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The molecular geometries and dissociation energies of AnO (An = Bk–Lr) molecules were first obtained at thecoupled-cluster single-, double-, and perturbative triple-excitations [CCSD(T)] level of theory. Four hybrid functionals,B3LYP, M06-2X, TPSSh, and PBE0, were also employed in the calculations for the sake of comparison. In comparison ofthe CCSD(T) results, B3LYP, TPSSh, and PBE0 functionals can obtain more appropriate results than M06-2X and MP2.The analyses on molecular orbitals show that the 7s, 6d, and 5f atomic orbitals of actinide (An) atoms participate in thebonding of An–O bonds. The partial covalent nature between An and O atoms is revealed by QTAIM analyses.  相似文献   
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Cavitation erosion is caused in solids exposed to strong pressure waves developing in an adjacent fluid field. The knowledge of the transient distribution of stresses in the solid is important to understand the cause of damaging by comparisons with breaking points of the material. The modeling of this problem requires the coupling of the models for the fluid and the solid. For this purpose, we use a strategy based on the solution of coupled Riemann problems that has been originally developed for the coupling of 2 fluids. This concept is exemplified for the coupling of a linear elastic structure with an ideal gas. The coupling procedure relies on the solution of a nonlinear equation. Existence and uniqueness of the solution is proven. The coupling conditions are validated by means of quasi‐1D problems for which an explicit solution can be determined. For a more realistic scenario, a 2D application is considered where in a compressible single fluid, a hot gas bubble at low pressure collapses in a cold gas at high pressure near an adjacent structure.  相似文献   
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A new kind of nanocomposite (NC) hydrogel with Na‐montmorillonite (MMT) is presented in this article. The NC hydrogels were synthesized by free radical copolymerization of acrylamide and (3‐acrylamidopropyl) trimethylammonium chloride (ATC) in the presence of MMT and N,N′‐methylene‐bis‐acrylamide used as chemical cross‐linker. Due to the cation‐exchange reaction between MMT and ATC (cationic monomer) during the synthesis of NC hydrogels, MMT platelets were considered chemical “plane” cross‐linkers, different from “point” cross‐linkers. With increasing amount of MMT, the crosslinking degree enhanced, causing a decrease of the swelling degree at equilibrium. Investigations of mechanical properties indicated that NC hydrogels exhibited enhanced strength and toughness, which resulted from chemical interaction between exfoliated MMT platelets and polymer chains in hydrogels. Dynamic shear measurements showed that both storage modulus and loss modulus increased with increasing MMT content. The idea described here provided a new route to prepare hydrogels with high mechanical properties by using alternative natural Na‐MMT. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 1020–1026  相似文献   
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本文采用关联分析方法研究了稳定温度分层湍流中的结构特性、输运特性,以及热量、动量逆梯度输运现象的尺度效应及其参数演化.首先采用大涡模拟方法对稳定分层湍流中的结构特性和输运特性进行了分析,将逆梯度输运发生的时间尺度作为已知条件,结合关联量分析方法在波数空间中的解析解,对逆梯度输运现象的尺度效应进行了分析研究.结果发现,稳定分层强度较大的流动中发生垂向热量及动量逆梯度输运现象,发生的结构尺度与关联分析所发现垂向热量、动量逆梯度输运的波数形成了呼应.随着分层强度增加,热量、动量的输运强度均受抑制,与逆梯度输运关联的流场结构尺度减小,同样的效应也发生在流场结构向下游演化的过程中.  相似文献   
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在EAST装置上安装了X模极化W波段多道相关反射仪,用于测量等离子体芯部密度涨落。该诊断利用低损耗(<3dB)多工器将4个不同频率(79.2GHz,85.2GHz,91.8GHz和96GHz)的微波耦合在一起,通过同一个天线发射。反射波由两个极向分离(~5cm)的天线接收,通过下变频技术实现外差测量。通过对两个极向天线接收的信号进行相关分析,获得芯部湍流垂直速度。对2018年低约束模式(L模)放电进行分析发现,在电子回旋共振加热(ECRH)等离子体中,芯部湍流垂直速度在电子逆磁漂移方向。而在注入同向中性束(co-NBI)后,芯部湍流垂直速度变为离子逆磁漂移方向。  相似文献   
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Near-field optical trapping can be realized with focused evanescent waves that are excited at the water–glass interface due to the total internal reflection, or with focused plasmonic waves excited on the water–gold interface. Herein, the performance of these two kinds of near-field optical trapping techniques is compared using the same optical microscope configuration. Experimental results show that only a single-micron polystyrene bead can be trapped by the focused evanescent waves, whereas many beads are simultaneously attracted to the center of the excited region by focused plasmonic waves. This difference in trapping behavior is analyzed from the electric field intensity distributions of these two kinds of focused surface waves and the difference in trapping behavior is attributed to photothermal effects due to the light absorption by the gold film.  相似文献   
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In recent years, spatial self-phase modulation (SSPM) with two-dimensional (2D) materials has attracted the attention of many researchers as an emerging and ubiquitous nonlinear optical effect. In this review, the state of the art of 2D material-based SSPM is summarized. SSPM measures or tunes the nonlinearity of 2D materials, and it is also an effective approach to study the band structure of 2D materials. Several modified forms of SSPM, such as high-order, white-light-excited, vector field excited, and optically nonlinearly enhanced SSPM are also presented. Subsequently, the physical origin of the SSPM formation mechanism is compared and analyzed. Furthermore, the applications of SSPM with 2D materials, including passive photonic devices, generation of Bessel beams, and identifying the mode of the orbital angular momentum, are listed. Finally, several urgent problems of the SSPM with 2D materials, potential applications, and prospects for future development are presented.  相似文献   
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