Lennard-Jones原子玻璃弹塑性模型定量校准的见解

IF 1.3 4区 物理与天体物理 Q3 ASTRONOMY & ASTROPHYSICS Comptes Rendus Physique Pub Date : 2021-03-01 DOI:10.5802/CRPHYS.48
D. F. Castellanos, S. Roux, S. Patinet
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引用次数: 13

摘要

基于两种完全不同的数值描述,我们比较了模型非晶固体的宏观和局部塑性行为。一方面,我们通过原子模拟来模拟玻璃样品。另一方面,我们实现了一个基于固体力学描述的中尺度弹塑性模型。后者被扩展为通过统计分布的局部和离散弱平面来考虑屈服面的各向异性,在这些弱平面上可以激活剪切变换。为了使比较尽可能定量,我们考虑了准静态驱动的二维系统在静止流动状态下的简单情况,并比较了在相同长度尺度上在两个模型上测量的机械可观察性。我们表明,对于一系列弹塑性中尺度参数,宏观尺度响应,包括其波动,可以定量恢复。使用一种新开发的方法,可以在原子模拟中探测局部屈服应力,我们校准了弹塑性模型在不同粗粒度尺度下的局部力学响应。在这种情况下,校准仅对中尺度参数的优化子集和足够粗的探测长度尺度显示出定性一致性。这种校准使我们能够为介观单元建立一个长度尺度,该尺度对应于剪切变换尺寸的上限,剪切变换尺寸是弹塑性模型中的一个关键物理参数。我们发现某些性质自然地从弹塑性模型中显现出来。特别是,我们表明弹塑性模型再现了Bauschinger效应,即应力-应变响应中塑性诱导的各向异性。我们讨论了我们的方法的成功和失败,不同模型成分的影响,并提出了非晶塑性定量多尺度模型的未来研究方向。
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Insights from the quantitative calibration of an elasto-plastic model from a Lennard-Jones atomic glass
We compare the macroscopic and the local plastic behavior of a model amorphous solid based on two radically different numerical descriptions. On the one hand, we simulate glass samples by atomistic simulations. On the other, we implement a mesoscale elasto-plastic model based on a solid-mechanics description. The latter is extended to consider the anisotropy of the yield surface via statistically distributed local and discrete weak planes on which shear transformations can be activated. To make the comparison as quantitative as possible, we consider the simple case of a quasistatically driven two-dimensional system in the stationary flow state and compare mechanical observables measured on both models over the same length scales. We show that the macroscale response, including its fluctuations, can be quantitatively recovered for a range of elasto-plastic mesoscale parameters. Using a newly developed method that makes it possible to probe the local yield stresses in atomistic simulations, we calibrate the local mechanical response of the elasto-plastic model at different coarse-graining scales. In this case, the calibration shows a qualitative agreement only for an optimized subset of mesoscale parameters and for sufficiently coarse probing length scales. This calibration allows us to establish a length scale for the mesoscopic elements that corresponds to an upper bound of the shear transformation size, a key physical parameter in elasto-plastic models. We find that certain properties naturally emerge from the elasto-plastic model. In particular, we show that the elasto-plastic model reproduces the Bauschinger effect, namely the plasticity-induced anisotropy in the stress-strain response. We discuss the successes and failures of our approach, the impact of different model ingredients and propose future research directions for quantitative multi-scale models of amorphous plasticity.
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来源期刊
Comptes Rendus Physique
Comptes Rendus Physique 物理-天文与天体物理
CiteScore
2.80
自引率
0.00%
发文量
13
审稿时长
17.2 weeks
期刊介绍: The Comptes Rendus - Physique are an open acess and peer-reviewed electronic scientific journal publishing original research article. It is one of seven journals published by the Académie des sciences. Its objective is to enable researchers to quickly share their work with the international scientific community. The Comptes Rendus - Physique also publish journal articles, thematic issues and articles on the history of the Académie des sciences and its current scientific activity. From 2020 onwards, the journal''s policy is based on a diamond open access model: no fees are charged to authors to publish or to readers to access articles. Thus, articles are accessible immediately, free of charge and permanently after publication. The Comptes Rendus - Physique (8 issues per year) cover all fields of physics and astrophysics and propose dossiers. Thanks to this formula, readers of physics and astrophysics will find, in each issue, the presentation of a subject in particularly rapid development. The authors are chosen from among the most active researchers in the field and each file is coordinated by a guest editor, ensuring that the most recent and significant results are taken into account. In order to preserve the historical purpose of the Comptes Rendus, these issues also leave room for the usual notes and clarifications. The articles are written mainly in English.
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