Multi-component chemo-mechanics based on transport relations for the chemical potential
Multi-component chemo-mechanics based on transport relations for the chemical potential
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DOI：
10.1016/j.cma.2020.113029
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发表时间：
2020-06-15
影响因子：
7.2
通讯作者：
Raabe, D.
中科院分区：
文献类型：
--
作者：
Shanthraj, P.;Liu, C.;Raabe, D.
制定了包含多种化学成分的有限应变弹粘塑性材料的化学机械模型，并开发了有效的数值实现来解决由此产生的输运关系。数值解依赖于化学势本构模型的反演。在这项工作中，导出了一般族多组分正则解化学自由能模型的半解析反演。这是基于将化学自由能分为隐式处理的凸贡献和显式处理的非凸贡献。这导致系统输运方程根据化学势而不是成分作为独立场变量重新表述。通过有限元离散化的重构系统的数值条件得到了显着改善，并且在二元旋节线分解的情况下证明了对 Cahn-Hilliard 解的收敛性。然后研究化学机械耦合的二元和三元旋节线分解系统，以说明在更复杂的材料系统中所产生的旋节线形态的各向异性弹性变形和塑性松弛的影响。 (C) 2020 作者。由 Elsevier B.V. 出版
A chemo-mechanical model for a finite-strain elasto-viscoplastic material containing multiple chemical components is formulated and an efficient numerical implementation is developed to solve the resulting transport relations. The numerical solution relies on inverting the constitutive model for the chemical potential. In this work, a semi-analytical inversion for a general family of multi-component regular-solution chemical free energy models is derived. This is based on splitting the chemical free energy into a convex contribution, treated implicitly, and a non-convex contribution, treated explicitly. This results in a reformulation of the system transport equations in terms of the chemical potential rather than the composition as the independent field variable. The numerical conditioning of the reformulated system, discretised by finite elements, is shown to be significantly improved, and convergence to the Cahn-Hilliard solution is demonstrated for the case of binary spinodal decomposition. Chemo-mechanically coupled binary and ternary spinodal decomposition systems are then investigated to illustrate the effect of anisotropic elastic deformation and plastic relaxation of the resulting spinodal morphologies in more complex material systems. (C) 2020 The Author(s). Published by Elsevier B.V.