金属氢化物力学性能的第一性原理研究

采用第一性原理方法详细研究了氟化钙结构的多种金属氢化物MH₂ (M= La, Nd, Gd, Tb, Y, Dy, Ho, Er, Lu, Sc, Ti, Zr, Hf)的力学性质(弹性常数、体弹模量、剪切模量、杨氏模量).计算结果表明, MH₂ (M= La, Nd, Gd, Tb, Y, Dy, Ho, Er, Lu, Sc)在低温下具有稳定的氟化钙结构,其抵抗体积形变, 切应变和拉伸(或压缩)形变的能力从LaH₂, NdH₂, GdH₂, TbH₂, YH₂, DyH₂, HoH₂, ErH₂, LuH₂到ScH₂逐次递增, 而MH₂ (M= Ti, Zr, Hf)在低温下的氟化钙结构不稳定.通过对两种稳定的氢化物(TbH₂, ErH₂) 和两种不稳定的氢化物(TiH₂, HfH₂)的电子态密度以及差分电荷密度进行对比, 发现它们的稳定性与金属和氢之间的相互作用有密切关系.     

裂纹或气泡对熔石英损伤修复坑场调制的近场模拟

建立了含有裂纹或气泡的高斯型修复坑的3维模型, 用3维时域有限差分方法研究了熔石英后表面该类缺陷对355 nm入射激光的近场调制. 研究表明, 裂纹的调制明显大于气泡或者高斯坑本身, 因此为了抑制修复元件的初始损伤, 应尽量避免任何未修复的裂纹存在, 尤其是与入射光呈夹角约25°的裂纹, 同时应避免尺寸大于5 λ 的气泡存在. 当裂纹或气泡位于近表面层3 λ 以内且靠近修复坑环边缘时, 对场的调制最明显. 随着侧移的增加, 近表面区缺陷诱导场叠加, 强点总数涨落较大且易形成极大峰值, 特别是含有裂纹的情形; 远表面区强点总数逐渐增大并趋于稳定. 随着嵌深的增加, 强点的数目大体呈减弱趋势, 当嵌深大于3 λ 时, 逐渐趋于平缓振荡. 如果裂纹或气泡位于坑点正下方几个波长内, 激光辐照下其效果相当于延长了高斯坑的深度.     

Z箍缩Al等离子体发射谱的非局域平衡模拟

采用FAC (flexible atomic code)程序, 在细致能级层次计算等离子体原子结构参数和等离子体中各种原子物理过程的基础上, 建立了等离子体中各种能级布居的速率方程, 其中考虑了等离子体中各种原子物理过程的影响. 通过求解基于细致能级的速率方程, 计算了Z箍缩产生的Al等离子体辐射的细致能谱结构, 对实验谱进行了辨认和归类, 并对实验测量谱的成分做了简单分析. 关键词： Z箍缩 细致能级 非局域热动平衡 速率方程     

苯并[a]芘生物标志物3-羟基苯并[a]芘研究进展

 苯并[a]芘(B[a]P)是卷烟烟气中的重要有害成分,其在人体内产生的代谢物3-羟基苯并[a]芘(3-OHB[a]P),可作为B[a]P接触生物标志物用于区分不同暴露剂量人群(如吸烟者和非吸烟者,职业暴露和普通人群)及预测可能的作用机制。本文对B[a]P的危害性、3-OHB[a]P来源及检测方法进行了综述;并从3-OHB[a]P研究存在的问题和现状出发,对其在感受烟气和普通人群中进行生物监测的应用进行了展望。     

Rear-surface light intensification caused by Hertzian-conical crack in 355-nm silica optics

Theoretical studies show that the Hertzian-conical crack can be considered to be composed of double cone faces for simplification. In the present study, the three-dimensional finite-difference time-domain method is employed to quantify the electric-field distribution within the subsurface in the presence of such a defect under the normal incidence irradiation. Both impurities (inside the crack) and the chemical etching have been investigated. The results show that the maximum electric field amplitude |E| _max is 9.57374 V/m when the relative dielectric constant of transparent impurity equals 8.5. And the near-field modulation will be improved if the crack filled with remainder polishing powders or water vapor/drops. Meanwhile, the laser-induced initial damage is moving to the glass-air surface. In the etched section, the magnitude of intensification is strongly dependent on the inclination angle θ. There will be a highest modulation when θ is around π /6, and the maximum value of |E| _max is 18.57314 V/m. When θ ranges from π /8 to π /4, the light intensity enhancement factor can easily be larger than 100, and the modulation follows a decreasing trend. On the other hand, the modulation curves become smooth when θ > π /4 or θ < π /8.     

Numerical simulation of the modulation to incident laser by the repaired damage site in a fused silica subsurface

One of the main factors of laser induced damage is the modulation to incident laser which is caused by the defect in the subsurface of the fused silica.In this work,the repaired damage site irradiated by CO 2 laser is simplified to a Gaussian rotation according to the corresponding experimental results.Then,the three-dimensional finite-difference time-domain method is employed to simulate the electric field intensity distribution in the vicinity of this kind of defect in fused silica front subsurface.The simulated results show that the modulation is notable,the E max is about 2.6 times the irradiated electric field intensity in the fused silica with the damage site (the width is 1.5 μm and depth is 2.3 μm) though the damage site is repaired by CO 2 laser.The phenomenon and the theoretical result of the annular laser enhancement existed on the rear surface are first verified effectively,which agrees well with the corresponding experimental results.The relations between the maximal electric field intensity in fused silica with defect depth and width are given respectively.Meanwhile,the corresponding physical mechanism is analysed theoretically in detail.     

Optical and magnetic properties of nitrogen ion implanted MgO single crystal

The microstructure,optical property and magnetism of nitrogen ion implanted single MgO crystals are studied. A parallel investigation is also performed in an iron ion implanted single MgO sample as a reference. Large structural,optical and magnetic differences are obtained between the nitrogen and iron implanted samples. Room temperature ferromagnetism with a fairly large coercivity field of 300 Oe (1Oe=79.5775 A/m),a remanence of 38% and a slightly changed optical absorption is obtained in the sample implanted using nitrogen with a dose of 1×1018 ions/cm2 . Tran- sition metal contamination and defects induced magnetism can be excluded when compared with those of the iron ion implanted sample,and the nitrogen doping is considered to be the main origin of ferromagnetism.     

反射式热透镜时变信号测量固体热扩散率的研究

介绍了采用反射式热透镜时变信号测量固体热扩散率的一种简便方法,该方法结合表面热透镜技术原理,采用表面透镜的动态变化和反射的探测光发散的幅度来确定固体的热扩散率,相对于传统的热扩散率测量方法要快捷简单。对较大范围的一系列物质的热学特性进行了实验研究,证明了其实用性。     

FAAS测定十味平性活血化淤中药中Fe、Cu、Zn、Mn的含量

为揭示中药药性本质,用FAAS测定并比较了十味平性活血化淤中药中微量元素Fe、Cu、Zn和Mn的含量。结果表明,十味活血化淤中药均含有Fe、Cu、Zn、Mn等4种元素,其中Fe、Cu、Zn、Mn的含量范围分别为0．0416～1．2977,0．0025—0．0297,0．2100～0．1501,0．0071～0．7380μg·g^-1。方法加标回收率为98．7％～100．5％,RSD≤2．45％（n=6）。实验方法简便可行,测定结果准确可靠,为后续研究提供了基础数据。     

野百合的组织培养研究

对采自大量子河森林公园的野百合进行鳞片诱导和快速繁殖组织培养研究.结果表明:鳞片下部可直接诱导生芽、生根,是初代培养的最佳外植体;6-BA浓度为0.5mg/L,NAA浓度分别为0.05mg/L,L和0.1mg/L有较高的芽诱导率;在NAA:6-BA=1:20的培养基中愈伤组织诱导结果较好;诱导鳞片生根的6-BA浓度不宜过高,0.5mg/L较适宜生根;鳞片凹面接触培养基仅有愈伤组织形成,凸面接触培养基可产生鳞芽;用低浓度(0.1mg/L～0.5mg/L)IAA诱导生根效果比NAA好;以1/2锯末+1/2洁净河沙为栽培基质的移栽苗长势最好.