Multi-hybrid method for investigation of EM scattering from inhomogeneous object above a dielectric rough surface

An iterative strategy combining Kirchhoff approximation(KA) with the hybrid finite element-boundary integral(FE-BI) method is presented in this paper to study the interactions between the inhomogeneous object and the underlying rough surface.KA is applied to study scattering from underlying rough surfaces,whereas FE-BI deals with scattering from the above target.Both two methods use updated excitation sources.Huygens equivalence principle and an iterative strategy are employed to consider the multi-scattering effects.This hybrid FE-BI-KA scheme is an improved and generalized version of previous hybrid Kirchhoff approximation-method of moments(KA-MoM).This newly presented hybrid method has the following advantages:(1) the feasibility of modeling multi-scale scattering problems(large scale underlying surface and small scale target);(2) low memory requirement as in hybrid KA-MoM;(3) the ability to deal with scattering from inhomogeneous(including coated or layered) scatterers above rough surfaces.The numerical results are given to evaluate the accuracy of the multi-hybrid technique;the computing time and memory requirements consumed in specific numerical simulation of FE-BI-KA are compared with those of MoM.The convergence performance is analyzed by studying the iteration number variation caused by related parameters.Then bistatic scattering from inhomogeneous object of different configurations above dielectric Gaussian rough surface is calculated and the influences of dielectric compositions and surface roughness on the scattering pattern are discussed.     

Sound velocities of compressed Fe3C from simultaneous synchrotron X‐ray diffraction and nuclear resonant scattering measurements

The applications of nuclear resonant scattering in laser‐heated diamond anvil cells have provided an important probe for the magnetic and vibrational properties of ⁵⁷Fe‐bearing materials under high pressure and high temperature. Synchrotron X‐ray diffraction is one of the most powerful tools for studying phase stability and equation of state over a wide range of pressure and temperature conditions. Recently an experimental capability has been developed for simultaneous nuclear resonant scattering and X‐ray diffraction measurements using synchrotron radiation. Here the application of this method to determine the sound velocities of compressed Fe₃C is shown. The X‐ray diffraction measurements allow detection of microscale impurities, phase transitions and chemical reactions upon compression or heating. They also provide information on sample pressure, grain size distribution and unit cell volume. By combining the Debye velocity extracted from the nuclear resonant inelastic X‐ray scattering measurements and the structure, density and elasticity data from the X‐ray diffraction measurements simultaneously obtained, more accurate sound velocity data can be derived. Our results on few‐crystal and powder samples indicate strong anisotropy in the sound velocities of Fe₃C under ambient conditions.     

Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal Field

The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal field is studied within the mean-field theory. The phase diagrams and magnetization curves are obtained by diagonalizing the Hamiltonian H_i of the Ising system numerically, and the first order-order phase transitions, the first order-disorder phase transitions, and the second-order phase transitions are discussed in details. Reentrant phenomenaoccur when the value of the transverse field is not zero and the reentrantdiagram is given.     

新型钙钛矿铜氧材料Sr8 CaRe3 Cu4 O24的亚铁磁和轨道有序性质

用密度泛函理论和格林函数方法研究了新型钙钛矿铜氧材料Sr8CaRe3Cu44O24的电子结构和磁性性质.所得结果与实验符合得很好,表明这种材料是绝缘体,每个元胞有1.0μB的磁矩.磁矩主要在Cu原子上,相邻Cu原子上的磁矩反平行排列.非磁的Re原子使得Cu上的d轨道有序排列,这导致这种材料有很高的居里温度(TC≈440K).基于密度泛函的结果,用海森伯模型描述了材料的电子自旋自由度,并用格林函数方法研究了材料有限温度下的磁性行为,所得结果和实验一致,表明自旋为1和自旋为1/2磁矩交错排列的海森伯模型可很好地描述这种材料的磁性性质.     

SiH3+O(3P)反应机理的理论研究

利用abinitio方法对SiH3+O(3P)反应进行了理论研究,在MP2/6-311+G(d,p)水平上优化得到了反应途径上的反应物、中间体、过渡态和产物的几何构型,并在QCISD(T)/6-311+G(d,p)水平上进行单点能计算.计算结果表明,SiH3+O(3P)→IM1→TS3→IM2→TS8→HOSi+H2为主反应通道,其他可能存在的次要产物有HSiOH+H、H2SiO+H和HSiO+H2.HOSi、HSiO和HSiOH(cis)还可能进一步解离生成SiO.另外,计算结果对SiH4+O(3P)反应机理中存在的争议给出了可能的解释,认为Withnall等人在实验中观察到的产物HSiOH、H2SiO和SiO并不是SiH4+O(3P)反应的直接产物,而是来自副反应SiH3+O(3P).     

高In组分InGaNAs/GaAs量子阱的生长及发光特性

采用分子束外延技术(MBE)在Ga As衬底上外延生长高In组分(40%)In Ga NAs/Ga As量子阱材料,工作波长覆盖1.3~1.55μm光纤通信波段。利用室温光致发光(PL)光谱研究了N原子并入的生长机制和In Ga NAs/Ga As量子阱的生长特性。结果表明:N组分增加会引入大量非辐射复合中心;随着生长温度从480℃升高到580℃,N摩尔分数从2%迅速下降到0.2%;N并入组分几乎不受In组分和As压的影响,黏附系数接近1;生长温度在410℃、Ⅴ/Ⅲ束流比在25左右时,In_(0.4)Ga_(0.6)N_(0.01)As_(0.99)/Ga As量子阱PL发光强度最大,缺陷和位错最少;高生长速率可以获得较短的表面迁移长度和较好的晶体质量。     

基于可见光谱的古代壁画颜料无损鉴别方法

矿物颜料是古代壁画显色的物质基础,其可见光谱反映自身物质和物理属性。不同颜料对可见光吸收特性的差异导致光谱曲线形状不同,同一种颜料因粒径等级差异引起光谱曲线幅值的规律性变化。依据矿物颜料上述特性,提出一种基于可见光谱的古代壁画颜料无损鉴别方法,通过光谱归一化方法实现不同粒径等级的同一颜料光谱曲线叠合,去除颜料粒径等级对光谱曲线幅值变化的影响,然后提取表征光谱曲线在各波段增减性和凹凸性的一阶与二阶导数特征,与光谱曲线组合得到颜料物质属性鉴别的光谱组合特征空间,以光谱角和欧式距离为基础构建评价指标,计算待鉴别颜料与数据库参考样本在光谱特征空间中的匹配误差(ME),实现颜料物质属性的鉴别。通过构建矿物颜料平均粒径大小和光谱反射率均值之间关系函数,实现颜料平均粒径大小的鉴别。基于构建的古代壁画常用颜料光谱数据库,以莫高窟壁画为对象,通过非接触式原位无损测量方法测量获得壁画颜料的可见光谱数据,对本文方法进行了验证,并以石绿和青金石颜料的鉴别结果为例,对古代壁画颜料使用技法、不同朝代颜料使用的差异性及原因进行了探讨。该方法将为更加全面深入研究和保护古代壁画提供有效的理论与方法支撑。     

川西平原还田秸秆腐解释放DOM的光谱特征

为掌握川西平原保护性耕作模式下还田秸秆腐解过程的光谱学特性,追溯还田秸秆对川西地区生态系统结构的影响过程,采集了该地区主要种植作物油菜、水稻的秸秆样本,利用紫外-可见吸收光谱(UV-Vis)、三维荧光光谱(3D-EEM)和傅里叶变换红外光谱(FTIR)三种光谱学表征手段,阐明秸秆各腐解阶段溶解性有机质(DOM)的光谱学特征,对比不同农作物秸秆快速淋溶阶段DOM(0~0.5 d)与腐解过程(0.5~90 d)的光谱学特征差异性,解析其变化机理。结果表明： 还田秸秆腐解过程中DOM的光谱学特性差异明显,伴随着芳香性物质的溶出、降解以及新生腐殖类物质的形成;由秸秆快速淋溶阶段释放DOM的E₂/E₃值最大而SUVA₂₅₄值最小可知该阶段溶出的物质芳香性和分子量相对较小;其芳香性组分的溶出主要集中在腐解前期(≤10 d),表现于该阶段E₂/E₃值逐渐减小且SUVA₂₅₄值逐渐增大,DOM中多糖峰、芳香C和酰胺峰变弱;难分解的纤维素、半纤维素和大分子蛋白质主要在腐解后期被降解;DOM中酚类、羰基类和羧酸类物质数量增加,使得DOM与有机污染物、金属离子的相互作用增强,进而调节农田土壤中污染物的迁移转化过程。本研究为川西平原秸秆还田的环境意义提供了基础数据和新证据,为该地区农业废弃物处理与资源化提供了依据。     

小波图像融合在太赫兹无损检测中的应用

玻璃纤维增强复合材料被广泛应用于航天、航空及其他军民各领域,它在制备和使用过程中通常会出现多个缺陷。太赫兹时域光谱成像技术有望成为玻璃纤维增强复合材料无损检测的有力补充手段。在太赫兹时域光谱成像过程中,可以选取时域或频域波形中的不同参数来进行成像。对于不同的缺陷,能够有效地对其进行检测的参数是不一样的。采用基于小波分解的图像融合方法将多幅不同参数获取的太赫兹反射图像结合起来,得到一幅包含所有缺陷信息的新图像。研究表明,基于小波分解的图像融合方法在太赫兹无损检测中的应用,能够获取单一参数成像无法检测的缺陷信息,为复合材料太赫兹图像后期处理提供了新的技术方法。