形变碳纳米管中水的输运行为研究

水分子通过碳纳米管的运输行为对认识生命的新陈代谢活动、海水淡化和纳米运输器件有着重要的参考作用.本文通过分子动力学的方法研究了水分子通过形变碳纳米管的运输行为,即椭圆柱状碳纳米管的离心率e对管内水分子输运的影响.结果发现椭圆柱状碳纳米管的离心率对管内水分子的偶极矩概率分布、径向函数分布和流量有重要的影响作用.分析认为碳纳米管的形变使管内水分子的偶极矩态及其运输状态发生变化;同时也发现在一定范围内通过改变碳纳米管的形状能起到分子开关的作用.     

Stress–Strain Dependence of Segmented Polyurethanes and Polyurethane Ureas

The stress–strain dependences of segmented elastomers based on polyetherurethanes, polyesterurethane ureas, and polybutadieneurethane ureas were investigated. These dependences were adequately described using the generalized approach proposed earlier by the authors for amorphous elastomers. The experimental data obtained for four series of samples with chemical cross-linking confirmed an applicability of this approach for segmented elastomers. Unlike amorphous elastomers, the effective network density value was affected not only by the density of the chemical network, but the contribution of the network formed by the hard domains also needs be taken into account.     

Optical Behavior of ZnS:Cu Microcrystals Embedded in Porous Silica Gels

Emission and excitation spectra of ZnS:Cu microcrystals trapped in porous silica xerogels are presented. This system is characterized by intense, long-lived green emission at room temperature. It was observed that this emission was greatly reduced after compressing the xerogel samples.     

Adaptive anisotropic noise filtering for magnitude MR data

Conventional noise filtering schemes applied to magnitude magnetic resonance (MR) images tacitly assume Gauss distributed noise. Magnitude MR data, however, are Rice distributed. Not incorporating this knowledge leads inevitably to biased results, in particular when applying such filters in regions with low signal-to-noise ratio. In this work, we show how the Rice data probability distribution can be incorporated so as to construct a noise filter that is far less biased.     

Renormalization Group for Strongly Coupled Maps

Systems of strongly coupled chaotic maps generically exhibit collective behavior emerging out of extensive chaos. We show how the well-known renormalization group (RG) of unimodal maps can be extended to the coupled systems, and in particular to coupled map lattices (CMLs) with local diffusive coupling. The RG relation derived for CMLs is nonperturbative, i.e., not restricted to a particular class of configurations nor to some vanishingly small region of parameter space. After defining the strong-coupling limit in which the RG applies to almost all asymptotic solutions, we first present the simple case of coupled tent maps. We then turn to the general case of unimodal maps coupled by diffusive coupling operators satisfying basic properties, extending the formal approach developed by Collet and Eckmann for single maps. We finally discuss and illustrate the general consequences of the RG: CMLs are shown to share universal properties in the space-continuous limit which emerges naturally as the group is iterated. We prove that the scaling properly ties of the local map carry to the coupled systems, with an additional scaling factor of length scales implied by the synchronous updating of these dynamical systems. This explains various scaling laws and self-similar features previously observed numerically.     

加装旋转叶片T型通道内流动混合的数值模拟

本文采用大涡模拟方法对加装旋转叶片的T型通道内冷热流体流动混合过程进行了数值模拟研究.在主管支管管径比为2:1的条件下,探究旋转叶片对T型通道内冷热流体混合的影响机理.通过对比分析有无叶片的T型通道内温度场,发现加装旋转叶片能够加快通道底部和对称面两侧流体的温度混合从而缩短通道内的混合长度,同时能够减小y轴方向的平均温...     

锂离子电池硅基负极材料嵌锂行为的第一性原理研究

采用基于密度泛函理论的第一性原理平面波赝势方法,计算不同数量的锂离子引起的硅材料晶体结构的变化以及在嵌锂过程中形成Li_xSi(x=1、2、2.4、4.4)合金相的形成能与电子结构.采用LST/QST方法计算过渡态,模拟合金体相中的锂离子迁移过程.计算结果表明,随着嵌锂数量的增加,硅晶胞的体积在不断增大;Li_xSi合金相的形成能为负值,表明在嵌锂过程中锂离子和硅原子可以自发形成这些合金相,其中Li₇Si₃合金最容易形成;随着嵌锂量的增加,锂离子在费米能级处s轨道提供的电子数逐渐增加,锂硅合金在费米能级处的电子数量呈增大趋势,表明锂硅合金的导电性越来越优;常温下Li₂Si体相中很难直接形成锂离子空位,但锂离子空位的迁移过程很容易发生.     

Comprehensive performance of a ball-milled La0.5Pr0.5Fe11.4Si1.6B0.2Hy/Al magnetocaloric composite

Due to the hydrogen embrittlement effect, La(Fe,Si)₁₃-based hydrides can only exist in powder form, which limits their practical application. In this work, ductile and thermally conductive Al metal was homogeneously mixed with La_0.5Pr_0.5Fe_11.4Si_1.6B_0.2 using the ball milling method. Then hydrogenation and compactness shaping of the magnetocaloric composites were performed in one step via a sintering process under high hydrogen pressure. As the Al content reached 9 wt.%, the La_0.5Pr_0.5Fe_11.4Si_1.6B_0.2H_y/Al composite showed the mechanical behavior of a ductile material with a yield strength of ~44 MPa and an ultimate strength of 269 MPa accompanied by a pronounced improvement in thermal conductivity. Due to the ease of formation of Fe-Al-Si phases and the several micron and submicron sizes of the composite particles caused by ball milling process, the magnetic entropy change of the composites was substantially reduced to ~1.2 J/kg· K-1.5 J/kg· K at 0 T-1.5 T.     

Influences of nanoparticles and chain length on thermodynamic and electrical behavior of fluorine liquid crystals

Hydrogen-bonded polar nematic liquid crystal series with the general formula nOBAF (n = 7—12) is studied. The mesomorphic characterization is demonstrated through differential scanning calorimetry (DSC) and polarized optical microscopy (POM). The complexes with short alkyl chains (n=7, 8) present a wide nematic range and monotropic smectic F mesophase, whereas the longer alkyl chain (n=10—12) analogues show high melting and low clearing mesomorphic liquid crystals. The thermal range of the mesophase and the birefringence increase with chain length decreasing. Furthermore, the effect of the nanoparticles (LiNbO₃) on the thermal and the electrical behavior of 8OBAF are investigated. The presence of LiNbO₃ nanoparticles increases the conductivity and reduces the resistivity of the complex.     

Bifurcation analysis of visual angle model with anticipated time and stabilizing driving behavior

In the light of the visual angle model (VAM), an improved car-following model considering driver's visual angle, anticipated time and stabilizing driving behavior is proposed so as to investigate how the driver's behavior factors affect the stability of the traffic flow. Based on the model, linear stability analysis is performed together with bifurcation analysis, whose corresponding stability condition is highly fit to the results of the linear analysis. Furthermore, the time-dependent Ginzburg-Landau (TDGL) equation and the modified Korteweg-de Vries (mKdV) equation are derived by nonlinear analysis, and we obtain the relationship of the two equations through the comparison. Finally, parameter calibration and numerical simulation are conducted to verify the validity of the theoretical analysis, whose results are highly consistent with the theoretical analysis.