Designing anisotropic microstructures with spectral density function
Designing anisotropic microstructures with spectral density function
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DOI：
10.1016/j.commatsci.2020.109559
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发表时间：
2019-08
影响因子：
3.3
通讯作者：
Akshay Iyer;Rabindra Dulal;Yichi Zhang;Umar Farooq Ghumman;T. Chien;G. Balasubramanian;Wei Chen
中科院分区：
文献类型：
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作者：
Akshay Iyer;Rabindra Dulal;Yichi Zhang;Umar Farooq Ghumman;T. Chien;G. Balasubramanian;Wei Chen
材料的微观结构是功能材料设计中的一个关键方面，因为它将加工条件与材料性能联系起来。以前的微结构介导设计的努力主要假设各向同性，这是不理想的应用程序中，材料的性能沿着特定方向必须进行调整，以满足性能要求，如与传输现象。在这篇文章中，我们提出了一个各向异性的微结构设计策略，利用光谱密度函数（SDF）的快速重建的高分辨率，两相，各向同性或各向异性的微结构在2D和3D。我们证明，SDF微观结构表示提供了一个直观的方法，通过一个无量纲标量变量称为各向异性指数量化各向异性。通过体异质结有机光伏电池（OPVCs）的活性层设计案例研究证明了我们的方法实现的计算效率和低维微结构表示。结果表明，优化设计，表现出强各向异性，优于各向同性有源层设计。
Materials’ microstructure is a critical aspect in design of functional materials as it links processing conditions to material performance. Previous efforts on microstructure mediated design mostly assume isotropy, which is not ideal for applications where material properties along specific directions must be tailored to meet performance requirements, such as those associated with transport phenomena. In this article, we propose an anisotropic microstructure design strategy that leverages Spectral Density Function (SDF) for rapid reconstruction of high resolution, two phase, isotropic or anisotropic microstructures in 2D and 3D. We demonstrate that SDF microstructure representation provides an intuitive method for quantifying anisotropy through a dimensionless scalar variable termed anisotropy index. The computational efficiency and low dimensional microstructure representation enabled by our method is demonstrated through an active layer design case study for Bulk Heterojunction Organic Photovoltaic Cells (OPVCs). Results indicate that optimized design, exhibiting strong anisotropy, outperforms isotropic active layer designs.