AFLOW4：迈向无序
AFLOW4: heading toward disorder
AI总结：
AFLOW4 通过新增 Soliquidy 模块、介电函数计算和可读数据导出等功能，并加速高熵材料相关算法，提升了高熵无序材料研究能力。
摘要：
AFLOW4 是 AFLOW 工具包的最新版本，专门针对高熵无序材料研究进行了定制。此次升级包含多项创新功能，例如基于无序与有序材料状态之间欧几里得输运成本的 Soliquidy 模块。AFLOW4 能够计算介电函数，以理解无序陶瓷的光学和电子性质。新引入的人类可读数据导出功能确保 AFLOW4 能够简便地集成到各种自动化工作流程中。与高熵研究相关的功能，如原型识别、部分占据方法、凸包计算以及基于局域原子环境的焓修正，均已得到改进并实现了显著加速。综合来看，这些增强使 AFLOW 作为高熵材料研究的重要工具向前迈进了一步。
英文摘要：
AFLOW4 is the latest iteration of the AFLOW toolkit, specifically tailored to study high-entropy disordered materials. This upgrade includes innovative features like the Soliquidy module, based on the Euclidean transport cost between disordered and ordered material states. AFLOW4 can calculate dielectric functions to understand optical and electronic properties of disordered ceramics. The newly introduced human-readable data export feature ensures the uncomplicated incorporation of AFLOW4 in diverse automated workflows. Features relevant to high-entropy research, like prototype identification, partial occupation method, convex hull calculation, and enthalpy corrections based on local atomic environments, have been improved and exhibit substantial speed-up. Together, these enhancements represent a step forward for AFLOW as a valuable tool for research of high-entropy materials.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
