用改进的格子Boltzmann方法模拟浅水长波问题

以正六边形的格子Ｂｏｌｔｚｍａｎ方法为基础，通过气体动力学的Ｅｕｌｅｒ方程与浅水波方程的比拟，修改了原有的ＬＢＭ方法的平衡态分布函烽，使ＬＢＭ方法所对应的流体力方程与浅水水波方程一致。一维问题的计算结果与离散速度法得到的计算结果作了比较。     

5,10,15,20-四-(4-十六烷基吡啶基)卟啉LB膜结构的研究

研究了两亲性卟啉５,１０,１５,２０－四－（４－十六烷基吡啶基）卟啉溴化物在气－液界面上的成膜性能,制备了其ＬＢ膜。用扫描隧道显微镜和ＵＶ－Ｖｉｓ光谱,荧光光谱,小角Ｘ射线衍射等实验方法研究了ＬＢ膜的形貌和卟啉大环分子在ＬＢ膜中的排列、取向和分子间的相互作用。结果表明,制备的ＬＢ膜结构均匀,性能稳定,在ＬＢ膜内,脂肪链并不是直立的,卟啉分子大环几乎平躺在基片上。     

十二烷基苯磺酸在掺杂态聚苯胺LB膜中的分子取向

本文利用偏振红外光谱,研究了十二烷基苯磺酸分子在掺杂态聚苯胺ＬＢ膜中的分子取向。计算结果表明,十二烷基苯磺酸分子的烷基链是与基底法线方向呈１７°角度排布的,由Ｘ射线小角衍射峰推算出,在ＬＢ膜的沉积方向上,十二烷基苯磺酸掺杂的聚苯胺分子的层间距为２９５ｎｍ。     

聚丁二炔Langmuir-Blodgett薄膜的光声谱研究(Ⅰ)结构表征与光声吸收系数

本文在用Ｘ－射线小角衍射对聚合与转载先后次序不同的ＰＤＡＬＢ膜进行结构表征的基础上,不同厚度ＰＤＡＬＢ膜的光声斩波频率效应说明,随着ＰＤＡＬＢ膜厚度增加,ＬＢ膜的热学性质逐渐明显。此外,还探讨了如何从ＰＤＡＬＢ膜的光声谱求得光声吸收系数问题,本文的研究结果表明,光声谱技术是研究ＬＢ膜热学特性的有效手段。     

聚丁二炔Langmuir—Blodgett薄膜的光声谱研究：（Ⅰ）结构表征与光声？…

本在用Ｘ－射线小角衍射聚合与转载先后次序不同的ＰＤＡ ＬＢ膜进行结构表征的基础上,不同厚度的ＰＤＡ ＬＢ膜的光声新斩波频率效应说明,随着ＰＤＡ ＬＢ膜厚度增加,ＬＢ膜的热学性质逐渐明显。此外,还探讨了如何从ＰＤＡ ＬＢ膜的光声谱求得光声吸收系数问题,本的研究结果表明,光声谱技术是研究ＬＢ膜热学特性的有效手段。     

ⅡA,ⅡB族第一激发态原子中的角动量耦合

随着主子量子数ｎ增大，ⅡＡ，ⅡＢ族第一激发态原子中价壳电子间库仑排斥作用减弱，电子自身自旋－轨道相互作用相对增强，从而导致其对ＬＳ耦合方式的逐渐偏离和ｉｊ耦合方式的逐渐介入，组态混合方法可用来定量计算ＬＳ耦合方式的偏离程度。     

格子Boltzmann方法求解Burgers方程

众所周知,格子方法（包括格子气和格子Ｂｏｌｔｚｍａｎｎ方法）在计算物理领域取得巨大进展。与之形成鲜明对比,格子方法的数学理论始终处于停滞前的状况。为求解Ｂｕｒｇｅｒｓ方程,一类带有ＢＧＫ模型格子方法被构造出来,经过变量替换,发现他们属于三层非性差分方法。使用极值原理,给出此类格式稳定性的严格证明,最后,从数值实验中可以看出,使用ＬＢＭ得到的结果,与经典二阶守恒差分方法的结果符合得非常好。     

（Ba1—xKx）BiO3芯态能级随组份的变化

本用第一原理的ＬＤＦ－ＬＭＴＯ－ＡＳＡ方法，以超元胞Ｂａ４Ｂｉ４Ｏ１２，（Ｂａ３Ｋ）ＢｉＯ１２，（ＢａＫ）Ｂｉ２Ｏ６，（ＢａＫ３）Ｂｉ４Ｏ１２，Ｋ２Ｂｉ２Ｏ６五种“样本”计算由于Ｂｉ＾＋３和Ｂｉ＾＋５二种价态以及Ｋ掺杂引起各芯态能级化学位移的变化，“样本”的电子结构与实验相符，即Ｂａ４Ｂｉ４Ｏ１２是ｇ＝－２．０ｅＶ的半导体，（Ｂａ３Ｋ）Ｂｉ４Ｏ１２ｊ Ｅｇ＝１．６ｅＶ其价带顶有不量空穴的半导体，     

KTiOPO＿4晶体纵横模劈裂的喇曼谱

在室温下测量了ＫＴｉＯＰＯ＿４单晶的偏振喇曼散射谱，应用９０°散射及背散射得到了各模的峰位值，其中Ｂ＿１（ＬＯ）模、Ｂ＿２（ＬＯ）模的喇曼谱测量尚未见报道过。根据ＬＯ－ＴＯ劈裂的实验结果，计算出该晶体极化模的有效电荷、振子强度及沿对称轴方向的静态介电常数。     

聚合物LB膜定向铁电液晶的特性

利用新近合成的聚酰亚胺ＬＢ膜定向铁电液晶分子,通过原子力显微镜对经不同亚胺化温度处理的聚酰亚胺ＬＢ膜进行扫描探测,发现相应的ＬＢ膜具有不同的形貌结构,认为高温亚胺化的ＬＢ膜可以提高较高的势垒,这为铁电液晶双稳记忆性的出现提供了可能,而ＬＢ膜的超薄特性有利于开关过程中表面聚积电荷的中和与释放,保证了器件优良的双稳记忆性的最终获得以及微秒量级快速响应的实现。     

基于LBM方法的风力发电机尾流结构仿真

针对传统CFD数值计算方法难以实现风力机动态旋转及其旋转状态下的流固耦合计算,本文结合格子玻尔兹曼(LBM)方法易于处理动态复杂边界的特点及大涡模拟(LES)方法在非稳态涡流结构捕捉上的优势,采用LBM-LES联合方法进行三维风力发电机整机气动性能及尾流结构仿真研究,同时采用尺度自适应方法对尾涡结构进行跟踪和精细化计算。针对NREL PhaseⅥ型试验机进行模拟,得到了与实验结果吻合的流动形态及尾流结构演变规律,分析了尾流区速度演变规律并对比了不同亚格子湍流模型对计算结果的影响.     

确定多孔介质流动参数的格子Boltzmann方法

本文采用D2Q9不可压缩Lattice-Boltzmann模型模拟了多孔介质中的流场,该模型从介观层次上描述了多孔介质孔隙中的流动特性,验证了Darcy定律,给出了一种计算渗透率的简便方法,本文还运用图像处理方法来构造多孔介质,该方法构造的二维多孔介质能较好地体现实际多孔介质的几何特征。     

A Lattice-Boltzmann model for suspensions of self-propelling colloidal particles

We present a Lattice-Boltzmann method for simulating self-propelling (active) colloidal particles in two dimensions. Active particles with symmetric and asymmetric force distribution on their surface are considered. The velocity field generated by a single active particle, changing its orientation randomly, and the different time scales involved are characterized in detail. The steady-state speed distribution in the fluid, resulting from the activity, is shown to deviate considerably from the equilibrium distribution.     

Lattice Boltzmann simulations on GPUs with ESPResSo

For the dynamics of macromolecules in solution, hydrodynamic interactions mediated by the solvent molecules often play an important role, although one is not interested in the dynamics of the solvent itself. In computer simulations one can therefore save a large amount of computer time by replacing the solvent with a lattice fluid. The macromolecules are propagated by Molecular Dynamics (MD), while the fluid is governed by the fluctuating Lattice-Boltzmann (LB) equation. We present a fluctuating LB implementation for a single graphics card (GPU) coupled to a MD simulation running on conventional processors (CPUs). Particular emphasis lies on the optimization of the combined code. In our implementation, the LB update is performed in parallel with the force calculation on the CPU, which often completely hides the additional computational cost of the LB. Compared to our parallel LB implementation on a conventional quad-core CPU, the GPU LB is 50 times faster, and we show that a whole commodity cluster with Infiniband interconnnect cannot outperform a single GPU in strong scaling. The presented code is part of the open source simulation package ESPResSo ().     

Steering in computational science: Mesoscale modelling and simulation

This paper outlines the benefits of computational steering for high performance computing applications. Lattice-Boltzmann mesoscale fluid simulations of binary and ternary amphiphilic fluids in two and three dimensions are used to illustrate the substantial improvements which computational steering offers in terms of resource efficiency and time to discover new physics. We discuss details of our current steering implementations and describe their future outlook with the advent of computational grids.     

A Consistent Grid Coupling Method for Lattice-Boltzmann Schemes

A method of coupling grids of different mesh size is developed for classical Lattice-Boltzmann (LB) algorithms on uniform grids. The approach is based on an asymptotic analysis revealing suitable quantities equalized along the grid interfaces for exchanging information between the subgrids. In contrast to other couplings the method works without overlap zones. Moreover the grid velocity (Mach number) is not kept constant, as the time step depends not linearly but quadratically on the grid spacing. To illustrate the basic idea we use a simple LB algorithm solving the advection-diffusion equation. The proposed grid coupling is validated by numerical convergence studies indicating, that the coupling does not affect the second-order convergence behavior of the LB algorithm which is observed on uniform grids. In order to demonstrate its principal applicability to other LB models, the coupling is generalized to the standard D2P9 model for (Navier-)Stokes flow and tested numerically. As we use analytic tools different from the Chapman-Enskog expansion, the theoretical background material is given in two appendices. In particular, the results of numerical experiments are confirmed with a consistency analysis.     

Lattice-Boltzmann simulations of dynamic interfacial tension due to soluble amphiphilic surfactant

An amphiphilic Lattice-Boltzmann approach is adopted to model dynamic interfacial tension due to non-ionic surfactant. In the current system, the surfactant adsorption kinetics is diffusion dominated and the interface separates two immiscible fluids. A rotational relaxation time and a diffusive/viscous relaxation time are associated with the surfactant. The model results are compared with experimental data for the dynamic interfacial tension of a pendant oil droplet in water, with oil soluble surfactant. We demonstrate how to adapt and calibrate the model to capture the adsorption timescale of the surfactant and the magnitude of interfacial tension reduction due to surfactant. A scheme to overcome numerical instabilities due to the relatively low surfactant concentration, is devised. We are able to qualitatively match the Frumkin equation of state for the interfacial tension.     

Evaluation of PowerFLOW for Aerodynamic Applications

A careful comparison of the performance of a commercially available Lattice-Boltzmann Equation solver (PowerFLOW) was made with a conventional, block-structured computational fluid-dynamics code (CFL3D) for the flow over a two-dimensional NACA-0012 airfoil. The results suggest that the version of PowerFLOW used in the investigation produced solutions with large errors in the computed flow field; these errors are attributed to inadequate resolution of the boundary layer for reasons related to grid resolution and primitive turbulence modeling. The requirement of square grid cells in the PowerFLOW calculations limited the number of points that could be used to span the boundary layer on the wing and still keep the computation size small enough to fit on the available computers. Although not discussed in detail, disappointing results were also obtained with PowerFLOW for a cavity flow and for the flow around a generic helicopter configuration.     

基于高/多光谱图像空天一体融合仿真方法

提出了一种基于高/多光谱图像的空天一体融合仿真方法. 以航空高光谱数据为基础, 根据航天多光谱遥感相关参数, 通过空天一体光谱维变换、尺度空间变换、辐射强度变换、混合像素变换和噪声变换将 航空高光谱图像中的地物目标进行空天一体映射到航天多光谱图像中, 得到特定地物目标的航天多光谱融合模拟仿真图像. 仿真实验表明该方法简便易行, 有效地减少了地物目标的三维建模和探测器响应建模的巨大工作量, 较好地实现了对特定地物目标航天多光谱图像的模拟, 开拓了遥感图像仿真模拟方法的新领域, 具有重要的研究和应用价值. 关键词： 遥感图像 空天一体 融合仿真 光谱维变换