冲击作用下纳米孔洞动力学行为的多尺度方法模拟研究

本文利用多尺度方法研究了包含孔洞金属材料在冲击加载条件下的动力学行为. 该多尺度方法结合了分子动力学和有限元方法,分子动力学方法运用于局部缺陷区域,而有限元方法运用于整个模型区域,两种方法之间使用桥尺度函数进行连接. 计算结果既包括了系统宏观的物理信息,如应变场、应力场、温度场等,也得到了微观原子的物理信息,如原子能量和位置坐标等. 结合以上的模拟结果,发现孔洞的坍塌与材料屈服强度和冲击强度有关,而孔洞坍塌和坍塌过程中对微喷射原子的压缩过程是形成局部热点的主要原因. 同时也发现孔洞坍塌形成的位错和局部热点可以导致局部绝热剪切带更容易形成. 关键词： 微孔洞 热点 冲击加载 多尺度方法     

复合介质与界面传热的多物理模型与计算

本文针对周期和随机结构复相介质与界面的多尺度热问题,提出了一个多物理模型和耦合算法,内容包括:计算界面导热系数的分子动力学方法;随机结构宏观有效导热系数和温度场的均匀化与多尺度方法;界面温度场与宏观温度场的关联模式及局域场的量子力学修正.     

多尺度模拟中网格守恒重映算法

针对耦合微观分子动力学(MD)和宏观有限元方法(FE)的多尺度模拟,提出一类新的基于贡献单元法的网格守恒重映算法.由于物理量是由有限元节点以及相应区域的原子信息通过积分重构得到的,对结构和非结构网格都能适用.对于未知量定义在顶点的情形,引入辅助网格.数值例子验证了算法的准确性和有效性.     

激光辐照受拉铝板破坏行为的时空多尺度数值模拟

推导耦合过渡区内参变量信息交换的元/网格动量传递多尺度算法,建立离散元与有限元耦合时空多尺度计算模型,并应用于激光辐照下受拉铝板破坏行为的数值模拟中.通过对比有限元计算模型、空间多尺度计算模型与时空多尺度计算模型在激光辐照下受拉铝板破坏算例的模拟结果,验证离散元与有限元耦合时空多尺度计算模型的准确性和数值计算高效率优势.使用该多尺度计算模型从宏观和细观尺度对铝板破坏行为进行数值模拟,模拟结果与实验结果基本一致.     

自适应间断有限元方法求解三维欧拉方程

将龙格库塔间断有限元方法(RDDG)与自适应方法相结合,求解三维欧拉方程.区域剖分采用非结构四面体网格,依据数值解的变化采用自适应技术对网格进行局部加密或粗化,减少总体网格数目,提高计算效率.给出四种自适应策略并分析不同自适应策略的优缺点.数值算例表明方法的有效性.     

晶粒尺度对延性金属材料层裂损伤的影响

微细观结构对材料动态损伤、破坏的影响是目前国内外力学领域的研究热点之一. 基于相关文献的实验结果, 通过理论分析, 给出了一个新的反映晶粒尺度效应的孔洞成核模型, 并将其耦合到延性金属材料层裂损伤模型中. 采用数值方法分析了晶粒尺度对高纯铜材料层裂损伤演化过程的影响. 计算结果显示: 随着材料平均晶粒尺度的增加, 自由面速度回跳点降低, 回跳后速度曲线的斜率增加; 损伤材料内部的孔洞数减少、平均孔洞尺寸增大.计算结果与相关文献所报道的实验 分析结果定性上符合较好. 该结果对于层裂损伤的深入研究具有一定的启发性. 关键词： 层裂 晶粒尺度 延性金属材料 冲击     

抛物方程基于自然边界归化的耦合法

将冯康和余德浩提出的自然边界归化方法^[1~4]应用于求解抛物方程初边值外区域问题,提出一种自然边界元与有限元耦合算法。先将控制方程对时间进行离散化,得到关于时间步长的离散化格式,给出圆外域上的自然积分方程,基于此研究抛物方程无界区域问题的自然边界元与有限元耦合法,最后给出相应的数值例子。     

粘性不可压流的变分多尺度数值模拟

在变分多尺度的理论框架内,将待求解的各个物理量分解到"粗"、"细"两种尺度上.在"细"尺度上采用"泡"函数作为近似函数,通过Petrov-Galerkin方法得到"细"尺度上的近似解;然后引入求解"粗"尺度方程所需的稳定项及与其相适应的稳定化因子;最后运用有限元方法求解"粗"、"细"两种尺度耦合的整体变分多尺度方程,得到有限元近似解.数值算例表明,该处理方法成功地消除了数值求解粘性不可压Navier-Stokes方程过程中,由对流占优和速度-压力失耦引起的数值伪振荡;所引入的稳定化因子适用于结构网格及非结构网格上的数值计算.     

离散元与有限元结合的多尺度方法及其应用

在深入研究复杂结构和非均质材料冲击响应和破坏机理的过程中,往往遇到多尺度计算问题.提出并建立起离散元与有限元结合的多尺度方法,该方法采用离散元对感兴趣的局部进行细观尺度的模拟,利用有限元进行宏观的模拟,从而节约了计算时间.采用一种特殊的过渡层衔接离散元区和有限元区.将这一方法应用于激光辐照下预应力铝板的破坏响应,并将得到的模拟结果与实验进行了比较.     

多孔介质分形结构热方程的多重双尺度概率模型与数值模拟

多孔介质分形结构既含有大量微米量级甚至纳米量级的微孔隙,也含有大量厘米甚至米量级的宏观孔洞。如果又假设复相材料和孔隙的就位性及形状大小服从某一概率分布。此时无论是理论分析或是数值计算均非常困难。本文对此问题,初步建立多重双尺度概率模型,井给出数值实验结果。     

多孔复合介质周期结构热传导和质扩散问题的多尺度数值方法

本文针对一类复杂的多孔复合介质的热传导和质扩散问题,给出具体的多尺度渐近展开公式,并在此基础上设计了有限元算法格式,它是宏观和细观相结合的数值方法。理论分析和数值实验均表明：多尺度数值方法对求解多孔复合介质周期结构的热传导和质扩散问题是可行的和有效的。     

Analysis of wave propagation in a thin composite cylinder with periodic axial and ring stiffeners using periodic structure theory

Wave propagation characteristics of a thin composite cylinder stiffened by periodically spaced ring frames and axial stringers are investigated by an analytical method using periodic structure theory. It is used for calculating propagation constants in axial and circumferential directions of the cylindrical shell subject to a given circumferential mode or axial half-wave number. The propagation constants corresponding to several different circumferential modes and/or half-wave numbers are combined to determine the vibrational energy ratios between adjacent basic structural elements of the two-dimensional periodic structure. Vibration analyses to validate the theoretical development have been carried out on sufficiently detailed finite element model of the same dimension and configuration as the stiffened cylinder and very good agreement is obtained between the analytical and the dense finite element results. The effects of shell material properties and the length of each periodic element on the wave propagation characteristics are also examined based on the current analytical approach.     

有限周期电磁结构的区域分解快速算法

针对有限周期电磁结构,提出一种高效率的有限元分裂与互连算法.把原求解区域划分成若干个子区域,显著地降低了问题的复杂度.根据广义变分原理,采用拉格朗日乘子在子区域之间交换信息,并建立其相应的粗问题.研究子区域系数矩阵的可逆性.通过引入基本子区域,实现可扩展并行计算,且尤其适合于分析光子晶体等有限周期结构.     

非一致随机分布复合材料力学参数预测的统计二阶双尺度方法

通过建立统计的二阶双尺度计算方法,预测了非一致随机分布复合材料结构的力学参数,包括刚度参数和弹性极限强度参数.所谓非一致随机分布复合材料结构,是指在整个结构中夹杂随机分布,但分布特征并不是处处相同,而是逐渐变化的,从而导致材料在宏观上具有随着位置连续变化的力学性能.描述了一致和非一致随机分布复合材料结构的特征及其细观表征方法,并建立了统计的二阶双尺度计算公式,讨论了材料的弹性极限强度准则.最后,针对不同的非一致随机分布复合材料,预测了材料的力学参数并与实验数据进行了对比.结果表明,统计的二阶双尺度方法对于预测非一致随机分布复合材料的力学参数是有效的. 关键词： 统计二阶双尺度方法 非一致随机分布 复合材料结构     

Two-Scale Picard Stabilized Finite Volume Method for the Incompressible Flow

In this paper, we consider a two-scale stabilized finite volume method for the two-dimensional stationary incompressible flow approximated by the lowest equal-order element pair $P_1-P_1$ which does not satisfy the inf-sup condition. The two-scale method consists of solving a small non-linear system on the coarse mesh and then solving a linear Stokes equations on the fine mesh. Convergence of the optimal order in the $H^1$-norm for velocity and the $L^2$-norm for pressure is obtained. The error analysis shows there is the same convergence rate between the two-scale stabilized finite volume solution and the usual stabilized finite volume solution on a fine mesh with relation $h =\mathcal{O}(H^2)$. Numerical experiments completely confirm theoretic results. Therefore, this method presented in this paper is of practical importance in scientific computation.     

In-plane attenuation zone and its optimization in a plate with periodic holes

It is difficult to design a plate with wide attenuation zones in low frequency region based on Bragg scattering mechanism. A plate with periodic rhombic holes is optimized and designed. Based on the finite element method under periodic boundary conditions, the in-plane dispersion curves of periodically perforated plate are calculated via COMSOL. The frequency responses of periodically perforated plate axe investigated via ANSYS simulation. The plates with periodic holes are suspended and dynamically tested under sinusoidal excitations. The results show that a periodically perforated plate with rhombus holes has wider attenuation zones than plates with circular and hexagonal holes. Material properties have a great influence on attenuation zones: nitrile-butadiene rubber and silicon rubber can easily obtain low-frequency zones, while increasing porosity creates lower and wider zones. The width of attenuation zone increases as the horizontal angle of the rhombus holes increases. An analysis of the attenuation zones* generation mechanism shows that the plate with periodic holes exhibits characteristics of Bragg scattering and local resonant phononic crystal, indicating an inherent relationship between two types of mechanisms. The optimized plate has a complete attenuation zone ranging from 5281.76-8824.30 Hz. The vibrations are significantly reduced when the number of periods is no less than two. The attenuation range obtained via the numerical method is generally consistent with the experiment. The research sheds light on the noise insulation plate and has the potential to improve the sound environment in various applications due to its simple manufacturing.     

The band gap and transmission characteristics investigation of local resonant quaternary phononic crystals with periodic coating

In this article, the investigation of the Lamb wave propagation in two-dimensional phononic crystals (PCs) composed of an array of periodic coating on a thin plate is presented. Compared with the traditional PCs usually consist of cylindrical scatters with uniform coatings in their exterior structure, the newly exterior coating structures with periodic alternant arrangement of two different materials are proposed. The band structures are calculated using finite element method. We discover that a complete band gap can be exhibited at low frequency. Furthermore, for a finite PCs plate, the computed transmission and resonance spectra shown an evident resonance nature which can be directly related to formation of the low-frequency gaps. The effects of different material parameters and arrangement mode of coating on the acoustic energy transmission and attenuation are also studied. Finally, the experimental transmission spectrum of the periodic coating PCs are also presented and compared with the numerical results. This study will provide useful support to the design of tuning band gaps and isolators in the low-frequency range.     

Multi-scale method study of nano-void under the shock wave

The dynamic behavior of nano-void in metal Al under shock loading is simulated by using the multi-scale numerical simulation method. This method couples the molecular dynamics method used in local defect domain and the finite element method overall domain. The macroscopic failure of material is analyzed based on the microscopic dynamic behavior of nano-void. Our results show that the collapse of nano-void depends on the shock strength. Both a high and a low stress region are formed in the region of void after void collapse, whereas only a low stress region is formed under no collapse. The local hot spot is displayed in the temperature field, and a detailed analysis reveals that the hot point initiation is caused by recompression of atoms in void.     

Flows with suspended and floating particles

The evolution of the configuration of a set of particles dispersed in a flowing liquid is crucial in many applications such as sedimentation, slurry transport, rheology and structured arrays of micro- and nano-particles. Direct simulation based on what is called fictitious domain method coupled with finite element method has been used to study particulate flows and sedimentation process. Here we extend the previously proposed formulations to naturally include buoyancy force and the capillary driven attraction or repulsion of particles located at fluid interfaces. The set of differential equations is discretized using a fully implicit-fully coupled fictitious domain/finite element approach, avoiding numerical instabilities that may arise from explicit integration. The proposed formulation and implementation are validated by comparing the predictions of simple 2D flows to available numerical or analytical solutions. The method is then used to analyze the flotation of 2D particles and capillary driven aggregation at fluid interfaces.     

Efficient broadband simulations for thin optical structures

The thickness of the layers comprising optical structures is usually very thin. When modelling such thin features using a traditional numerical method, for instance the transmission-line modelling (TLM) method, a very small space step is often used to properly discretize the material geometry. This consequently results in large memory storage and longer run time. In this paper a new technique embedding thin structures between TLM nodes is investigated. The key features of this technique are the acquisition of the formulations in the frequency domain and the utilisation of digital filter theory and an inverse Z transform to change the formulations to the time domain. This technique has been successfully applied to calculate the reflection and transmission coefficients of optical structures incorporating thin layers, including antireflection coatings and fibre Bragg grating structures.