An approach of dynamic mesh adaptation for simulating 3‐dimensional unsteady moving‐immersed‐boundary flows

In this paper, we present an approach of dynamic mesh adaptation for simulating complex 3‐dimensional incompressible moving‐boundary flows by immersed boundary methods. Tetrahedral meshes are adapted by a hierarchical refining/coarsening algorithm. Regular refinement is accomplished by dividing 1 tetrahedron into 8 subcells, and irregular refinement is only for eliminating the hanging points. Merging the 8 subcells obtained by regular refinement, the mesh is coarsened. With hierarchical refining/coarsening, mesh adaptivity can be achieved by adjusting the mesh only 1 time for each adaptation period. The level difference between 2 neighboring cells never exceeds 1, and the geometrical quality of mesh does not degrade as the level of adaptive mesh increases. A predictor‐corrector scheme is introduced to eliminate the phase lag between adapted mesh and unsteady solution. The error caused by each solution transferring from the old mesh to the new adapted one is small because most of the nodes on the 2 meshes are coincident. An immersed boundary method named local domain‐free discretization is employed to solve the flow equations. Several numerical experiments have been conducted for 3‐dimensional incompressible moving‐boundary flows. By using the present approach, the number of mesh nodes is reduced greatly while the accuracy of solution can be preserved.     

Pentapnictogen heterocyclic monoanions: Structure,stability, and aromaticity

Inorganic planar ring-shape molecules with 4n + 2 π electrons are always the focus of experimental synthesis and theoretical research due to their potential aromaticity and stability. In this work, the whole series of five-membered heterocycle monoanions X _nY_5-n⁻ (X, Y = group 15 elements; n = 1-4) were thoroughly investigated by means of density functional theory calculations. They all have large formation energies and HOMO-LUMO gap energies, suggesting the potential thermodynamic and kinetic stability. Their aromaticities are comparable to that of typical aromatic hydrocarbons. Their thermal stabilities were firmly established by the ab initio molecular dynamics simulations. As most of them are predicted for the first time, their various spectra were simulated for experimental characterization. Furthermore, we demonstrate that these five-membered cyclic anions can be employed as η⁵-ligand to construct novel all-inorganic metallocenes, which may serve as the building blocks of low-dimensional nanomaterials.     

激光能量对反钙钛矿GaCMn_3薄膜结构与物性的影响

本文采用脉冲激光沉积方法在LaAlO3(001)单晶衬底上制备了反钙钛矿GaCMn3薄膜,通过控制制备过程中脉冲激光的能量,研究了不同激光能量条件对GaCMn3薄膜结构与物理性能的影响.分别利用X射线衍射仪、原子力显微镜、超导量子干涉仪和物理性能测试系统,对所制备的薄膜的晶体结构、表面形貌和磁性、电输运性质进行了研究.结果表明,制备的样品均为具有多个晶面取向的反钙钛矿薄膜,且薄膜结构和物性明显随制备激光能量的变化而变化.当激光能量为450mJ时,制备的薄膜多晶面取向性最弱,结晶性和表面形貌最优良.实验所得的薄膜均表现出顺磁-铁磁-反铁磁相转变,然而转变过程比块材较平缓,同时薄膜的电阻率并未表现出块材中的突变特征,我们推测该现象很可能是由衬底的应力及衬底的晶格膨胀对薄膜反常晶格变化的抑制作用造成的.     

氢化丁苯共聚物结构的核磁共振波谱表征Ⅱ.微观结构的定量计算

在氢化丁苯共聚物¹³C-NMR谱脂肪碳部分谱带归属的基础上,根据各谱带的主要来源,推导出六个二单元浓度的计算公式。计算出二单元、一单元的相对含量,各结构单元的数均序列长度、嵌段含量和其它结构参数。加氢前后的¹H-和¹³C-NMR谱的组成计算结果基本一致。初步探讨了作为粘度指数改进剂的氢化丁苯共聚物微观结构与性能的关系,为合成提供了依据。     

一种新型彩色三维光学成像系统

提出一种新型三维彩色光学数字成像系统。此系统利用投影结构光对现实世界中的物体进行数字化，同时得到对应的彩色纹理。详细介绍了系统的硬件设计和软件体系结构设计，得到物体彩色纹理的两种不同方法；直接获取和从编码条纹中提取，给出了用该系统得到的实验结果并简单评价了系统的性能。此系统在反求工程、影视制作、三维游戏制作、医学应用等方面有远大的应用前景。     

PVK∶DBVP掺杂体系的能量转移及发光性质的研究

研究了不同比例的PVK与齐聚PPV衍生物DBVP掺杂体系的能量转移和发光特性.通过对PVK,DBVP及PVK:DBVP掺杂体系的UV-vis,PL和PLE光谱的研究,分析了PVK与DBVP之间的能量转移过程.利用PVK在体系中类似于溶剂的分散作用,制备了结构为ITO/PEDOT/PVK:DBVP/LiF/Al的电致发光器件,研究了掺杂体系的电致发光性能.结果表明,在掺杂体系的光致发光和电致发光中,PVK的发射被有效地抑制,PVK与DBVP之间发生了非常有效的能量转移,通过调节PVK与DBVP的比例,可以获得蓝色和绿色发光,同时可以改善器件的发光性能,当PVK与DBVP的重量比为1∶2时,器件的绿色发光效率达到1·06cd/A,此时发光亮度为52cd/m2.     

研究K4-同胚图K4(α,1,1,δ,ε,η)色性的一个引理

主要介绍了一个引理，这个引理奠定了K4－同胚图K4（α，1，1，δ，ε，η）色性研究的基础。     

Synthesis,structure, spectroscopic and magnetic properties of a novel two-dimensional copper(II) complex Na2[Cu(pba)] · 6H2O [pba = 1,3-propylenebis(oxamato)]

The copper(II) complex Na₂[Cu(pba)] · 6H₂O has been synthesized and its structure determined. It consists of a novel two-dimensional network of [Cu(pba)]^2– anions connected to each other through the sodium ion as a bridge. Spectroscopic and magnetic properties have been measured and a spin distribution calculation has been carried out with the GAUSSIAN-94. Theoretical calculations indicate the rather larger spin density on nitrogen atoms should be responsible for the satellite lines appearing beside the main hyperfine coupling signs of copper(II). The antiferromagnetic interaction may be due to the intermolecular interaction and/or different copper(II) ions through the Na⁺ bridge in the same layer.     

高压下聚苯胺的结构和电性能研究

 以金刚石压腔高压装置为工具，用Ⅱ型金刚石作压砧兼红外窗口，对本征态聚苯胺进行了高压（0~8.4 GPa）就位红外光谱测试。结果表明：在4.8~5.2 GPa压力区间，代表醌环振动的吸收峰相对代表苯环振动的吸收峰变小，表明聚苯胺在此压力区间结构上发生了显著变化，且这种变化是不可逆的。聚苯胺的高压（0~14.5 GPa）电阻测量结果表明：当压力小于7.5 GPa时，电阻随压力升高而显著降低，据此认为聚苯胺为电子性导电物质；在7.5 GPa处电阻出现极小值，然后又缓慢升高，至10 GPa后基本不变。推测聚苯胺电阻极小值是由结构变化引起的。至于红外光谱与电阻测量结果反映聚苯胺结构变化的压力值不一致，可能是由于测试条件不同所致。