弹性微相分离的相场建模

IF 6 2区 工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
H. Oudich, P. Carrara, L. De Lorenzis
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引用次数: 0

摘要

我们提出了一种新的相场模型来预测聚合物凝胶中的弹性微相分离。为此,我们将Cahn-Hilliard自由能泛函扩展为包含弹性应变能和耦合项。这些贡献自然是从一个从熵弹性能量密度开始的推导中得到的,结合弱可压缩性的假设,在膨胀状态周围的二阶近似。所得项对应于孔隙弹性公式,其中耦合能项可以解释为溶剂在聚合物基体内的渗透功。此外,在总能量中包含一个卷积项,以模拟导致粗化捕获的非局部力。通过一维的解析推导和二维的有限元计算表明,力学变形控制着稳定相的组成、初始特征长度和时间、粗化速率和捕获特征长度。此外,我们证明了所提出的耦合能够在由干燥聚合物的刚度控制的长度尺度上预测粗化的停止。在相分离形态和特征长度随干燥聚合物刚度的标度方面,数值结果与实验结果非常吻合。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Phase-field modeling of elastic microphase separation
We propose a novel phase-field model to predict elastic microphase separation in polymer gels. To this end, we extend the Cahn-Hilliard free-energy functional to incorporate an elastic strain energy and a coupling term. These contributions are naturally obtained from a derivation that starts from an entropic elastic energy density combined with the assumption of weak compressibility, upon second-order approximation around the swollen state. The resulting terms correspond to those of a poroelastic formulation where the coupling energetic term can be interpreted as the osmotic work of the solvent within the polymer matrix. Additionally, a convolution term is included in the total energy to model non-local forces responsible for coarsening arrest. With analytical derivations in 1D and finite element computations in 2D we show that the mechanical deformation controls the composition of the stable phases, the initial characteristic length and time, the coarsening rates and the arrested characteristic length. Moreover, we demonstrate that the proposed coupling is able to predict the arrest of coarsening at a length scale controlled by the stiffness of the dry polymer. The numerical results show excellent agreement with the experimental evidence in terms of phase-separated morphology and scaling of the characteristic length with the stiffness of the dry polymer.
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来源期刊
Journal of The Mechanics and Physics of Solids
Journal of The Mechanics and Physics of Solids 物理-材料科学:综合
CiteScore
9.80
自引率
9.40%
发文量
276
审稿时长
52 days
期刊介绍: The aim of Journal of The Mechanics and Physics of Solids is to publish research of the highest quality and of lasting significance on the mechanics of solids. The scope is broad, from fundamental concepts in mechanics to the analysis of novel phenomena and applications. Solids are interpreted broadly to include both hard and soft materials as well as natural and synthetic structures. The approach can be theoretical, experimental or computational.This research activity sits within engineering science and the allied areas of applied mathematics, materials science, bio-mechanics, applied physics, and geophysics. The Journal was founded in 1952 by Rodney Hill, who was its Editor-in-Chief until 1968. The topics of interest to the Journal evolve with developments in the subject but its basic ethos remains the same: to publish research of the highest quality relating to the mechanics of solids. Thus, emphasis is placed on the development of fundamental concepts of mechanics and novel applications of these concepts based on theoretical, experimental or computational approaches, drawing upon the various branches of engineering science and the allied areas within applied mathematics, materials science, structural engineering, applied physics, and geophysics. The main purpose of the Journal is to foster scientific understanding of the processes of deformation and mechanical failure of all solid materials, both technological and natural, and the connections between these processes and their underlying physical mechanisms. In this sense, the content of the Journal should reflect the current state of the discipline in analysis, experimental observation, and numerical simulation. In the interest of achieving this goal, authors are encouraged to consider the significance of their contributions for the field of mechanics and the implications of their results, in addition to describing the details of their work.
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