基于位错密度的晶体塑性构造模型:VPSC 有效介质预测与 ρ-CP 有限元预测的比较

IF 18 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-04-15 DOI:10.1088/1361-651x/ad3e99
A. Patra, C N Tomé
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引用次数: 0

摘要

本研究提出了一种基于位错密度的晶体塑性组成模型,该模型适用于滑行动力学、强化和位错密度演化,在基于有效介质的粘弹性自洽(VPSC)框架和空间解析的ρ-CP 晶体塑性有限元框架中实施。此外,VPSC 框架还引入了粒内应力分布,而不是传统的有效介质计算中使用的晶粒应力平均值。首先校准了 ρ-CP 模型,以预测具有初始轧制纹理的 bcc 铁素体钢的机械响应。然后在 VPSC 中使用同一套构成模型参数来预测集合应力-应变响应和总位错密度。在这些 VPSC 模拟中,Eshelby 包体形式中控制晶粒与有效介质之间相互作用的相互作用参数和代表晶粒内部应力分布的标量参数用于校准 VPSC 预测,以便与 ρ-CP 模型的预测相匹配。为了解这两个参数对 VPSC 预测的影响,进行了参数研究。此外,还对随机无纹理多晶体进行了模拟,以确定相应的 VPSC 模拟参数,从而预测出与 ρ-CP 模型类似的响应。这项工作的新颖之处在于,在 VPSC 和 ρ-CP 中采用了同一套构成模型和相关参数,以预测类似的集合应力-应变响应和总位错密度。这种经过有限元校准的有效介质晶体塑性方法至少缩短了两个数量级的计算时间,是开发多尺度晶体塑性建模工具的一大进步。
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A Dislocation Density-Based Crystal Plasticity Constitutive Model: Comparison of VPSC Effective Medium Predictions with ρ-CP Finite Element Predictions
This work presents a dislocation density-based crystal plasticity constitutive model for glide kinetics, strengthening and dislocation density evolution, implemented in the effective medium-based Visco-Plastic Self Consistent (VPSC) framework and the spatially resolved, ρ-CP crystal plasticity finite element framework. Additionally, a distribution of intragranular stresses is introduced in the VPSC framework, instead of the conventionally used mean value of grain stress for effective medium calculations. The ρ-CP model is first calibrated to predict the mechanical response of a bcc ferritic steel with an initial rolled texture. The same set of constitutive model parameters are then used in VPSC to predict the aggregate stress-strain response and total dislocation densities. For these VPSC simulations, the interaction parameter governing the interaction between the grain and the effective medium in the Eshelby inclusion formalism, and a scalar parameter representative of the distribution of intragranular stresses within a grain, are used to calibrate the VPSC predictions in order to match the predictions of the ρ-CP model. A parametric study is performed to understand the effect of these two parameters on the VPSC predictions. Further, simulations are also performed for a random untextured polycrystal to identify the corresponding VPSC simulation parameters for predicting a similar response as the ρ-CP model. The novelty of the work is in that the same set of constitutive models and associated parameters have been implemented in VPSC and ρ-CP to predict similar aggregate stress-strain response and total dislocation densities. This finite element-calibrated effective medium crystal plasticity approach reduces the computational time by at least two orders of magnitude and represents an advance towards the development of multiscale crystal plasticity modeling tools.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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