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1.
Twinning has been incorporated into a crystal plasticity model with the regularized Schmid law. In order to account for the appearance of twin-related orientations, a new probabilistic twin reorientation scheme that maintains the number of reoriented grains consistent with the accumulated deformation by twinning within the polycrystalline element, has been developed. A hardening rule describing slip–twin interactions has been also proposed. Model predictions concerning material response and texture evolution have been analyzed for fcc materials of low stacking fault energy.  相似文献   

2.
The purpose of the current work is the development of a phase field model for dislocation dissociation, slip and stacking fault formation in single crystals amenable to determination via atomistic or ab initio methods in the spirit of computational material design. The current approach is based in particular on periodic microelasticity (Wang and Jin, 2001, Bulatov and Cai, 2006, Wang and Li, 2010) to model the strongly non-local elastic interaction of dislocation lines via their (residual) strain fields. These strain fields depend in turn on phase fields which are used to parameterize the energy stored in dislocation lines and stacking faults. This energy storage is modeled here with the help of the ”interface” energy concept and model of Cahn and Hilliard (1958) (see also Allen and Cahn, 1979, Wang and Li, 2010). In particular, the “homogeneous” part of this energy is related to the “rigid” (i.e., purely translational) part of the displacement of atoms across the slip plane, while the “gradient” part accounts for energy storage in those regions near the slip plane where atomic displacements deviate from being rigid, e.g., in the dislocation core. Via the attendant global energy scaling, the interface energy model facilitates an atomistic determination of the entire phase field energy as an optimal approximation of the (exact) atomistic energy; no adjustable parameters remain. For simplicity, an interatomic potential and molecular statics are employed for this purpose here; alternatively, ab initio (i.e., DFT-based) methods can be used. To illustrate the current approach, it is applied to determine the phase field free energy for fcc aluminum and copper. The identified models are then applied to modeling of dislocation dissociation, stacking fault formation, glide and dislocation reactions in these materials. As well, the tensile loading of a dislocation loop is considered. In the process, the current thermodynamic picture is compared with the classical mechanical one as based on the Peach-Köhler force.  相似文献   

3.
基于Ginzburg-Landau动力学控制方程建立了NiTi形状记忆合金非等温相场模型,实现了对NiTi合金内应力诱导马氏体相变的数值模拟。同时将晶界能密度引入系统局部自由能密度,从而考虑多晶系统中晶界的重要作用。数值计算了单晶和多晶NiTi形状记忆合金在单轴机械载荷作用下微结构的动态演化过程和宏观力学行为,并重点研究了晶粒尺寸为60 nm的NiTi纳米多晶在低应变率下(0.0005~15 s?1)力学行为的本征应变率敏感性。研究结果表明,单晶NiTi合金系统高温拉伸-卸载过程中马氏体相变均匀发生,未形成奥氏体-马氏体界面。而纳米多晶系统在加载阶段出现了马氏体带的形成-扩展现象,在卸载阶段出现了马氏体带的收缩-消失现象。相同外载作用过程中,NiTi单晶系统的宏观应力-应变曲线具有更大的滞回环面积,拥有更优的超弹性变形能力。计算结果显示,在中低应变率下纳米晶NiTi形状记忆合金应力-应变关系表现出较明显的应变率相关性,应变率升高导致材料相变应力提升。这一应变率相关性主要源于相场模型中外加载荷速率与马氏体空间演化速度的相互竞争关系。  相似文献   

4.
We present dislocation simulations involving the collective behavior of partials and extended full dislocations in nanocrystalline materials. While atomistic simulations have shown the importance of including partial dislocations in high strain rate simulations, the behavior of partial dislocations in complex geometries with lower strain rates has not been explored. To account for the dissociation of dislocations into partials we include the full representation of the gamma surface for two materials: Ni and Al. During loading, dislocation loops are emitted from grain boundaries and expand into the grain interiors to carry the strain. In agreement with high strain rate simulations we find that Al has a higher density of extended full dislocations with smaller stacking fault widths than Ni. We also observe that configurations with smaller average grain size have a higher density of partial dislocations, but contrary to simplified analytical models we do not find a critical grain size below which there is only partial dislocation-mediated deformation. Our results show that the density of partial dislocations is stable in agreement with in situ X-ray experiments that show no increase of the stacking fault density in deformed nanocrystalline Ni (Budrovic et al., 2004). Furthermore, the ratio between partial and extended full dislocation contribution to strain varies with the amount of deformation. The contribution of extended full dislocations to strain grows beyond the contribution of partial dislocations as the deformation proceeds, suggesting that there is no well-defined transition from full dislocation- to partial dislocation-mediated plasticity based uniquely on the grain size.  相似文献   

5.
Polycrystalline yield surfaces of metals are a good way to characterize the anisotropy of plastic deformation. The evolution of these surfaces is impossible to accurately reproduce without taking into account the evolution of the material microstructure such as texture development. In this paper, a numerical computation of yield surfaces using the viscoplastic ?-model is proposed. Results concerning face-centered cubic metals subjected to a plane strain compression test are presented. The influence of several mechanical parameters (strain hardening, strain rate sensitivity coefficient and accumulated deformation) on subsequent yield surfaces evolution is studied. The analysis of the change in the shape and size of the yield surfaces shows that the results depend strongly on the parameter ? which controls the strength of the interactions in the polycrystal. In addition, the predictions are compared to the widely used viscoplastic self-consistent model as well as to experimental yield loci taken from the literature for various aluminum alloy sheets. A fairly good qualitative agreement between our ?-model results and the experimental ones is found. The probable links between the parameter ? and the microstructural features such as the stacking fault energy and the grain size of the polycrystal are also briefly discussed.  相似文献   

6.
We develop a nodal dislocation dynamics (DD) model to simulate plastic processes in fcc crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions, and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity and supports itself on information transmitted from the atomistic scale. In this fashion, connection between the meso and micro scales is attained self-consistently, with all material parameters fitted to atomistic data. We perform a series of targeted simulations to demonstrate the capabilities of the model, including dislocation reactions and dissociations and dislocation junction strength. Additionally we map the four-dimensional stress space relevant for cross-slip and relate our findings to the plastic behavior of monocrystalline fcc metals.  相似文献   

7.
An internal-state-variable based self-consistent constitutive model was proposed for unified prediction of flow stress and microstructure evolution during hot working of wrought two-phase titanium alloys in both single-beta region and two-phase region. For each constituent phase of titanium alloys, a set of constitutive equations incorporating solution strengthening, Hall–Petch effect, dislocation interaction, and dynamic recrystallization were developed using internal state variable method. The effect of second phase on recystallization was modeled by considering particle stimulated nucleation and exerting drag force on boundary migration. The constitutive equations of constituent phases were implemented into a viscoplastic self-consistent scheme to predict the overall response of the aggregate. Predictions of the model are in good agreement with experimental results of the Ti–6Al–4V alloy and IMI834 alloy. The model can reproduce many features of the hot working of two-phase titanium alloys, including the dependence of flow stress on temperature, strain rate and alloying elements; the increase of strain rate sensitivity with temperature; the stress and strain partitionings between alpha and beta phases; the relatively high apparent activation energy in two-phase region, the decrease of recrystallization kinetics with temperature in two-phase region; and the decrease of recrystallized grain size with Zener–Hollomon parameter in beta working.  相似文献   

8.
This paper presents a variational multi-scale constitutive model in the finite deformation regime capable of capturing the mechanical behavior of nanocrystalline (nc) fcc metals. The nc-material is modeled as a two-phase material consisting of a grain interior phase and a grain boundary effected zone (GBAZ). A rate-independent isotropic porous plasticity model is employed to describe the GBAZ, whereas a crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The constitutive models of both phases are formulated in a small strain framework and extended to finite deformation by use of logarithmic and exponential mappings. Assuming the rule of mixtures, the overall behavior of a given grain is obtained via volume averaging. The scale transition from a single grain to a polycrystal is achieved by Taylor-type homogenization where a log-normal grain size distribution is assumed. It is shown that the proposed model is able to capture the inverse Hall-Petch effect, i.e., loss of strength with grain size refinement. Finally, the predictive capability of the model is validated against experimental results on nanocrystalline copper and nickel.  相似文献   

9.
This paper proposes a nested dual-stage homogenization method for developing microstructure based continuum elasto-viscoplastic models for large secondary dendrite arm spacing or SDAS cast aluminum alloys. Microstructures of these alloys are characterized by extremely inhomogeneous distribution of inclusions along the dendrite cell boundaries. Traditional single-step homogenization methods are not suitable for this type of microstructure due to the size of the representative volume element (RVE) and the associated computations required for micromechanical analyses. To circumvent this limitation, two distinct RVE’s or statistically equivalent RVE’s are identified, corresponding to the inherent scales of inhomogeneity in the microstructure. The homogenization is performed in multiple stages for each of the RVE’s identified. The macroscopic behavior is described by a rate-dependent, anisotropic homogenization based continuum plasticity (HCP) model. Anisotropy and viscoplastic parameters in the HCP model are calibrated from homogenization of micro-variables for the different RVE’s. These parameters are dependent on microstructural features such as morphology and distribution of different phases. The uniqueness of the nested two-stage homogenization is that it enables evaluation of the overall homogenized model parameters of the cast alloy from limited experimental data, but also material parameters of constituents like inter-dendritic phase and pure aluminum matrix. The capabilities of the HCP model are demonstrated for a cast aluminum alloy AS7GU having a SDAS of 30 μm.  相似文献   

10.
We present the numerical implementation of a non-local polycrystal plasticity theory using the FFT-based formulation of Suquet and co-workers. Gurtin (2002) non-local formulation, with geometry changes neglected, has been incorporated in the EVP-FFT algorithm of Lebensohn et al. (2012). Numerical procedures for the accurate estimation of higher order derivatives of micromechanical fields, required for feedback into single crystal constitutive relations, are identified and applied. A simple case of a periodic laminate made of two fcc crystals with different plastic properties is first used to assess the soundness and numerical stability of the proposed algorithm and to study the influence of different model parameters on the predictions of the non-local model. Different behaviors at grain boundaries are explored, and the one consistent with the micro-clamped condition gives the most pronounced size effect. The formulation is applied next to 3-D fcc polycrystals, illustrating the possibilities offered by the proposed numerical scheme to analyze the mechanical response of polycrystalline aggregates in three dimensions accounting for size dependence arising from plastic strain gradients with reasonable computing times.  相似文献   

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