熔石英亚表面三维Hertz锥形划痕附近光强分布的数值模拟

熔石英亚表面划痕对入射激光的调制是导致光学材料损伤的主要因素.本文建立了熔石英后表面上三维Hertz锥形划痕模型,采用三维时域有限差分方法对划痕周围的电场强度进行了计算模拟,并分别讨论了划痕的深度、半径以及倾斜角度对入射光场调制作用的影响.结果表明：Hertz锥形划痕中心区域的电场增强效果最明显,最容易被辐照损伤;划痕的深度从λ变化到9.5λ的过程中,熔石英内的最大电场强度逐渐增大;半径小于15λ的Hertz锥形划痕较容易引起熔石英的损伤,当半径大于175λ时,熔石英内的最大电场强度都维持在2.5 V/m,不再受半径大小影响;当入射激光在划痕的内侧界面和熔石英后表面之间发生内全反射时,光场增强效果愈加明显. 关键词： 三维时域有限差分 Hertz锥形划痕 电场分布 数值模拟     

新型ZnO纳米针的双光子激射特性

室温下采用640nm的飞秒脉冲激光泵浦ZnO纳米针得到双光子诱导的光致发光谱。结合单光子下的研究结果,实验分析了双光子泵浦下样品随着受激能量增强产生的三种紫外发射行为并归结为自由激子自发辐射,激子-激子散射和电子空穴等离子体复合。双光子泵浦下ZnO纳米针的受激阈值是4.82GW/cm2,远小于其他ZnO微纳材料的双光子阈值(TW/cm2)。结果表明:这种新型的ZnO纳米针结构能更有效地产生双光子激射,这在纳米激光器方面将会有很大的应用前景。     

Ab initio Study of He Stability in hcp-Ti

Tile stability of He in hep-Ti is studied using the a5 initio method based on the density functional theory. The results indicate that a single He atom prefers to occupy the tetrahedral site rather than the octahedral site. The interaction of He defects with Ti atoms is employed to explain the relative stabilities of He point defects in hcp-Ti. The relative stability of He defects in hcp-Ti is useful for He clustering and bubble nucleation in metal tritides, which provides the basis for development of improved atomistic models.     

Optical and structural properties of Ge-ion-implanted fused silica after annealing in different ambient conditions

Ge+ ions are implanted into fused silica glass at room temperature and a fluence of 1×10 17 cm-2 . The as-implanted samples are annealed in O2, N2 and Ar atmospheres separately. Ge0 , GeO and GeO2 coexist in the as-implanted and annealed samples. Annealing in different atmospheres at 600℃ leads each composite to change its content. After annealing at 1000℃, there remains some amount of Ge 0 in the substrates. However, the content of Ge decreases due to out-diffusion. After annealing in N2 , Si–N composite is formed. The absorption peak of GeO appears at 240 nm after annealing in O2 atmosphere, and a new absorption peak occurs at 418 nm after annealing in N2 atmosphere, which is attributed to the Si–N composite. There is no absorption peak appearing after annealing in Ar atmosphere. Transmission electron microscopic images confirm the formation of Ge nanoparticles in the as-implanted sample and GeO 2 nanoparticles in the annealed sample. In the present study, the GeO content and the GeO2 content depend on annealing temperature and atmosphere. Three photoluminescence emission band peaks at 290, 385 and 415 nm appear after ion implantation and they become strong with the increase of annealing temperature below 700℃, and their photoluminescences recover to the values of as-grown samples after annealing at 700℃. Optical absorption and photoluminescence depend on the annealing temperature and atmosphere.     

General formula for phonon-assisted n-photon absorption in solids

A general formula for phonon-assisted n-photon absorption in solids is obtained by (n+1)-th order perturbation technique. The complicated calculation process for transition element of n-photon absorption is simply demonstrated by a diagram approach that is proposed in this work. We find that the transition element for the n-photon absorption has a simple form, i.e., it is just the first term of the n-th order fist kind Bessel function.     

Structural,electronic and magnetic properties of the Mn-Ni(110) c(2×2) surface alloy

<正>Using first-principles total energy method,we study the structural,the electronic and the magnetic properties of the MnNi(110) c(2×2) surface alloy.Paramagnetic,ferromagnetic,and antiferromagnetic surfaces in the top layer and the second layer are considered.It turns out that the substitutional alloy in the outermost layer with ferromagnetic surface is the most stable in all cases.The buckling of the Mn-Ni(110) c(2×2) surface alloy in the top layer is as large as 0.26 A(1 A=0.1 nm) and the weak rippling is 0.038 A in the third layer,in excellent agreement with experimental results.It is proved that the magnetism of Mn can stabilize this surface alloy.Electronic structures show a large magnetic splitting for the Mn atom,which is slightly higher than that of Mn-Ni(100) c(2×2) surface alloy(3.41 eV) due to the higher magnetic moment.A large magnetic moment for the Mn atom is predicted to be 3.81μB.We suggest the ferromagnetic order of the Mn moments and the ferromagnetic coupling to the Ni substrate,which confirms the experimental results.The magnetism of Mn is identified as the driving force of the large buckling and the work-function change.The comparison with the other magnetic surface alloys is also presented and some trends are predicted.     

以原位形成的磷酸铝骨架为模板制备纳米孔炭(英文)

以不同有机物(邻苯二酚、间苯二酚、对苯二酚、乙二醇、环己胺)为辅助炭源,通过直接炭化含柠檬酸及磷酸铝的复合物制备了一系列纳米孔炭材料(NC),采用多种表征手段研究了辅助炭源对最终炭材料性质的影响.结果表明,NC材料的结构和表面官能团性质随辅助炭源的变化而改变,其中以间苯二酚、对苯二酚、环己胺为辅助炭源制备的炭材料在空气氧化苯甲醇反应中表现有较高的催化活性.     

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     

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.