Recent advances in the evolution of interfaces: thermodynamics, upscaling, and universality

Recent advances in the evolution of interfaces: thermodynamics, upscaling, and universality
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界面演化的最新进展:热力学、升级和通用性

DOI:
10.1016/j.commatsci.2018.08.026
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发表时间:
2019
影响因子:
3.3
通讯作者:
Schmuck M
Schmuck M
中科院分区:
材料科学3区
文献类型:
--
作者:
Schmuck M

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我们考虑二元混合物渗透强非均质系统,如多孔介质中的界面的演变。为此,我们首先回顾现有的热力学配方的基础上一般可逆-不可逆耦合和相关的数学尝试制定一个非平衡变分原理,这些非平衡耦合可以确定为极小。在此基础上,我们研究了两个微观二元混合物配方完全解决异质/穿孔域:(a)通量驱动的不混溶流体配方没有流体流动;(B)动量驱动的准静态和不可压缩的速度场的配方。在这两种情况下,我们状态两个新的,可靠的放大方程的二元混合物/多相流体在强烈的非均质系统,系统地考虑到热力学特征,如自由能,以及系统的非均质性定义在微观尺度上,如几何形状和材料(如润湿性能)。在(a)的背景下,我们解开了一个普遍性的粗化率,由于其独立的系统的异质性,即众所周知的O(1/3)-行为均匀系统也适用于穿孔域。最后,相场方程的多功能性及其依赖于自由能的热力学基础,使得这里收集的最新进展非常有希望用于科学,工程和工业应用,我们为锂电池提供了一个例子。
We consider the evolution of interfaces in binary mixtures permeating strongly heterogeneous systems such as porous media. To this end, we first review available thermodynamic formulations for binary mixtures based on general reversible-irreversible couplings and the associated mathematical attempts to formulate a non-equilibrium variational principle in which these non-equilibrium couplings can be identified as minimizers. Based on this, we investigate two microscopic binary mixture formulations fully resolving heterogeneous/perforated domains:(a) a flux-driven immiscible fluid formulation without fluid flow;(b) a momentum-driven formulation for quasi-static and incompressible velocity fields. In both cases we state two novel, reliably upscaled equations for binary mixtures/multiphase fluids in strongly heterogeneous systems by systematically taking thermodynamic features such as free energies into account as well as the system’s heterogeneity defined on the microscale such as geometry and materials (eg wetting properties). In the context of (a), we unravel a universality with respect to the coarsening rate due to its independence of the system’s heterogeneity, ie the well-known O (t 1/3)-behaviour for homogeneous systems holds also for perforated domains. Finally, the versatility of phase field equations and their thermodynamic foundation relying on free energies, make the collected recent developments here highly promising for scientific, engineering and industrial applications for which we provide an example for lithium batteries.
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