Orientation effects in nanoindentation of single crystal copper

Numerical simulations and experimental results of nanoindentation on single crystal copper in three crystallographic orientations [(1 0 0), (0 1 1) and (1 1 1)] using a spherical indenter (3.4 μm radius) were reported. The simulations were conducted using a commercial finite element code (ABAQUS) with a user-defined subroutine (VUMAT) that incorporates large deformation crystal plasticity constitutive model. This model can take full account of the crystallographic slip as well as the orientation effects during nanoindentation. Distributions of the out-of-plane displacements and shear stresses as well as shear strains were obtained for indentation depths of up to 310 nm. The experimental studies were conducted using an MTS Nano Indenter (XP) system from which the load–displacement relationships were obtained while the surface topography as well as the surface profile along a line scan of indents were obtained using a Digital Instruments (Dimension 3100) atomic force microscope (AFM). The top views of the indent pile-up patterns under the spherical indenter show two-fold, three-fold, and four-fold symmetries for the (0 1 1), (1 1 1), and (1 0 0) orientations, respectively. Attempt was made to relate the anisotropic nature of the surface topographies around the indents in different crystallographic orientations of the single crystal copper specimens with the active slip systems and local texture variations. A reasonably good agreement had been obtained on several aspects of nanoindentation between the experimental and numerical results reported in this investigation as well as similar results reported in the literature. Thus, material properties of single crystal copper can be determined based on an appropriate numerical modeling of the nanoindentation on three crystallographic orientations.     

Multiscale modeling of the plasticity in an aluminum single crystal

This paper describes a numerical, hierarchical multiscale modeling methodology involving two distinct bridges over three different length scales that predicts the work hardening of face centered cubic crystals in the absence of physical experiments. This methodology builds a clear bridging approach connecting nano-, micro- and meso-scales. In this methodology, molecular dynamics simulations (nanoscale) are performed to generate mobilities for dislocations. A discrete dislocations numerical tool (microscale) then uses the mobility data obtained from the molecular dynamics simulations to determine the work hardening. The second bridge occurs as the material parameters in a slip system hardening law employed in crystal plasticity models (mesoscale) are determined by the dislocation dynamics simulation results. The material parameters are computed using a correlation procedure based on both the functional form of the hardening law and the internal elastic stress/plastic shear strain fields computed from discrete dislocations. This multiscale bridging methodology was validated by using a crystal plasticity model to predict the mechanical response of an aluminum single crystal deformed under uniaxial compressive loading along the [4 2 1] direction. The computed strain-stress response agrees well with the experimental data.     

A micro mechanical study on failure initiation of dual phase steels under tension using single crystal plasticity model

Both experimental and numerical methods were employed to investigate the mechanism of failure in dual phase steels. The tensile test was interrupted in different steps to capture the mechanism of void initiation and void growth during material failure. The results can be considered as a first report for the commercial DP800 steel. Numerical simulations, which were carried out using the real micro-structure, are able to predict the void initiation in the material. In addition, through the numerical simulation a new understanding of the deformation localization was gained. Deformation localization, which causes severely deformed regions in the material, is most probably the main source of rupture in the final stages of the failure. In the SEM micrographs of the material after failure some voids are observable which can validate the results obtained by the simulation.     

细观尺度下塑料粘结炸药热点生成的初步模拟

采用有限元与离散元相结合的方法模拟了塑料粘结炸药在冲击载荷下热点生成的细观过程,计算中炸药晶体采用有限元法,粘结剂采用离散元法。结果表明热点多集中在晶体间变形较大的粘结剂部分,粘结剂与晶体间冲击波的相互作用是热点生成的重要原因;HMX晶体温度明显低于粘结剂,且晶体边界温度高于内部温度。     

纳米级石墨晶体层片力学性能的等效模型及分析

石墨晶体是由碳原子以sp2杂化轨道和邻近的三个碳原子形成共价键,在其平面内再构成网状层片结构。文中对基于原子键合力能关系的CCBE等效模型和经典的BEAM单元等效模型作了比较分析。其中CCBE包括两个节点,每个节点包含三个平移自由度。与经典BEAM单元相比,其两个节点均没有转动自由度。CCBE和BEAM单元的各个参数可以通过石墨晶体的相关实验获得。通过对石墨晶体层片的拉伸、剪切等效模型的柔度(刚度)系数计算分析,并与实验数据相对比,验证了CCBE等效建模方法的正确性和合理性。该等效建模方法为研究石墨的微观结构、性能等提供了一种有效的数值模拟方法。     

Multiscale material modeling and its application to a dynamic crack propagation problem

Here we present a multiscale field theory for modeling and simulation of multi-grain material system which consists of several different kinds of single crystals and a large number of different kinds of discrete atoms. The theoretical construction of the multiscale field theory is briefly introduced. The interatomic forces are used to formulate the governing equations for the system. A compact tension specimen made of magnesium oxide is modeled by discrete atoms in front of the crack tip and finite elements in the far field. Results showing crack propagation through the atomic region are presented.     

Flexural wave bandgap properties of phononic crystal beams with interval parameters

Uncertainties are unavoidable in practical engineering, and phononic crystals are no exception. In this paper, the uncertainties are treated as the interval parameters,and an interval phononic crystal beam model is established. A perturbation-based interval finite element method(P-IFEM) and an affine-based interval finite element method(A-IFEM) are proposed to study the dynamic response of this interval phononic crystal beam, based on which an interval vibration transmission analysis can be easi...     

带自由表面水流与离散颗粒耦合模型研究

基于考察泥沙运动的细观行为特征,采用离散单元法(DEM)模拟泥沙颗粒运动,结合带自由表面的水动力学计算模型,建立了CFD-DEM耦合数值模型。计算程序开发基于Fortran语言来实现。耦合模型中实现了硬球模型和软球模型两种颗粒碰撞模型,应用范围较广。作为自由表面水流与泥沙颗粒流数值模型的初步研究,在模型建立的基础上,对模型做了基本的验证。分别通过单颗粒静水沉降和混合颗粒群分选两个计算工况,验证了模型的正确性及模拟精度。该耦合模型可进一步丰富带自由表面水流条件下泥沙运动的研究手段。     

A theory and a simulation capability for the growth of a solid electrolyte interphase layer at an anode particle in a Li-ion battery

A major mechanism for electrochemical aging of Li-ion batteries is the growth of a solid electrolyte interphase (SEI) layer on the surface of anode particles, which leads to capacity fade and also results in a rise in cell resistance. We have formulated a continuum theory for the growth of an SEI layer—a theory which accounts for the generation of the attendant growth stresses. The theory has been numerically implemented in a finite-element program. This simulation capability for SEI growth is coupled with our previously published chemo-mechanical simulation capability for intercalation of Li-ions in electrode particles. Using this new combined capability we have simulated the formation and growth of an SEI layer during cyclic lithiation and delithiation of an anode particle, and predicted the evolution of the growth stresses in the SEI layer. The evolution of the stress state within the SEI layer and at the SEI/anode-particle interface for spherical- and spheroidal-shaped graphite particles is studied. This knowledge of the local interfacial stresses provides a good estimate for the propensity of potential delamination of an SEI layer from an anode particle.     

The coupling method for torsion problem of the square cross-section bar with cracks

By coupling natural boundary element method (NBEM) with FEM based on domain decomposition, the torsion problem of the square cross-sections bar with cracks have been studied, the stresses of the nodes of the cross-sections and the stress intensity factors have been calculated, and some distribution pictures of the stresses have been drawn. During computing, the effect of the relaxed factors to the convergence speed of the iterative method has been discussed. The results of the computation have confirmed the advantages of the NBEM and its coupling with the FEM. Foundation item: the State Key Laboratory of Science and Engineering Computation Biography: ZHAO Hui-ming (1971-)     

Analyzing the orientation dependence of stresses in polycrystals using vertices of the single crystal yield surface and crystallographic fibers of orientation space

The influence of the polygonal geometry of the restricted slip-associated yield surface on the distribution of stresses over a polycrystalline aggregate is examined. The vertices of the yield surface (stress states corresponding to polyslip) are grouped according to symmetries imposed by crystal structure. A measure of coaxiality between crystal stresses and yield surface vertex stresses is used to quantify the proximity of the stress in each crystal to a yield surface vertex. It is shown that for prescribed stress states, crystal stresses align more closely with certain families of vertices than with others and this relation between crystal and vertex stresses is found to depend on crystallographic fibers. Using this information, the stress distributions from finite element simulations of face centered cubic polycrystals are analyzed for different stress states ranging from uniaxial to balanced biaxial. Over the fundamental region of orientations, the propensity for the stress to align with a vertex is demonstrated. Further, the stresses in elements contributing to certain crystallographic fibers are shown to favor the vertex families aligned with those fibers. The implications of these results on mechanical behaviors, especially with respect to those observed in diffraction experiments, are discussed.     

海冰动力学数值模拟中改进的PIC方法

为了准确地模拟海冰的动力过程,需要建立精确有效的数值方法。本文结合质点网格法(PIC)和光滑质点流体动力学方法(SPH)发展了一种改进的PIC方法。该方法在欧拉坐标下对海冰动量方程进行差分计算,在拉格朗日坐标下进行海冰质点位移、厚度和密集度计算,并采用Gauss函数进行欧拉网格点与拉格朗日质点间海冰参数的交互插值。采用改进的PIC方法对规则区域内的海冰堆积过程进行了数值试验,对渤海海冰的动力过程进行了72小时数值模拟。计算结果均表明改进的PIC方法具有计算量小,计算结果平稳精确的优点,可很好地适用于海冰动力作用过程的数值模拟。     

Anisotropic adaptive finite element method for magnetohydrodynamic flow at high Hartmann numbers

This paper presents an anisotropic adaptive finite element method (FEM) to solve the governing equations of steady magnetohydrodynamic (MHD) duct flow. A residual error estimator is presented for the standard FEM, and two-sided bounds on the error independent of the aspect ratio of meshes are provided. Based on the Zienkiewicz-Zhu estimates, a computable anisotropic error indicator and an implement anisotropic adaptive refinement for the MHD problem are derived at different values of the Hartmann number. The most distinguishing feature of the method is that the layer information from some directions is captured well such that the number of mesh vertices is dramatically reduced for a given level of accuracy. Thus, this approach is more suitable for approximating the layer problem at high Hartmann numbers. Numerical results show efficiency of the algorithm.     

A finite element method for analysis of fluid flow,heat transfer and free interfaces in Czochralski crystal growth

A finite element algorithm is presented for simultaneous calculation of the steady state, axisymmetric flows and the crystal, melt/crystal and melt/ambient interface shapes in the Czochralski technique for crystal growth from the melt. The analysis is based on mixed Lagrangian finite element approximations to the velocity, temperature and pressure fields and isoparametric approximations to the interface shape. Galerkin's method is used to reduce the problem to a non-linear algebraic set, which is solved by Newton's method. Sample solutions are reported for the thermophysical properties appropriate for silicon, a low-Prandtl-number semiconductor, and for GGG, a high–Prandtl–number oxide material. The algorithm is capable of computing solutions for both materials at realistic values of the Grashof number, and the calculations are convergent with mesh refinement. Flow transitions and interface shapes are calculated as a function of increasing flow intensity and compared for the two material systems. The flow pattern near the melt/gas/crystal tri-junction has the asymptotic form predicted by an inertialess analysis assuming the meniscus and solidification interfaces are fixed.     

铁路道床有砟-无砟过渡段动力特性的DEM-FEM耦合分析

针对铁路道床有砟-无砟过渡段的结构特点,采用离散元-有限元耦合模型分析散体道砟和无砟道床间过渡段的动力特性。散体道砟道床和无砟道床分别采用离散元方法 DEM和有限元方法 FEM模拟,而在过渡段将道砟颗粒嵌入无砟道床以增加道砟颗粒与无砟道床间的咬合力,并在离散元和有限元耦合区域实现了力学参数的传递。采用以上DEM-FEM耦合方法对有砟-无砟道床及其过渡段在列车荷载作用下的沉降过程进行了数值分析。计算结果表明,离散元方法中道砟颗粒间的力链呈现非对称梯形分布,其与有限元方法中的应力分布趋势一致;采用嵌入式道砟颗粒的方法可以增加有砟-无砟过渡段道砟间的咬合力,有效约束道砟颗粒的位移,减少有砟-无砟道床间的沉降差异。本文计算模型可以合理地分析有砟道床的力链分布以及无砟道床的应力分布,确定列车荷载下道床有砟-无砟过渡段的动力学行为。     

Discrete element-embedded finite element model for simulation of soft particle motion and deformation

The motion and deformation of soft particles are commonly encountered and important in many applications. A discrete element-embedded finite element model (DEFEM) is proposed to solve soft particle motion and deformation, which combines discrete element and finite element methods. The collisional surface of soft particles is covered by several dynamical embedded discrete elements (EDEs) to model the collisional external forces of the particles. The particle deformation, motion, and rotation are independent of each other in the DEFEM. The deformation and internal forces are simulated using the finite element model, whereas the particle rotation and motion calculations are based on the discrete element model. By inheriting the advantages of existing coupling methods, the contact force and contact search between soft particles are improved with the aid of the EDE. Soft particle packing is simulated using the DEFEM for two cases: particle accumulation along a rectangular straight wall and a wall with an inclined angle. The large particle deformation in the lower layers can be simulated using current methods, where the deformed particle shape is either irregular in the marginal region or nearly hexagonal in the tightly packed central region. This method can also be used to simulate the deformation, motion, and heat transfer of non-spherical soft particles.     

Condensed Galerkin element of degree m for first-order initial-value problem with O(h2m+2) super-convergent nodal solutions

A new type of Galerkin finite element for first-order initial-value problems(IVPs) is proposed. Both the trial and test functions employ the same m-degreed polynomials. The adjoint equation is used to eliminate one degree of freedom(DOF) from the test function, and then the so-called condensed test function and its consequent condensed Galerkin element are constructed. It is mathematically proved and numerically verified that the condensed element produces the super-convergent nodal solutions of...     

Mixed finite element and differential quadrature method for free and forced vibration and buckling analysis of rectangular plates

This paper presents a combined application of the finite element method (FEM) and the differential quadrature method (DQM) to vibration and buckling problems of rectangular plates. The proposed scheme combines the geometry flexibility of the FEM and the high accuracy and efficiency of the DQM. The accuracy of the present method is demonstrated by comparing the obtained results with those available in the literature. It is shown that highly accurate results can be obtained by using a small number of finite elements and DQM sample points. The proposed method is suitable for the problems considered due to its simplicity and potential for further development.     

An efficient very large eddy simulation model for simulation of turbulent flow

Among the various hybrid methodologies, Speziale's very large eddy simulation (VLES) is one that was proposed very early. It is a unified simulation approach that can change seamlessly from Reynolds Averaged Navier–Stokes (RANS) to direct numerical simulation (DNS) depending on the numerical resolution. The present study proposes a new improved variant of the original VLES model. The advantages are achieved in two ways: (i) RANS simulation can be recovered near the wall which is similar to the detached eddy simulation concept; (ii) a LES subgrid scale model can be reached by the introduction of a third length scale, that is, the integral turbulence length scale. Thus, the new model can provide a proper LES mode between the RANS and DNS limits. This new methodology is implemented in the standard k ? ? model. Applications are conducted for the turbulent channel flow at Reynolds number of Re_τ = 395, periodic hill flow at Re = 10,595, and turbulent flow past a square cylinder at Re = 22,000. In comparison with the available experimental data, DNS or LES, the new VLES model produces better predictions than the original VLES model. Furthermore, it is demonstrated that the new method is quite efficient in resolving the large flow structures and can give satisfactory predictions on a coarse mesh. Copyright © 2012 John Wiley & Sons, Ltd.     

Dynamics of dual pontoon floating structure for cage aquaculture in a two-dimensional numerical wave tank

The trend of using floating structures with cage aquaculture is becoming more popular in the open sea. The purpose of this paper is to investigate the dynamic properties of a dual pontoon floating structure (DPFS) when attached to a fish net by using physical and numerical models. A two-dimensional (2-D) fully nonlinear numerical wave tank (NWT), based on the boundary element method (BEM), is developed to calculate the wave forces on the DPFS. The wave forces on a fish net system are then evaluated using a modified Morison equation. The comparisons of dynamic behaviors between numerical simulations and experimental measurements on the DPFS show good agreement. Results also display that a fish net system causes the resonant response of body motions and mooring forces to be slightly lower due to the net's damping effect. Finally, for designing the rearing space of cage aquaculture, the influences which net depth and net width have on the DPFS dynamic responses are also presented in this paper.