The thermal properties of Al–Mg–TM (TM = Sc,Zr): Ab initio study

Ab initio density functional theory (DFT) and density function perturbation theory (DFPT) have been used to investigate the thermal properties of the Al–Mg–Sc, Al–Mg–Zr and Al–Mg–Sc–Zr alloys over a wide range of temperature and pressure. Phonon dispersions are obtained at equilibrium and strained configurations by DFPT. Using the quasiharmonic approximation (QHA) for the free energy, several physical quantities of interest such as thermal Grüneisen parameter, heat capacity at constant pressure and at constant volume, thermal expansion coefficient, entropy, adiabatic bulk modulus and isothermal bulk modulus as a function of temperature and pressure are calculated and discussed. The present results show that the thermal expansion coefficient of the Al–Mg–Sc–Zr is far lower than that of Al–Mg–Sc and Al–Mg–Zr, and the variation features in the adiabatic bulk modulus and isothermal bulk modulus for the Al–Mg–Sc–Zr are also very different from that of Al–Mg–Sc and Al–Mg–Zr.     

Multiple ionization of argon accompanied by electron loss and capture of 0.22-6.35 MeV C^q＋ ions

In this paper a projectile ions recoil ions coincidence technique is employed to investigate the target ionization and projectile charge state changing processes in the collision of 0.22-6.35 MeV Cq^＋ （q = 1 - 4） ions with argon atoms. The partial cross section ratios of the double, triple, quadruplicate ionization to the single ionization （or the single capture） of argon associated with single electron loss （or single electron capture） by the projectile are measured and compared with the previous experimental results. In the present experiment, it is observed that the ratios of ionization cross sections R associated with single loss and single capture depend strongly on the projectile charge state and vary significantly with different reaction channels as impact energy increases. In addition, this paper gets empirical scaling laws for the ionization cross section ratios R corresponding to the projectile single loss and finds that the ratios of the double ionization to the single ionization associated with single electron capture remain constant in the present energy range.     

∧c^＊ in a coupled-channel baryon-meson scattering

Possible structures and properties of some excited states of Λ_c⁺ dynamically generated in the coupled-channel P-wave meson-baryon scattering are studied by solving the Bethe-Salpeter(BS) equation in the framework of the Chiral Unitary Approach. It is shown that both Λ_c⁺(2765) and Λ_c⁺(2940) could be generated dynamically and could be compound states with multi-configuration molecular-like structures. The couplings of the generated states to various reaction channels are also calculated. Moreover, two highly excited states, Λ_c⁺(3024) and Λ_c⁺(3134), are predicted.     

Ti和Al共掺杂ZnS的电子结构和光学性质

基于密度泛函理论的第一性原理研究Ti和Al单掺杂和(Ti,Al)共掺杂ZnS的能带结构、电子态密度分布、介电函数、光学吸收系数,分析了掺杂后电子结构与光学性质的变化.计算结果表明:掺杂后禁带中引入了新的杂质能级,费米能级进入导带.掺杂改变了ZnS晶体的导电特性,使它表现出金属特性,导电性能增强;与纯净ZnS相比,Ti单掺杂和(Ti,Al)共掺杂ZnS的吸收边均出现明显的红移,且在1.79eV左右出现了一个新峰;而Al单掺杂ZnS的吸收边则发生明显的蓝移,且不产生新的吸收峰.     

L-Shell X-Ray Yields and Production Cross Sections of Zr and Mo Bombarded by Slow Highly Charged Ar16+ Ions

The L-shell x-ray yields of Zr and Mo bombarded by slow Ar16＋ ions are measured. The energy of the Ar^16＋ ions ranges from about 150 keV to 350 keV. The L-shell x-ray production cross sections of Zr and Mo are extracted from these yields data. The explanation of these experimental results is in the framework of the adiabatic direct- ionization and the binding energy modified BEA approximation. We consider, in the slow asymmetric collisions such as Ar and Mo/Zr, the transient united atoms （UA） are formed during the ion-surface interaction and the direct-ionization is the main mechanism for the inner-shell vacancy production. Generally, the theoretical results are in good agreement with the experimental data.     

一个新的三维混沌系统

构造了一个新的三维连续自治混沌系统.该系统含有两个参数、一个反正切函数形式的非线性项.基于线性矩阵不等式方法研究了系统的稳定性.通过理论分析、数值仿真、Lyapunov指数谱、分岔图以及Poincaré截面图分别研究了系统的复杂动力学特性. 关键词： 混沌系统 稳定性 线性矩阵不等式 Lyapunov指数谱     

Ionic liquid-functionalized SBA-15 mesoporous material: efficient heterogeneous catalyst in versatile organic reactions

Ionic liquid-functionalized mesoporous materials exhibited high catalytic activity in versatile organic reactions, such as cycloaddition of carbon dioxide (CO₂) with epoxide, aza-Michael addition of amines to α, β-unsaturated carbonyl compounds, and the Biginelli reaction of aldehyde, ethyl acetoacetate and urea. Recycling of the catalyst in these reactions could be carried out and the catalyst used at least five times without significant loss in activity.      

高光谱成像技术检测高温障碍胁迫下番茄叶片色差的研究

提出了利用可见/近红外高光谱成像技术检测高温障碍胁迫下番茄叶片色差的方法。首先采集380~1 023 nm波段范围内60个高温障碍胁迫和60个健康番茄叶片的高光谱图像,同时获取全部叶片的色差值(L*, a*和b*),然后提取所有样本的高光谱图像中感兴趣区域(region of interest, ROI)的光谱反射率值。基于不同预处理方法建立偏最小二乘(partial least squares, PLS)预测模型,再利用连续投影算法(successive projections algorithm, SPA)提取特征波长并建立SPA-PLS预测模型。最后分别基于全波段和特征波段建立偏最小二乘-判别分析(partial least squares-discriminant analysis, PLS-DA)模型。结果显示,全波段中基于原始光谱信息建立的模型效果最好,3个色差值的预测集决定系数(determination coefficient, R2)分别是0.818,0.109和0.896;基于特征波长建立的模型预测集R2分别是0.591,0.244和0.673;所有模型预测集的总体识别率均大于77.50%。结果表明,可见/近红外高光谱成像技术检测番茄叶片色差值(L*和b*)和识别高温障碍样本是可行的。     

Guided transmission of oxygen ions through Al2O3 nanocapillaries

The transmissions of oxygen ions through Al2O3 nanocapillaries each 50 nm in diameter and 10 μm in length at a series of different tilt angles are measured,where the ions with energies ranging from 10 to 60 keV and charge states from 1 up to 6 are involved.The angular distribution and the transmission yields of transported ions are investigated.Our results indicate both the existence of a guiding effect when ions pass through the capillary and a significant dependence of the ion transmission on the energy and the charge state of the ions.The guiding effects are observed to be enhanced at lower projectile energies and higher charge states.Meanwhile,the results also exhibit that the transmission yields increase as the tilt angle decreases at a given energy and charge state.     

20 keV质子在聚碳酸酯微孔膜中传输的动态演化过程

测量了20 ke V质子穿过倾斜角为+1?的聚碳酸酯微孔膜后,出射粒子的位置分布、相对穿透率以及电荷纯度随时间的演化.实验发现,能量电荷比E/q≈10~1k V的质子穿过绝缘纳米微孔的物理机理与E/q≈10~0k V和E/q≈10~2k V区域离子有显著不同.对于E/q≈10~1k V的质子穿过绝缘纳米微孔,存在一段相当长的导向建立之前(导向前)的过程,在该时期内出射质子及氢原子的特性和导向建立后的特性有很大差异.在导向前的演化过程中,我们可以观察到出射质子的峰位逐渐向孔轴向附近转移;出射氢原子由束流方向的尖峰以及孔轴向的主峰构成,峰位角保持基本不变且尖峰逐渐消失.这一过程的主要机理为微孔内表面以下的多次随机二体碰撞和近表面镜面反射两种传输方式逐步向电荷斑约束下的"导向效应"过渡的过程.对E/q≈10~1k V区间离子"导向前过程"的完整观测,使得对低能向中能过渡区间离子穿过绝缘微孔膜物理机制和图像有更深入和完整的认识,有助于约10 ke V离子微束的精确控制和应用.