Folding Model Analysis of Elastic Scattering of 11B from Light,Medium, and Heavy Nuclei

The elastic scattering angular distributions of ¹¹B projectile on light, medium, and heavy target nuclei including ⁷Li, ⁹Be, ¹²C, ¹⁶O, ^24,25,26Mg, ²⁷Al, ²⁸Si, ⁴⁰Ca, ⁵⁸Ni, ⁵⁹Co, ⁶⁰Ni, ¹⁹⁷Au, ²⁰⁸Pb, and ²⁰⁹Bi have been analyzed at various incident energies. The theoretical results have been obtained by using two different nuclear potentials within the framework of the optical model (OM). Firstly, the double folding potential for real part and the Wood-Saxon (WS) potential for imaginary part have been applied. Secondly, the calculations with double folding potential for both real and imaginary part have been performed and compared with the experimental data. It has been seen that the results are in very good agreement with the experimental data. Also, the volume integrals and cross-sections for each reaction have been obtained. Finally, a new and simple formula for the imaginary potential depth has been derived to clarify the nuclear interactions of ¹¹B nucleus at low energy reactions.     

A study of host-guest complexation between amodiaquine and native cyclodextrin. Characterization in solid state and its in-vitro anticancer activity

Amodiaquine (AQ) has been used widely as an antimalarial drug. Amodiaquine is a mannich base 4-amino quinolone with a mode of action similar to that of chloroquine. The inclusion complex of AQ with β-Cyclodextrin (β-CD) in solution phase is studied from the ground and excited state with UV-Visible and fluorescence spectroscopy, respectively. A binding constant and stoichiometric ratio between AQ and β-CD are calculated by BH equation. The solid complexes are prepared by physical method (PM), kneading method (KM) and co-precipitation method (CP). The solid complex is characterized by Fourier transform infrared spectroscopy, scanning electron microscopy and powder X-ray diffraction. The CP method gives the solid product with a better yield than that of physical mixture and KM products. The orientation and structure of the complex are proposed based on the analysis of Patch-Dock server. The anticancer activity also performed for pure AQ and their complex with β-CD. It is clearly shown that an improvement of anticancer activity of AQ while forming complex with β-CD. The solid inclusion complex behaves as the better anticancer ability than AQ alone.     

Mechanical and thermodynamic properties of the monoclinic and orthorhombic phases of SiC_2N_4 under high pressure from first principles

First principles calculations are preformed to systematically investigate the electronic structures, elastic and thermodynamic properties of the monoclinic and orthorhombic phases of Si C2N4 under pressure. The calculated structural parameters and elastic moduli are in good agreement with the available theoretical values at zero pressure. The elastic constants of the two phases under pressure are calculated by stress–strain method. It is found that both phases satisfy the mechanical stability criteria within 60 GPa. With the increase of pressure, the degree of the anisotropy decreases rapidly in the monoclinic phase, whereas it remains almost constant in the orthorhombic phase. Furthermore, using the hybrid density-functional theory, the monoclinic and orthorhombic phases are found to be wide band-gap semiconductors with band gaps of about 2.85 e V and 3.21 e V, respectively. The elastic moduli, ductile or brittle behaviors, compressional and shear wave velocities as well as Debye temperatures as a function of pressure in both phases are also investigated in detail.     

Elastic stress fields caused by a dislocation in Ge x Si1−x /Si film-substrate system

The elastic stress fields caused by a dislocation in Ge_xSi_(1-x) epitaxial layer on Si substrate are investigated in this work. Based on the previous results in an anisotropic bimaterial system,the image method is further developed to determine the stress field of a dislocation in the film-substrate system under coupled condition. The film-substrate system is firstly transformed into a bimaterial system by distributing image dislocation densities on the position of the free surface. Then,the unknown image dislocation densities are solved by using boundary conditions,i.e.,traction free conditions on the free surface. Numerical simulation focuses on the Ge0.1Si0.9/Si film-substrate system. The effects of layer thickness,position of the dislocation and crystallographic orientation on the stress fields are discussed. Results reveal that both the stresses σxx,σxz at the free surface and the stress σxy,σyy,σyz on the interface are influenced by the layer thickness,but the former is stronger. In contrast to the weak dependence of stress field on the crystallographic orientation the stress field was strongly affected by dislocation position. The stress fields both in the film-substrate system and bimaterial system are plotted.     

弹性形变对手征液晶螺旋光轴及电光响应时间的影响

手征向列相液晶螺旋轴即为光轴,此轴的空间取向直接影响着液晶中光传播的特性。采用理论分析和数值模拟相结合的方法,研究了液晶展曲与弯曲形变存在的差异和对手征向列相液晶挠曲电螺旋光轴倾角及动力学响应特性的影响。假设在静电平衡及动力学响应两种状态下,系统均具有统一的挠曲电螺旋光轴,忽略介电各向异性,分别计算了两种不同状态下系统的平均自由能密度。利用欧拉方程及转矩平衡方程得到了螺旋光轴倾角满足的平衡方程及动力学方程。通过数值计算,讨论了两种形变的差异对挠曲电螺旋光轴倾角及动力学响应特性的影响。结果表明两种形变差异的存在,均使螺旋光轴扭曲角及特性响应时间变化,差异越大变化越快,这种影响是不可忽略的,这为液晶电光快速响应提供了依据。     

平面简谐纵波动能和势能的有关讨论

以在弹性介质中传播的平面简谐纵波为研究对象,从数学表达、图像、力学原理等方面对平面简谐纵波动能和势能进行探讨,通过分析介质中质元受力、形变情况和运动过程,揭示了平面简谐纵波在弹性介质中传播能量的本质和规律。     

BaHfO3纳米薄膜电子结构、光学和弹性性质的第一性原理研究

采用基于密度泛函理论的第一性原理方法,在局域密度近似（LDA）下研究了厚度为0.626～2.711nm (100)面BaHfO3薄膜的电子结构、光学和弹性性质．电子结构和光学性质计算结果表明：以BaO为表面层原子的BaHfO3纳米薄膜均为直接带隙半导体材料,带隙随薄膜厚度减小而逐渐减小,表现出明显的量子尺寸效应,此时薄膜的光学吸收边发生红移,吸收带出现窄化现象．以HfO2作为表面层原子的BaHfO3薄膜则属于间接带隙半导体材料,且带隙随薄膜厚度减小而微弱增加．弹性性质计算结果表明：体弹模量、剪切模量和杨氏模量等表征材料硬度的力学参数均随BaHfO3纳米薄膜厚度减小而显著减小,呈现尺寸效应．电荷密度分布分析揭示了薄膜厚度改变了BaHfO3纳米薄膜的价健特性,这是材料硬度改变的内在原因．该研究结果为BaHfO3纳米薄膜材料的设计与应用提供了理论依据．     

诊断LiF单晶弹性变形的瞬态X射线衍射

利用瞬态X射线衍射技术对LiF单晶沿晶向[100]方向冲击加载的晶格变形进行了诊断研究。实验在神光Ⅱ装置的球形靶上进行,北四路激光驱动Cu靶获得的类He线作为X射线背光源,第九路为加载光源,对大小为7mm×7mm、厚300μm的受激光加载的LiF单晶衍射,实验获得了LiF单晶晶面(200)压缩和未压缩状态的衍射信号。实验结果表明:LiF单晶在激光沿[100]方向冲击加载下,晶格发生了弹性变形,(200)晶面间距变小,衍射线上移,晶格压缩量为11%;该瞬态X射线衍射技术可用于冲击加载下的微观动态响应特性测量。     

A Mixed-Transfer-Matrix Method for Simulating Normal Conductor/Perfect Insulator/Perfect Conductor Random Networks

We develop a mixed-transfer-matrix approach for computing the macroscopic conductivity of a three-constituent normal conductor/perfect insulator/perfect conductor random network. This is applied to two-dimensional and three-dimensional samples at a percolation threshold. Such networks are simulated in order to test whether a diluted percolating network of normal conducting bonds remains in the same universality class of critical behavior when a finite fraction of those bonds have been replaced by perfectly conducting bonds. Also tested by such simulations is whether a percolating mixture of normal and perfectly conducting bonds remains in the same universality class of critical behavior when a finite fraction of the normal bonds are replaced by perfectly insulating bonds. These questions are crucial for some recently published exact results which connect the macroscopic electrical and elastic responses of percolating networks.     

Contact analysis in the presence of an ellipsoidal inhomogeneity within a half space

Many materials contain inhomogeneities or inclusions that may greatly affect their mechanical properties. Such inhomogeneities are for example encountered in the case of composite materials or materials containing precipitates. This paper presents an analysis of contact pressure and subsurface stress field for contact problems in the presence of anisotropic elastic inhomogeneities of ellipsoidal shape. Accounting for any orientation and material properties of the inhomogeneities are the major novelties of this work. The semi-analytical method proposed to solve the contact problem is based on Eshelby’s formalism and uses 2D and 3D Fast Fourier Transforms to speed up the computation. The time and memory necessary are greatly reduced in comparison with the classical finite element method. The model can be seen as an enrichment technique where the enrichment fields from the heterogeneous solution are superimposed to the homogeneous problem. The definition of complex geometries made by combination of inclusions can easily be achieved. A parametric analysis on the effect of elastic properties and geometrical features of the inhomogeneity (size, depth and orientation) is proposed. The model allows to obtain the contact pressure distribution – disturbed by the presence of inhomogeneities – as well as subsurface and matrix/inhomogeneity interface stresses. It is shown that the presence of an inclusion below the contact surface affects significantly the contact pressure and subsurfaces stress distributions when located at a depth lower than 0.7 times the contact radius. The anisotropy directions and material data are also key elements that strongly affect the elastic contact solution. In the case of normal contact between a spherical indenter and an elastic half space containing a single inhomogeneity whose center is located straight below the contact center, the normal stress at the inhomogeneity/matrix interface is mostly compressive. Finally when the axes of the ellipsoidal inclusion do not coincide with the contact problem axes, the pressure distribution is not symmetrical.