Quantifying Microstructural Evolution via Time-Dependent Reduced-Dimension Metrics Based on Hierarchical n-Point Polytope Functions
Quantifying Microstructural Evolution via Time-Dependent Reduced-Dimension Metrics Based on Hierarchical n-Point Polytope Functions
复制标题
通过基于分层 n 点多面体函数的时变降维度量来量化微观结构演化
DOI：
10.1103/physreve.105.025306
复制
发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Jiao, Y
中科院分区：
文献类型：
--
作者：
Chen, P.;Raghavan, R;Zheng, Y;Li, H.;Ankit, K.;Jiao, Y
基于最近引入的一组层次点多面体函数，我们设计了一种降维度量方法，用于有效地测量微结构空间中两点(即微结构)之间的距离，并量化与微结构演化相关的路径。这些函数提供了在物质系统中找到与正多面体相关的特定点构型的概率，并且是标准点相关函数的一个特殊子集，它有效地将系统中的结构特征分解成具有不同对称性的正则多面体基元。有序度规被定义为与两个不同微结构的功能相关的周期。通过选择参考初始状态(即，与相关联的微结构)，这些测量量化了不同多面体对称性的演化，并且原则上可以捕获在初始状态中不明显的新出现的多面体对称性。为了展示它们的实用性，我们将这些计量学应用于一个经历调幅分解的二维二元系统，通过相应的时间标度行为来提取相分离动力学，这揭示了支配演化的机制。此外，我们还分析了不同表面接触角的分相合金薄膜在气相沉积过程中的花样演化，表现出丰富的演化动力学，包括不稳定花样和振荡花样。该计量学在建立定量的加工-结构-性能关系以及复杂非均质材料体系的实时加工控制和优化方面具有潜在的应用。
We devise reduced-dimension metrics for effectively measuring the distance between two points (i.e., microstructures) in the microstructure space and quantifying the pathway associated with microstructural evolution, based on a recently introduced set of hierarchical-point polytope functions. Thefunctions provide the probability of finding particular-point configurations associated with regularpolytopes in the material system, and are a special subset of the standard-point correlation functionsthat effectively decompose the structural features in the system into regular polyhedral basis with different symmetries. Theorder metricis defined as thenorm associated with thefunctions of two distinct microstructures. By choosing a reference initial state (i.e., a microstructure associated with), themetrics quantify the evolution of distinct polyhedral symmetries and can in principle capture emerging polyhedral symmetries that are not apparent in the initial state. To demonstrate their utility, we apply themetrics to a two-dimensional binary system undergoing spinodal decomposition to extract the phase separation dynamics via the temporal scaling behavior of the corresponding, which reveals mechanisms governing the evolution. Moreover, we employto analyze pattern evolution during vapor deposition of phase-separating alloy films with different surface contact angles, which exhibit rich evolution dynamics including both unstable and oscillating patterns. Themetrics have potential applications in establishing quantitative processing-structure-property relationships, as well as real-time processing control and optimization of complex heterogeneous material systems.