晶粒的取向和变形性质对双晶体循环变形影响的模拟研究

应用晶体细观力学方法，分析了双晶体循环变形过程中组元晶粒取向及其变形性质（Ｂａｕｓｃｈｉｎｇｅｒ效应和循环硬化）的影响，发现双晶体的反向屈服及循环硬化行为为主要由组元晶粒性质支配，晶间内应力的影响是次要的，晶粒取向对宏微观应力应变行为有重要的影响，取向对称性较弱或罗硬差别较大的双晶体晶界影响较大。     

A crystallographic model for the orientation dependence of low cyclic fatigue property of a nickel-base single crystal superalloy

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Micro-experimental study of large plastic deformation for high-purity polycrystalline aluminum

This paper aims at revealing various micro- deformation characteristics, such as crystalline slip and grain boundary slide, which are recorded under scanning electronic microscope for high-purity aluminum tensile specimen at room temperature. These experimental data provide us direct evidence for shear localization near the grain boundary network via multi- directional grain boundary slide. The nonuniform deformation induced in the grain interiors would have decisive effect on the plastic flow and failure of polycrystalline materials. Sponsored by the National Natural Science Foundation of China and the Fok Ying- Tung Education Foundation.     

考虑两种晶界的各向异性双晶和三晶体晶界附近弹塑性应力场分析

采用率相关的晶体滑移有限元程序对具有不同晶体取向的双晶体晶界附近及三晶体三晶粒交汇处的弹塑性应力场进行了计算,考虑了几何晶界和物理晶界的影响.计算结果表明:双晶体及三晶体考虑几何晶界和物理晶界时,这两种晶界具有相同的应力分布趋势,只是物理晶界比几何晶界的应力集中程度小,双晶体晶界附近有较大的应力梯度,存在应力集中现象.三晶体三晶粒交汇处可能是应力集中之地也可能不造成应力集中,这主要取决于晶粒晶体取向及加载方向.由此可见,要准确理解金属材料的断裂过程,还需要从细观的角度对晶界的力学响应进行细致和深入的研究.     

Molecular dynamics study of deformation and fracture of Bi-segregated copper bicrystals

The microprocesses of deformation and fracture of Bi-segregated copper bicrystals Σ33 ( ) 58.99°, Σ11 ( ) 50.48° and Σ9 ( ) 38.94° have been simulated by molecular dynamics in order to study the relationship between the grain boundary embrittlement (GBE) and grain boundary (GB) structure. It is shown that GBE is related to the segregated concentration and distribution of Bi atoms, while Bi segregation is related to the GB structure. Due to their different structures, the bicrystals Σ33, Σ11 and Σ9 show an increasing propensity for Bi segregated concentration. So under the action of external force, Σ33, Σ11 and Σ9 show transgranular ductile, intergranular tearing and intergranular brittle fracture modes, respectively. The subject supported by the Chinese Academy of Sciences and National Natural Science Foundation of China     

Molecular dynamics studies on the local disordering of Σ3 and Σ11 grain boundaries in aluminium bicrystal

Molecular dynamics (MD) simulations using Morse interaction potential are performed in studies of [110] symmetrical tilt grain boundary (GB) structures with mis-orientation angles 50.5°(Σ11), 129.5°(Σ11), 70.5°(Σ3) and 109.5°(Σ3) at various tempratures. The GB structures are found to start local disordering at about 0.5T _m (T _m is the melting point of aluminium) for 50.5°(Σ11), 0.32T _m for 129.5° (Σ11) and 0.38T _m for 70.5°(Σ3), respectively. These results agree with conclusions deduced from the anelastic measurements. But, for twin-boundary structure 109.5°(Σ3), this disordering has not been found even when temperature increases up to 0.9T _m . The project supported by the National Natural Science Foundation of China and Laboratory for Non-linear Mechanics of Continuous Media, Institute of Mechanics, Academia Sinica.     

Multiaxial cyclic deformation and non-proportional hardening employing discriminating load paths

Some novel discriminating multiaxial cyclic strain paths with incremental and random sequences were used to investigate cyclic deformation behavior of materials with low and high sensitivity to non-proportional loadings. Tubular specimens made of 1050 QT steel with no non-proportional hardening and 304L stainless steel with significant non-proportional hardening were used. 1050 QT steel was found to exhibit very similar behavior under various multiaxial loading paths, whereas significant effects of loading sequence were observed for 304L stainless steel. In-phase cycles with a random sequence of axial-torsion cycles on an equivalent strain circle were found to cause cyclic hardening levels similar to 90° out-of-phase loading of 304L stainless steel. In contrast, straining with a small increment of axial-torsion on an equivalent strain circle results in higher stress than for in-phase loading of 304L stainless steel, but the level of hardening is lower than for 90° out-of-phase loading. Tanaka’s non-proportionality parameter coupled with a Armstrong–Fredrick incremental plasticity model, and Kanazawa et al.’s empirical formulation as a representative of such empirical models were used to predict the stabilized stress response of the two materials under variable amplitude axial-torsion strain paths. Consistent results between experimental observations and predictions were obtained by employing the Tanaka’s non-proportionality parameter. In contrast, the empirical model resulted in significant over-prediction of stresses for 304L stainless steel.     

A finite deformation analysis of polycrystal by considering the influence of grain boundary

By combining grain boundary (GB) and its influence zone, a micromechanic model for polycrystal is established for considering the influence of GB. By using the crystal plasticity theory and the finite element method for finite deformation, numerical simulation is carried out by the model. Calculated results display the microscopic characteristic of deformation fields of grains and are in qualitative agreement with experimental results.The project is supported by National Natural Science Foundation of China.     

Study on cyclic deformation and fatigue of thermal and magnetic shape memory alloys

形状记忆合金(包括热致和磁致形状记忆合金)由于其特有的超弹性和形状记忆效应, 一直以来受到学者和工程界人士广泛关注, 且已有诸多成功的工程应用案例.为了进一步拓展该类合金的工程应用范围, 对其热--力和磁--力耦合循环变形和疲劳失效行为的宏微观实验观察和理论模型研究成果进行了综述. 总结了NiTi和NiTiX两类合金材料的温度诱发(即热致)的热--力耦合循环变形和疲劳失效行为研究的最新成果; 对以NiMnGa合金为代表的磁场诱发(即磁致)的磁--力耦合循环变形和疲劳失效行为的研究现状进行了评述; 提出并预测了未来的研究方向及发展趋势.     

Effect of triaxial stress constraint on the deformation and fracture of polymers

One purpose of this paper is to give a brief overview on the research status of deformation, fracture and toughening mechanisms of polymers, including experimental, theoretical and numerical studies. Emphasis is on the more recent progresses of micromechanics of rubber particle cavitation and crazing, and the development of fracture criteria for ductile polymers. The other purpose is to study the effect of triaxial stress constraint on the deformation and fracture behavior of polymers. Polycarbonate (PC), acrylonitrile-butadienestyrene (ABS) and PC/ABS alloy are considered in this investigation. A series of circumferentially blunt-notched bars are used to experimentally generate different triaxial stress fields. The fracture surfaces of specimens with different notch radius are examined by scanning electron microscope (SEM) to study the fracture and toughening mechanisms of polymer alloy. It is shown that the triaxial stress constraint has a significant effect on the deformation, fracture and toughening of PC, ABS and PC/ABS alloy. We will also discuss the extent to which a micromechanics criterion proposed by the first author can serve as a fracture criterion for ductile polymers. A new ductile fracture parameter is emphasized, which can be employed to evaluate the fracture ductility of polymers. Stress state independence of the parameter for the PC, ABS and PC/ABS alloy has been experimentally verified. The project supported by the National Natural Science Foundation of China (10125212), the Trans-Century Training Program Foundation and the Key Research Fund of the Education Ministry of China (01159)     

Cyclic multiaxial and shear finite deformation response of OFHC: Part I,experimental results

A series of experiments has been conducted on oxygen free high conductivity (OFHC) copper hollow cylinders under cyclic free-end torsion and biaxial tension–torsion at large strains. In addition, equations are developed to account for the finite rotation and strains in electrical resistance strain gages. In free-end cyclic torsion experiments with shear strain range equal to 23%, a significant strain in the axial direction is observed and it accumulates with a constant rate cycle by cycle. In the biaxial tension–torsion (multiaxial ratchetting) experiments, in which the primary (constant) axial stress is larger than the initial yield stress of the material, the loading conditions are varied to determine the influence of primary axial stress, cyclic shear strain range, pre-cyclic hardening and loading sequence on multiaxial ratchetting. Some important experimental features are high-lighted and recommended to help modeling efforts later.     

Scale effect and geometric shapes of grains

The rule-of-mixture approach has become one of the widely spread ways to investigate the mechanical properties of nano-materials and nano-structures,and it is very important for the simulation results to exactly compute phase volume fractions.The nanocrystalline(NC)materials are treated as three-phase composites consisting of grain core phase,grain boundary(GB)phase and triple junction phase,and a two-dimensional three-phase mixture regular polygon model is established to investigate the scale effect of mechanical properties of NC materials due to the geometrical polyhedron characteristics of crystal grain.For different multi-sided geometrical shapes of grains,the corresponding regular polygon model is adopted to obtain more precise phase volume fractions and exactly predict the mechanical properties of NC materials.     

Simulation of polycrystal deformation with grain and grain boundary effects

Modeling the strengthening effect of grain boundaries (Hall-Petch effect) in metallic polycrystals in a physically consistent way, and without invoking arbitrary length scales, is a long-standing, unsolved problem. A two-scale method to treat predictively the interactions of large numbers of dislocations with grain boundaries has been developed, implemented, and tested. At the first scale, a standard grain-scale simulation (GSS) based on a finite element (FE) formulation makes use of recently proposed dislocation-density-based single-crystal constitutive equations (“SCCE-D”) to determine local stresses, strains, and slip magnitudes. At the second scale, a novel meso-scale simulation (MSS) redistributes the mobile part of the dislocation density within grains consistent with the plastic strain, computes the associated inter-dislocation back stress, and enforces local slip transmission criteria at grain boundaries.Compared with a standard crystal plasticity finite element (FE) model (CP-FEM), the two-scale model required only 5% more CPU time, making it suitable for practical material design. The model confers new capabilities as follows:

(1)

The two-scale method reproduced the dislocation densities predicted by analytical solutions of single pile-ups.

(2)

Two-scale simulations of 2D and 3D arrays of regular grains predicted Hall-Petch slopes for iron of 1.2 ± 0.3 MN/m^3/2 and 1.5 ± 0.3 MN/m^3/2, in agreement with a measured slope of 0.9 ± 0.1 MN/m^3/2.

(3)

The tensile stress-strain response of coarse-grained Fe multi-crystals (9-39 grains) was predicted 2-4 times more accurately by the two-scale model as compared with CP-FEM or Taylor-type texture models.

(4)

The lattice curvature of a deformed Fe-3% Si columnar multi-crystal was predicted and measured. The measured maximum lattice curvature near grain boundaries agreed with model predictions within the experimental scatter.

     

改进的SPH边界处理方法与土体大变形模拟

沙土滑坡往往会造成重大的人身财产损失,研究这类土体大变形问题对防灾工程具有指导意义。光滑粒子流体动力学SPH（Smoothed Particle Hydrodynamics）方法是一种拉格朗日型无网格粒子法,十分适用于模拟大变形问题。在SPH方法中,合适的边界处理方法一直是个难点,传统的边界虚粒子法或排斥力法较难模拟复杂边界。本文引入了一种能处理任意形状边界的方法——统一半解析壁面边界条件处理方法USAW（unified semi-analytical wall boundary conditions）,通过在控制方程中引入修正因子并保留边界面积分项来弥补边界缺失。为了更准确模拟问题域边界,提出无质量边界粒子的新概念。利用该方法成功模拟了土体滑坡算例,验证了方法的可靠性,并避免了边界零粒子层问题。通过数值模拟,分析了内摩擦角和黏聚力等土体物性参数对滑坡过程的影响。最后,应用该方法研究了滑坡冲击楔形体时的压力响应。     

Granular vortices: Identification,characterization and conditions for the localization of deformation

We relate the micromechanics of vortex evolution to that of force chain buckling and, on this basis, formulate the conditions for strain localization in a continuum model of dense granular media. Using the traditional bifurcation analysis of shear bands, we show that kinematic vortex fields are in fact solutions to the boundary value problem satisfying null boundary conditions. To establish an empirical basis for our study, we first develop a method to identify the location of the core and boundary of each vortex from a given displacement field in two dimensions. We then employ this method to characterize the residual deformation field (i.e., the deviation of particle motions from the continuum deformation) in a physical experiment and a discrete element simulation of dense granular samples submitted to biaxial compression. Vortices in the failure regime are essentially confined to the shear band. Primary vortices, the clear majority, rotate in the same direction as the shear band; secondary vortices, the so-called wakes, rotate in the opposite direction. Primary vortices align in spatial succession along the central axis of the band; wakes form next to the band boundaries, in between and beside two adjacent primary vortices. Force chain buckling, the governing mechanism for shear bands, is responsible for vortex formation in the failure regime. Vortex dynamics are consistent with stick-slip dynamics. From quiescent conditions of jamming or stick, vortical motions arise from force chain buckling and associated relative particle rotations and sliding; these in turn precipitate intermittent periods of unjamming or slip, evident in the attendant drops in stress ratio and bursts in both kinetic energy and local nonaffine deformation. A kinematic vortex field inside shear bands is proposed that is consistent with the equations of continuum mechanics and the underlying instability of force chain buckling: such a field is periodic with a repeating unit cell comprising a primary vortex at the center of the band, with two trailing wakes close next to the band boundaries.     

Three‐dimensional boundary element analysis of drop deformation in confined flow for Newtonian and viscoelastic systems

An adaptive (Lagrangian) boundary element approach is proposed for the general three‐dimensional drop deformation in confined flow. The adaptive method is stable as it includes remeshing capabilities of the deforming interface between drop and suspending fluid, and thus can handle large deformations. Both drop and surrounding fluid are viscous incompressible and can be Newtonian or viscoelastic. A boundary‐only formulation is implemented for fluids obeying the linear Jeffrey's constitutive equation. Similarly to the formulation for two‐dimensional Newtonian fluids (Khayat RE, Luciani A, Utracki LA. Boundary element analysis of planar drop deformation in confined flow. Part I. Newtonian fluids. Engineering Analysis of Boundary Elements 1997; 19 : 279), the method requires the solution of two simultaneous integral equations on the interface between the two fluids and the confining solid boundary. Although the problem is formulated for any confining geometry, the method is illustrated for a deforming drop as it is driven by the ambient flow inside a cylindrical tube. The accuracy of the method is assessed by comparison with the analytical solution for two‐phase radial spherical flow, leading to good agreement. The influence of mesh refinement is examined for a drop in simple shear flow. Copyright © 2000 John Wiley & Sons, Ltd.     

A comparison of boundary element and finite element methods for modeling axisymmetric polymeric drop deformation

A modified boundary element method (BEM) and the DEVSS‐G finite element method (FEM) are applied to model the deformation of a polymeric drop suspended in another fluid subjected to start‐up uniaxial extensional flow. The effects of viscoelasticity, via the Oldroyd‐B differential model, are considered for the drop phase using both FEM and BEM and for both the drop and matrix phases using FEM. Where possible, results are compared with the linear deformation theory. Consistent predictions are obtained among the BEM, FEM, and linear theory for purely Newtonian systems and between FEM and linear theory for fully viscoelastic systems. FEM and BEM predictions for viscoelastic drops in a Newtonian matrix agree very well at short times but differ at longer times, with worst agreement occurring as critical flow strength is approached. This suggests that the dominant computational advantages held by the BEM over the FEM for this and similar problems may diminish or even disappear when the issue of accuracy is appropriately considered. Fully viscoelastic problems, which are only feasible using the FEM formulation, shed new insight on the role of viscoelasticity of the matrix fluid in drop deformation. Copyright © 2001 John Wiley & Sons, Ltd.     

MOTION AND DEFORMATION OF VISCOUS DROP IN STOKES FLOW NEAR RIGID WALL

A boundary integral method was developed for simulating the motion and deformation of a viscous drop in an axisymmetric ambient Stokes flow near a rigid wall and for direct calculating the stress on the wall. Numerical experiments by the method were performed for different initial stand-off distances of the drop to the wall, viscosity ratios, combined surface tension and buoyancy parameters and ambient flow parameters. Numerical results show that due to the action of ambient flow and buoyancy the drop is compressed and stretched respectively in axial and radial directions when time goes. When the ambient flow action is weaker than that of the buoyancy the drop raises and bends upward and the stress on the wall induced by drop motion decreases when time advances. When the ambient flow action is stronger than that of the buoyancy the drop descends and becomes flatter and flatter as time goes. In this case when the initial stand-off distance is large the stress on the wall increases as the drop evolutes but when the stand-off distance is small the stress on the wall decreases as a result of combined effects of ambient flow, buoyancy and the stronger wall action to the flow. The action of the stress on the wall induced by drop motion is restricted in an area near the symmetric axis, which increases when the initial stand-off distance increases. When the initial stand-off distance increases the stress induced by drop motion decreases substantially. The surface tension effects resist the deformation and smooth the profile of the drop surfaces. The drop viscosity will reduce the deformation and migration of the drop.     

Effects of large deformation and material nonlinearity on spherical indentation of hyperelastic soft materials

Up to now, the indentation of hyperelastic soft materials has not been completely understood. In this paper, the spherical indentation on hyperelastic soft solids was systematically investigated through theoretical analysis and finite element method (FEM). The validation and application of the Hertzian load-displacement relation for indentation of hyperelastic soft materials were clarified, the effects of large deformation and material nonlinearity on spherical indentation of hyperelastic soft materials were analyzed and discussed. It was found that the complicated indentation behaviors of hyperelastic soft solids mainly depended on the coupling interactions of large deformation and material nonlinearity. Besides, we proposed two new nonlinear elastic contact models to separate the effects of large deformation and material nonlinearity on spherical indentation responses of hyperelastic soft solids. Our efforts might help to enhance the understanding of hyperelastic indentation problems and provided necessary instructions for the mechanical characterization of hyperelastic soft materials.