发生周期性变化, 且变化周期与偏斜振荡周期一致, 偏斜振荡本质上是由速度-压力的周期性变化和转换引起的. 关键词： 平面撞击流 偏斜振荡 大涡模拟     

纳米碳管阵列场发射电流密度的理论数值优化

以纳米碳管阵列为研究对象,利用镜像悬浮球模型及Fowler-Nordheim电流密度公式,对纳米碳管阵列的场发射电流密度进行计算,进而综合考虑场发射增强因子及场发射电流密度对纳米碳管阵列场发射性能进行定量优化.参考碳管阵列场发射电流密度最大值及场发射增强因子,表明当纳米碳管阵列间距为碳管高度十分之一时,纳米碳管阵列的场发射性能得到优化.与以前的理论估算结果相比,优化的阵列间距进一步减小.当纳米碳管间距过大,场发射增强因子增加,而场发射电流密度会在更大程度上减小;当纳米碳管密度较大时,场发射增强因子受到静电 关键词： 纳米碳管 场发射 增强因子 电流密度     

纳米碳管阵列场增强因子的计算

采用悬浮球模型，结合对称的镜像电荷层方法，对静电场中纳米碳管阵列的场增强因子进行了计算，并在考虑极板间距的情况下，对其计算结果做了修正.结果表明：纳米碳管阵列的间距对纳米碳管阵列的场发射性能影响很大.当纳米碳管阵列中碳管间距小于碳管高度时，场增强因子随间距的减小而急剧减小；而当碳管间距显著大于碳管高度时，场增强因子几乎不变.但当考虑阴阳极之间单位面积通过的场发射电流时，可论证当管间距与管高度相若时，能使场发射电流密度最佳(最大).另外，极板间距对场增强因子的影响很小，但是可以通过减小极板间距，来降低纳米碳管作为场发射体的场发射的开启电压，优化纳米碳管的场发射性能. 关键词： 纳米碳管阵列 场增强因子 开启电压     

光解苯半醌自由基的CIDEP谱

用高时间分辨ESR谱仪实验给出了光解对苯醌产生的苯半醌自由基的CIDEP发射谱.用三重态机理,同时考虑了自由基对机理的影响,从理论上分析了极化强度,计算出了增强因子V(Ⅰ)=-0.66,V(R)=0.2,一级反应速率k_1,A=0.05/μs,二级反应速率β=0.02/μs,横向和纵向弛豫时间T₁≈T₂=2.3μs.     

若干高精度恒稳的半显式差分格式

本文构造了解色散方程u₁=au_xxx的若干三层恒稳的半显式差分格式。第Ⅰ、Ⅱ类格式的局部截断误差的阶为O(τ²+h²+(τ²)/(h³));而第Ⅲ、Ⅳ类格式的局部截断误差的阶为O(τ²+h⁴+((τ)/(h))²+τh)。用判别稳定性的Von Neumann准则可证明:第Ⅰ、Ⅱ类格式及当参数α≤1时的第Ⅲ、Ⅳ类格式都是无条件稳定的,并且当必须的边界条件给定时它们可以显式地进行计算。     

Cu1-xHxZr2(PO4)3中Cu2+的EPR谱和局域结构研究

本文采用Cu²⁺斜方对称电子顺磁共振（EPR）参量的高阶微扰公式计算了晶体Cu_1-xH_xZr₂（PO₄）₃中Cu²⁺的EPR参量（g因子和超精细结构常数A因子）．计算结果表明,晶体Cu_1-xH_xZr₂（PO₄）₃中[CuO₆]^10-基团的Cu-O键长分别为R_||≈0.241 nm,R_⊥≈0.215 nm,平面键角τ≈80.1°;由于对称性降低,中心金属离子基态²A_1g（θ）和²A_1g（ε）有一定程度混合,混合系数α≈0.995．所得EPR谱图的理论计算值与实验数据符合得很好．     

带栅极纳米线冷阴极的场增强因子研究

场增强因子是体现场发射冷阴极器件性能优劣的重要参数.利用静电场理论给出了一种带栅极(normal-gated)纳米线冷阴极的场增强因子表示式β=k₁{N²·(L-d₁)²+［1/k₁+(L-d₁)］²}^1/2，且进一步分析了几何参数对场增强因子的影响.结果表明，纳米线突出栅孔的部分(L-d₁)与栅孔半径越大，则场增强因子越大；而纳米线半径越小，则场增强因子越大；当L远大于d₁时满足β∝L/r₀.其中N=N₁(k₁r₀)/N₀(k₁r₀)，N₀(k₁r₀)和N₁(k₁r₀)分别代表零阶和一阶Neumann函数，k₁=0.8936/R，R为栅孔半径，L为纳米线长度，r₀为纳米线半径，d₁表示阴极与栅极间距.     

Micromagnetic simulation on the dynamic susceptibility spectra of cobalt nanowires arrays: the effect of magnetostatic interaction

<正>Micromagnetic simulations have been performed to obtain the dynamic susceptibility spectra of 4×4 cobalt nanowire arrays with different spatial configurations and geometries.The susceptibility spectra of isolated wires have also been simulated for comparison purposes.It is found that the susceptibility spectrum of nanowire array bears a lot of similarities to that of an isolated wire,such as the occurrences of the edge mode and the bulk resonance mode. The simulation results also reveal that the susceptibility spectrum of nanowire array behaves like that of single isolated wire as the interwire distance grows to an extent,which is believed due to the decrease of magnetostatic interaction among nanowires,and can be further confirmed by the static magnetic hysteresis simulations.In comparison with single nanowire,magnetostatic interaction may increase or decrease the resonance frequencies of nanowire arrays assuming a certain interwire distance when the length of array increases.Our simulation results are also analysed by employing the Kittel equation and recent theoretical studies.     

Probing Field Emission from Boron Carbide Nanowires

High density boron carbide nanowires are grown by an improved carbon thermal reduction technique. Transmission electron microscopy and electron energy lose spectroscopy of the sample show that the synthesized nanowires are B4 C with good crystallization. The field emission measurement for an individual boron nanowire is performed by using a Pt tip installed in the focused ion beam system. A field emission current with enhancement factor of 10^6 is observed and the evolution process during emission is also carefully studied. Furthermore, a two-step field emission with stable emission current density is found from the high-density nanowire film. Our results together suggest that boron carbide nanowires are promising candidates for electron emission nanodevices.     

Stress and dislocations at cross-sectional heterojunctions in a cylindrical nanowire

The limit of crystal lattice coherency of a cross-sectional heteroepitaxial junction in a nanowire is calculated in terms of the critical nanowire radius R _c, based on a general calculation of elastic stresses in a long cylindrical rod. R _c is derived from the kinetics of a possible misfit dislocation which can slip in the heterointerface and rest in an energetic minimum, if it occurs at all, regardless of whether it is of zero total energy as assumed in the literature. A close comparison is made with the known models for the critical radius of a dislocation half-loop and the critical thickness h _c of a heteroepitaxial film, where all models are refined by including the energy of the slip step formed or accidentally annihilated. For a symmetrical, abrupt heterojunction, we obtain R _c as a lower and, therefore, quite safe limit, about five times larger than h _c of a comparable thin film. An even larger R _c is found for junctions of finite transition width instead of abrupt transitions. It is estimated that nucleating the dislocations in a perfect nanowire is difficult, in agrement with experimental reports of dislocation-free nanowires with R well above the theoretical R _c.     

Investigation of the fill factor of dye-sensitized solar cell based on ZnO nanowire arrays

The fill factor of dye-sensitized solar cells based on the ZnO nanowire array is very low, which is usually ascribed to a rapid charge recombination. In this article, the influence on the fill factor of ZnO nanowire array cell is investigated and discussed by comparing dark current and decay rate of open circuit potential of the ZnO nanowire array cell with those of the ZnO nanoparticle cell, TiO₂ nanoparticle cell and TiO₂-coated ZnO nanowire array cell. The results demonstrate that the low fill factor of the ZnO nanowire array cell is largely caused by a rapid decrease of electron injection efficiency rather than a rapid charge recombination, which is decided by the absorption nature of Ru-complexed dye molecules on ZnO surface and repellency of radial electric field. The fill factor of the ZnO nanowire array cell can be improved by coating ZnO nanowires with a wide band gap semiconductor material or metal oxide insulator.     

氧化钨纳米线-单壁碳纳米管复合型气敏元件的室温NO2敏感性能与机理

利用溶剂热法合成了一维的氧化钨纳米线, 通过掺入适量单壁碳纳米管(SWNT)制备了基于氧化钨纳米线-SWNT 复合结构的室温气敏元件并评价了其对NO₂气体的室温敏感性能. 利用X射线与扫描电子显微镜表征了材料的微结构, 结果表明, 合成的氧化钨纳米线具有单斜的W₁₈O₄₉结构, 复合材料中SWNT被包埋在氧化钨纳米线中间. 气敏性能测试结果表明, 氧化钨纳米线-SWNT复合结构气敏元件在室温下对NO₂气体表现出了高的灵敏度和超快的响应特性; 较低的SWNT掺入量对获得好的气敏性能有利. 分析了基于复合结构材料气敏元件的可能的气敏机理, 认为元件良好的室温敏感性能与SWNT掺入在复合结构材料中引入大量的贯穿气孔和p-n异质结有关.     

Contribution of magnetostatic interaction to magnetization reversal of Fe3Pt nanowires arrays: A micromagnetic simulation

Using the micromagnetic simulations, we have investigated the magnetization reversal and magnetostatic interaction of Fe₃Pt nanowires arrays with wire diameters lower than 40 nm. By changing the number of interacting nanowires, N, interwire distance, a, and wire diameter, D, the effects of magnetostatic interaction on coercivity and remanence are investigated in detail. According to the simulated results, the contribution to the stray field induced by surface perpendicular magnetization at the end of wires is established.     

The effect of substrate surface roughness on ZnO nanostructures growth

The ZnO nanowires have been synthesized using vapor-liquid-solid (VLS) process on Au catalyst thin film deposited on different substrates including Si(1 0 0), epi-Si(1 0 0), quartz and alumina. The influence of surface roughness of different substrates and two different environments (Ar + H₂ and N₂) on formation of ZnO nanostructures was investigated. According to AFM observations, the degree of surface roughness of the different substrates is an important factor to form Au islands for growing ZnO nanostructures (nanowires and nanobelts) with different diameters and lengths. Si substrate (without epi-taxy layer) was found that is the best substrate among Si (with epi-taxy layer), alumina and quartz, for the growth of ZnO nanowires with the uniformly small diameter. Scanning electron microscopy (SEM) reveals that different nanostructures including nanobelts, nanowires and microplates have been synthesized depending on types of substrates and gas flow. Observation by transmission electron microscopy (TEM) reveals that the nanostructures are grown by VLS mechanism. The field emission properties of ZnO nanowires grown on the Si(1 0 0) substrate, in various vacuum gaps, were characterized in a UHV chamber at room temperature. Field emission (FE) characterization shows that the turn-on field and the field enhancement factor (β) decrease and increases, respectively, when the vacuum gap (d) increase from 100 to 300 μm. The turn-on emission field and the enhancement factor of ZnO nanowires are found 10 V/μm and 1183 at the vacuum gap of 300 μm.