Study of the excitation properties of the Si3O2 cluster under an external electric field

The structure of the Si₃O_x (x=2, 3) cluster is investigated; we find that the geometry of Si₃O₂ is similar to that of Si₃O₃ except for the oxygen-deficient defect structure (Si-Si band) which exists only in the Si₃O₂ cluster. It is known that oxygen-deficient defects are used to explain visible luminescence (especially blue, purple and ultraviolet light) from silicon-based materials, which are directly bound up with the excited states of the molecules. Therefore the excitation properties of the two clusters are also studied. Our results show that the absorption spectrum of Si₃O₂ is concentrated in the visible light region. In contrast, the absorption spectrum of Si₃O₃ is mainly located in the ultraviolet light region. The calculations are perfectly consistent with experimental data and also support the theory of oxygen-deficient defects.     

厚壁管道周向导波检测技术实验研究

厚壁管道是火电机组四大管道系统的核心部件,将超声导波技术应用于厚壁管道的无损检测显得十分重要.首先确定厚壁管道检测的激励方式,优化选取适合厚壁管道检测的0.5MHz探头和楔形块角度为60°的斜探头组合.通过改变斜探头与外壁轴向缺陷之间周向距离,在一定范围内仍可检测到缺陷回波,且接收到的周向回波幅值变化不大,表明周向导波...     

Bauschinger and size effects in thin-film plasticity due to defect-energy of geometrical necessary dislocations

The Bauschinger and size effects in the thinfilm plasticity theory arising from the defect-energy of geometrically necessary dislocations (GNDs) are analytically investigated in this paper. Firstly, this defect-energy is deduced based on the elastic interactions of coupling dislocations (or pile-ups) moving on the closed neighboring slip plane. This energy is a quadratic function of the GNDs density, and includes an elastic interaction coefficient and an energetic length scale L. By incorporating it into the work- conjugate strain gradient plasticity theory of Gurtin, an energetic stress associated with this defect energy is obtained, which just plays the role of back stress in the kinematic hardening model. Then this back-stress hardening model is used to investigate the Bauschinger and size effects in the tension problem of single crystal Al films with passivation layers. The tension stress in the film shows a reverse dependence on the film thickness h. By comparing it with discrete-dislocation simulation results, the length scale L is determined, which is just several slip plane spacing, and accords well with our physical interpretation for the defect- energy. The Bauschinger effect after unloading is analyzed by combining this back-stress hardening model with a friction model. The effects of film thickness and pre-strain on the reversed plastic strain after unloading are quantified and qualitatively compared with experiment results.     

含诱导缺陷薄壁圆管耐撞性优化设计

运用移动最小二乘曲面拟合技术和遗传算法优化技术,建立一套完整的结构耐撞性优化设计技 术。设计了一个具有高效吸能能力的薄壁圆管结构含诱导缺陷薄壁圆管结构,给出了含缺陷薄壁圆管结 构耐撞性优化设计结果。结果显示,设计的薄壁圆管结构具有好的吸能效果,该结构设计简单,便于在结构设 计中使用。     

Characterizing the properties of ultrasonics propagating on the surface of materials with defect by Laser-ultrasonics method

A laser ultrasonics method is used to characterize the propagation properties of surface wave traveling on the surface of materials with sub-surface defect in 2D.Linear and nonlinear propagation properties of ultrasonics caused by the defects have been detected in experiment. A theoretical model is proposed and used to study the linear and nonlinear properties of ultrasonics caused by the defect.The numerical results indicate that the nonlinear ultrasonic wave will be excited when a finite amplitude ultrasonics propagates on the surface of materials with sub-surface defect.The theoretical analysis confirms that the nonlinear wave is caused by the "clapping"of the interface of defect instead of the mode conversions of ultrasonics.     

Preparation of a silicon micro-strip nuclear radiation detector by a two-step annealing process

The annealing process for boron implantation is a crucial step during large size nuclear radiation detector fabrication. It can reduce the lattice defects and the projection straggling. A two-step annealing process for boron implantation was developed instead of a one-step annealing process, and the reverse body resistance of a silicon micro-strip detector was significantly increased, which means that the performance of the detector was improved.     

含Stone-Wales缺陷zigzag型石墨烯纳米带的电学和光学性能研究

本文采用基于密度泛函理论的第一性原理对zigzag型石墨烯纳米带中含有不同Stone-Wales缺陷的电子结构特性和光学性能进行研究. 考虑了两种模型:不计电子自旋和考虑电子自旋的情况.研究发现:不计电子自旋情况下,含对称Stone-Wales缺陷的石墨烯纳米带在缺陷区域出现了凹凸不平的折皱构型,两种不同的Stone-Wales缺陷都引起了电荷的重新分布.考虑电子自旋时,Stone-Wales缺陷的引入对石墨烯纳米带自旋密度有显著影响,也引起了不同自旋的电子态密度的变化.进一步研究了纳米带的光学性能,发现 关键词： 石墨烯纳米带 Stone-Wales缺陷 电子结构 光学性能     

水热法制备注射器样纳米氧化锌场发射特性的研究

应用水热法制备了注射器样纳米结构氧化锌样品,室温下测量其真空场发射特性.根据测量数据,基于Fowler-Nordheim方程,估算了场发射效应增强因子,观察到增强因子随外加电压增加取值的两阶段性;结合样品的光致发光谱和能量散射谱,应用半导体材料中强场效应理论,结合场发射电流密度测量系统的串联电路等效,研究样品中空位对场发射特性影响机理.结果表明,制备过程中形成的锌、氧空位,在样品中产生了相当于杂质态的缺陷能级,缺陷能级与样品形貌共同作用,使样品较大的增强因子随场强增加而阶跃性下降.最后,用电化学沉淀法和气 关键词： 场发射 强场效应 缺陷态 串联等效     

LiNH2储氢材料中间隙H与掺杂原子交互作用对其释氢性能影响机理研究

采用基于密度泛函理论的赝势平面波第一性原理方法,研究了LiNH₂缺陷及其掺杂原子交互作用对其释氢影响.通过对其进行优化求得它们的局域最稳定结构并计算了含间隙H原子缺陷的LiNH₂及其掺杂合金的结合能、间隙缺陷形成能、态密度和电荷布居.结果表明: 系统结合能不能反映LiNH₂及其掺杂合金的释氢性质;平衡时,LiNH₂中有一定的间隙氢原子存在,Mg,Ti掺杂使形成能大大降低,大大增大了间隙氢的浓度. 间隙H原子在带隙引入了缺陷能级使带隙大大减小,提高释氢能力.间隙H原子导致[NH₂]^-中N-H原子间相互作用减弱,容易释氢.间隙H与[NH₂]^-中N存在共价作用,可以解释LiNH₂释氢反应中NH₃的放出.当存在掺杂时,N-H键的键强不均衡,部分较弱,部分较强,较弱的N-H键中H容易放出. 关键词： 储氢材料 第一性原理 缺陷 释氢机理     

退火处理Fe43Co43Hf7B6Cu1非晶合金的正电子湮没研究

对熔体急冷法制备的Fe₄₃Co₄₃Hf₇B₆Cu₁非晶合金进行了200,300,400和500 ℃保温30 min的退火处理,用正电子湮没寿命谱、X射线衍射、穆斯堡尔谱等方法研究了退火后试样的结构及结构缺陷变化.结果表明,在非晶合金的制备态,正电子主要在非晶基体相空位尺寸的自由体积中湮没,湮没寿命τ₁为158.4 ps,强度I₁关键词： 43Co₄₃Hf₇B₆Cu₁非晶')" href="#">Fe₄₃Co₄₃Hf₇B₆Cu₁非晶 退火处理 正电子湮没寿命 结构与结构缺陷