曲面目标量子雷达散射截面分析

为研究曲面目标的量子雷达散射截面(QRCS)特性,以圆柱曲面为数学模型,并根据光子与镜面物质相互作用的量子描述,分别引入单光子和双光子的概率波函数。基于经典雷达散射截面(CRCS)定义式,分别推导了单光子和双光子的QRCS解析式,并对多光子的QRCS定义进行了扩展和推导。对QRCS和CRCS截然不同的物理本质及其相互关系进行了分析。仿真结果表明,双光子QRCS在不同入射角度下形成的波形在毫米波段出现畸变,因此单光子QRCS具有更好的性能;与CRCS相比,QRCS的主旁瓣比更高。     

锥柱复合目标量子雷达散射截面分析

针对导弹目标量子雷达散射截面的计算问题,用锥柱复合模型模拟导弹目标几何结构,引入单光子波动方程,推导和改进量子雷达散射截面表达式.通过干涉分析镜面上原子与光子的相互作用,在检测点测量光子被目标原子散射后的强度,得到锥柱复合目标量子雷达散射截面公式.仿真结果表明:在不同入射角条件下,单光子量子雷达散射截面主瓣峰值高于经典雷达散射截面,而量子雷达散射截面旁瓣峰值低于经典雷达散射截面;随着波长减小,量子雷达散射截面逐渐降低,入射角对量子雷达散射截面无影响.表明量子雷达对小目标具有很高的探测识别能力,分辨率能够达到纳米级,为导弹目标识别提供了依据.     

圆柱曲面单光子量子雷达散射截面的理论研究

为研究圆柱曲面的单光子量子雷达散射截面与经典雷达散射截面相比存在的具体优势,引入光子波函数,将引起量子干涉的距离矢量进行分解,通过圆柱曲面的曲面积分推导得到了单基地单光子下的圆柱曲面量子雷达散射截面的封闭表达式.分析了不同电尺寸的圆柱曲面长度和曲率半径的影响,对比了圆柱曲面量子雷达散射截面与经典雷达散射截面的封闭表达式.封闭表达式的分析和仿真结果都表明,圆柱曲面长度的电尺寸决定量子雷达散射截面的旁瓣数,曲率半径的电尺寸决定了量子雷达散射截面曲线的包络,量子雷达散射截面的整体强度与曲率半径的电尺寸呈线性关系.圆柱曲面的量子雷达散射截面与经典雷达散射截面相比具有旁瓣增强的优势,有利于隐身目标的探测.     

等离子体覆盖立方散射体目标雷达散射截面的时域有限差分法分析

采用分段线性电流密度递归卷积时域有限差分（PLJERC-FDTD）算法计算了均匀非磁化等离子体覆盖三维立方体目标的散射特性.分析了等离子体厚度、密度和碰撞频率对雷达散射截面（RCS）的影响.计算结果表明：等离子体包层能有效地减小雷达目标的RCS，当等离子体频率比入射电磁波频率小得多时，主要靠增大等离子体的厚度使立方散射体目标的RCS值减小，增大等离子体碰撞频率对立方散射体目标的RCS值影响不大；当等离子体频率约为入射电磁波频率的一半时，增大等离子体厚度和碰撞频率都对立方散射体目标的RCS值减小有影响；当等 关键词： FDTD算法 电磁波 等离子体隐身 雷达散射截面     

Li9团簇体心立方结构的形成机理和结合能

本文提出了Li9团簇体心立方结构的形成机理,并对此结构的总能量随中心原子到顶点原子间核间距R的变化用芶氏改进的排列通道量子力学方法(MACQM)进行了计算。结果显示曲线在R = 4.77 a0处有一极小值 -67.160922 a.u.,这表明Li9团簇的体心立方结构是可能稳定存在的。在R趋于无穷大时这9个锂原子的总能量为 -66.852240 a.u.,所以形成Li9的总结合能为0.308682 a.u.。因此Li9 团簇的原子平均结合能是0.034298 a.u.或0.933 eV,它大于我们过去计算的Li5团簇正四面体中心结构的原子平均结合能0.632 eV、Li7 团簇正八面体中心结构的原子平均结合能0.674 eV和Li13 团簇正二十面体中心结构的原子平均结合能0.810 eV。故在体心正多面体结构Lin (n= 5 ,7,9,13)中,Li9的体心立方结构有最大的原子平均结合能,这也许是碱金属晶体的晶胞取体心立方结构的一个原因。     

純金屬晶体中的缺陷

一、引言純金属在一个大气压力下,在适当的温度范围內都处在晶体状态,我們称之为純金属晶体。晶态金属的基本特征就是它的原子在空間呈有規則的周期性排列。一个完整的理想的純金属晶体,它的原子排列成一个严格的周期性排列的結构。大部分重要的純金属晶体原子排列成三种結构:面心立方,体心立方和六方密排。这三种結构中晶胞的原子排列見图1。     

应用AWE技术和等效偶极子法快速计算目标宽带RCS

将渐近波形估计(AWE)技术结合等效偶极子(EDM)法应用于任意三维导体目标宽带雷达散射截面(RCS)的快速计算.首先利用等效偶极子法实现阻抗矩阵的快速填充及其多阶导数矩阵的快速计算,并利用内外迭代近场预处理技术加速矩阵方程的求解,进而应用渐近波形估计技术实现宽带雷达散射截面(RCS)的快速计算.数值计算表明:本文方法在保证计算精度的前提下,提高了计算效率.     

随机Gauss粗糙面上三维导体目标散射差场的随机泛函解析计算方法

提出一种解析的随机泛函方法(SFA),计算导体Gauss粗糙面上三维导体目标的复合电磁散射.推导粗糙面的随机Green函数,用一种新的四路径模型描述面体复合散射机理,用SFA求解双站差场雷达散射截面.以导体球目标为算例,与其他数值计算方法比较后验证了SFA的有效性与准确性,同时讨论了粗糙度、体目标尺寸以及距离粗糙面高度等参量变化对结果的影响,给出复杂形状体目标的双站差场雷达散射截面的空间角分布. 关键词： 随机泛函方法 粗糙面随机Green函数 差场雷达散射截面 面体复合散射     

采用从头计算方法研究液态氦原子间等效对势

 提出了一种具有体心立方排列的原子团簇He₉模型，用于模拟液氦中邻近原子的近程平均分布特征，并运用量子从头计算方法和原子团簇理论计算技术，首次从理论上计算了液态氦原子间等效作用对势。计算给出的等效对势能较好地再现液氦的等温压缩线及冲击压缩线，所提出的液体等效结构的原子团簇模型能比较合理地描述液氦近程结构特征以及原子间多体相互作用规律。还将理论对势函数与经验Exp-6势进行了比较。     

磁化铁氧体覆盖二维导体目标FDTD分析的移位算子方法

采用移位算子方法把时域有限差分法推广应用于二维磁各向异性色散介质—磁化铁氧体中.证明了电磁波横向入射二维轴向磁化铁氧体目标情形下,电磁波可按目标的轴向分解为横电波(TE波)和横磁波(TM波),且TE波的散射特性与铁氧体介质无关,而TM波的散射特性与介质电磁参量密切相关,同时对其物理原因进行了分析.通过采用移位算子方法处理磁化铁氧体频域本构关系,得到该情形下目标电磁散射的移位算子时域有限差的迭代计算公式,同时解决了电磁波在各向异性和频率色散介质中传播的问题.计算了轴向磁化铁氧体涂敷VonKarman型导体柱的TM波双站雷达散射截面,分析了铁氧体参量对目标双站雷达散射截面的影响.结果表明:恰当地选择铁氧体参量能有效地减少目标的雷达散射截面,本文时谐因子取exp〔jωt〕.     

Theory of solute clustering in materials for atom probe

Pseudo-binary solute clustering in crystals was modelled analytically using expressions for the site-occupation probabilities that depend on solute concentration, crystallography and nearest-neighbour short-range order. Up to a cluster-size of 10 solute atoms, theoretical random and non-random cluster-size distributions were calculated for diamond (Si), simple (Mn), body centred (Fe) and face centred (Al) cubic lattices and the hexagonal close-packed (Mg) lattice. These calculations were then used to generate simulations of atom probe data, by stochastically removing atoms to simulate the effect of detector efficiency. These simulations may be used to determine self-consistent clustering algorithm parameters, measure short range order parameters and recover the effect of detector efficiency on the observed frequency distributions.     

Response of a semi-infinite cubic lattice to uniform electric fields

Self-consistent field equations for the dipole moments of point polarizable atoms in slabs of cubic lattices with a uniform applied electric field are constructed. Results of Toeplitz operator theory are used to characterize the ranges of atomic polarizability for which there are unique solutions to the equations. A normal mode analysis of the frequency spectrum of the coupled dipole lattice is given and is used in the interpretation of the results for the simple cubic lattice. Approximate solutions of the self-consistent field equations for the semi-infinite lattice are constructed which display the exponential approach of the atomic dipoles to their infinite lattice value with increasing penetration into the lattice.     

Electronic structure of the Zr-He system

Ab initio calculations of the electronic structure of hexagonal close-packed and face-centered cubic zirconium with the impurity of helium atoms of about 6 at % have been performed. It has been established that the presence of helium significantly changes the electronic structure of zirconium and leads to a considerable redistribution of its electron density. Calculated values of chemical shifts of the core states of Zr atoms due to the presence of helium atoms in its lattice have been discussed.     

Influence of the size and shape of free nanoparticles on the local changes in the lattice parameter and on the structural stability of body-centered cubic zirconium and iron

The influence of the shape and size of nanocrystals on the lattice relaxation of body-centered cubic metals (zirconium, iron) at a constant temperature has been investigated using the molecular dynamics method with the many-body interatomic interaction potential obtained in terms of the embedded-atom model. The calculations have been performed for isolated clusters with sizes ranging from 2.5 to 17 nm for zirconium and from 2 to 14 nm for iron. It has been demonstrated that, in free zirconium and iron particles, the relaxation of the lattice constant along the [100], [010], and [001] directions has an oscillatory character. Irrespective of the size of the zirconium and iron particles, the equilibrium distances between atoms at the center of cubic clusters are minimum compared to those observed in near-surface layers and the equilibrium value of the lattice parameter for the bulk sample. In spherical clusters, the region of a maximum contraction corresponds to a depth approximately equal to 0.2 particle diameter from the surface. An increase in the size of both cubic and spherical clusters leads to a decrease in the deviation of the local lattice parameter from the equilibrium value for the bulk sample. It has been established that the size and shape of the cluster substantially affect the temperature and mechanism of the structural transformation from the body-centered cubic phase into the hexagonal close-packed phase.     

The H atom in CaTiO 3 : Structure and electronic properties

In the present work we explore the effects that an H impurity produces upon the geometry and electronic structure of the CaTiO 3 crystal considering the cubic and orthorhombic crystallographic lattices of the material. A quantum-chemical method based on the Hartree-Fock formalism and the periodic large-unit-cell model is used throughout the work. The analysis of the results shows that the interstitial H impurity binds to one of the O atoms forming the so-called O-H group. At equilibrium, the O-H distances are found to be equal to 0.89 and 1.04 Å for cubic and orthorhombic lattices respectively. Atomic displacements and relaxation energies are analysed comparing the obtained results in the cubic lattice with those in the orthorhombic lattice. In the cubic phase the computed relaxation energy of vicinity of the O-H group is found to be equal to 1.1 eV and the atomic displacements generally obey the Coulomb law. So, the negatively charged O atoms move outwards from the defective region by about 0.09 Å while the positively charged Ti and Ca atoms move towards the defective region by about 0.05 and 0.01 Å respectively. A similar effect is observed in the orthorhombic lattice of CaTiO 3 doped with an H atom. It is necessary to mention that different O positions in the orthorhombic structure are considered for the O-H bond creation. The computed relaxation energies of the atomic displacements in this structure are found to be equal to 2.3 and 2.1 eV depending on the crystallographic type of the bonding O atom.     

Thermodynamics of the Hubbard model on stacked honeycomb and square lattices

We present a numerical study of the Hubbard model on simply stacked honeycomb and square lattices, motivated by a recent experimental realization of such models with ultracold atoms in optical lattices. We perform simulations with different interlayer coupling and interaction strengths and obtain Néel transition temperatures and entropies. We provide data for the equation of state to enable comparisons of experiments and theory. We find an enhancement of the short-range correlations in the anisotropic lattices compared to the isotropic cubic lattice, in parameter regimes suitable for the interaction driven adiabatic cooling.     

Periodic overlayers and moiré patterns: theoretical studies of geometric properties

Single crystal surfaces with periodic overlayers, such as graphene on hexagonal metal substrates, are found to exhibit, apart from their intrinsic periodicity, additional long-range order expressed by approximate surface lattices with large lattice constants. This phenomenon can be described as geometrically analogous to lateral interference effects resulting in periodic moiré patterns which are characterized by two-dimensional moiré lattices. Here we discuss in detail the mathematical formalism determining such moiré patterns based on concepts of two-dimensional Fourier transformation including coincidence lattices. The formalism provides simple relations that allow one to calculate possible moiré lattice vectors in their dependence on rotation angles α and scaling factors p1,p2 for periodic (p1 × p2)Rα overlayers on substrate surfaces described by general Bravais lattices. Specific emphasis will be given to hexagonal lattices where experimental data are available.     

Evolution of a Non-Uniform Deformed State in the Structure of Zinc-Chalcogenide Cubic Crystals Doped by 3 d Ions

The real structure of bulk Zn1 – хМхSe (S) crystals of diluted magnetic semiconductors with М = V, Cr, Fe, Co, Ni 3d impurities is characterized by neutron diffraction. These impurities are known to greatly destabilize even the initial lattices of pure zinc chalcogenides. Data on the resulting non-uniform microstrain field induced by atomic displacements are obtained from the structural peaks along the tangential and radial directions on the above crystals within a dopant concentration range of 0.01 ≤ х ≤ 0.10. Additional nodes with q = (1/3 1/3 1/3) 2π/a (q is the wave vector and a is the cubic unit cell) emerging in the reciprocal lattice of the cubic structure are considered as evidence for a pre-transition to the fcc (face-centered cubic)–hcp (hexagonal close-packed) phase state, which implies transitions from the fcc lattice along an 8-ray non-Lifshitz star with the wave vector k5 = μ(b1 + b2 + b3), where b1, b2, b3 are the reciprocal lattice vectors and μ ≈ 1/3.     

Description of the geometry of crystals with a hexagonal close-packed structure based on pair interaction potentials

The pair force interaction potential that allows one to describe a deviation from spherical symmetry, which is typical for hexagonal close-packed structures, is constructed using the ??spherically symmetric?? Mie potential that depends only on the interatomic distance. The parameters of the considered potential, which ensure the stability of hexagonal close-packed lattices, are obtained for a wide range of metals, namely, beryllium, gadolinium, hafnium, holmium, dysprosium, yttrium, cobalt, lutetium, magnesium, osmium, rhenium, ruthenium, scandium, thallium, terbium, technetium, titanium, thulium, cerium, zirconium, and erbium. It is shown that for this pair interaction potential the hexagonal close-packed structure is energetically more favorable than the face-centered cubic structure. The proposed potential can be used to perform computational experiments and analytical investigations.