大应变下化学-热力学耦合的数值模型及其在热致伸缩性水凝胶中的应用

IF 3.7 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS
Florian Brunner, Tristan Seidlhofer, Manfred H. Ulz
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引用次数: 0

摘要

这项工作的目的是推导和检验一种材料模型,该模型考虑到了大弹性变形以及物种扩散和热效应。这种化学热力学材料模型的数值计算有三个关键方面。首先,将变形梯度乘法分为机械、膨胀和热三部分。其次,在数值设计中采用温度标度梯度,包括对称切线;第三,采用耗散势来模拟耗散效应。此外,推导出的通用材料模型专门用于热膨胀性水凝胶,以研究其对相关材料类别的预测能力。建立了适当的有限元公式,并讨论了其实施。研究了包括相变和稳定现象在内的数值示例,以验证推导出的化学热力学材料模型正确预测相关物理效应的能力。我们将结果与文献中的既定模型进行了比较,并讨论了新出现的偏差。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

A numerical model for chemo-thermo-mechanical coupling at large strains with an application to thermoresponsive hydrogels

A numerical model for chemo-thermo-mechanical coupling at large strains with an application to thermoresponsive hydrogels

The aim of this work is the derivation and examination of a material model, accounting for large elastic deformations, coupled with species diffusion and thermal effects. This chemo-thermo-mechanical material model shows three key aspects regarding its numerical formulation. Firstly, a multiplicative split of the deformation gradient into a mechanical, a swelling and a thermal part. Secondly, temperature-scaled gradients for a numerical design comprising symmetric tangents and, thirdly, dissipation potentials for the modelling of dissipative effects. Additionally, the derived general material model is specialised to thermoresponsive hydrogels to study its predictive capabilities for a relevant example material class. An appropriate finite element formulation is established and its implementation discussed. Numerical examples are investigated, including phase transition and stability phenomena, to verify the ability of the derived chemo-thermo-mechanical material model to predict relevant physical effects properly. We compare our results to established models in the literature and discuss emerging deviations.

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来源期刊
Computational Mechanics
Computational Mechanics 物理-力学
CiteScore
7.80
自引率
12.20%
发文量
122
审稿时长
3.4 months
期刊介绍: The journal reports original research of scholarly value in computational engineering and sciences. It focuses on areas that involve and enrich the application of mechanics, mathematics and numerical methods. It covers new methods and computationally-challenging technologies. Areas covered include method development in solid, fluid mechanics and materials simulations with application to biomechanics and mechanics in medicine, multiphysics, fracture mechanics, multiscale mechanics, particle and meshfree methods. Additionally, manuscripts including simulation and method development of synthesis of material systems are encouraged. Manuscripts reporting results obtained with established methods, unless they involve challenging computations, and manuscripts that report computations using commercial software packages are not encouraged.
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