2019年9月6日
A new technique to discover materials using electron microscopy and data analytics has exposed a new group of very hard alloys. Such materials could possibly endure extreme impact from projectiles, thus providing improved protection for combat soldiers. Scientists from雷伊大学描述文章中的技术和结果，"Materials Informatics for the Screening of Multi-Principal Elements and High-Entropy Alloys,"已发表于最近在Nature Communications.
An X-ray energy-dispersive spectroscopy (EDS) map of the as-cast microstructure of a hard alloy predicted from Lehigh University researchers' analysis. Lettered panels are X-ray intensity maps associated with different elements comprising the alloy that permit deduction of the spatial distributions of these elements. (Image credit: Lehigh University)
"We used materials informatics — the application of the methods of data science to materials problems - to predict a class of materials that have superior mechanical properties,"主作家Jeffrey M. Rickman，材料科学与工程教授和Lehigh大学的61教授。亚博网站下载亚博老虎机网登录
Scientists also used experimental instruments, such as electron microscopy, to get an understanding of the physical mechanisms that resulted in the observed behavior in the class of materials called high-entropy alloys (HEAs). HEAs contain a number of various elements that, when blended, may give rise to systems having advantageous and sometimes unanticipated mechanical and thermal properties. For that reason, they are presently the topic of passionate research.
“我们认为我们开发的技术在识别有前途的杰斯方面是有用的，”里克曼说。"However, we found alloys that had hardness values that exceeded our initial expectations. Their hardness values are about a factor of 2 better than other, more typical high-entropy alloys and other relatively hard binary alloys."
参与该研究的七位作者是Lehigh大学的一部分，包括Rickman;Helen M. Chan，新泽西州锌材料科学与工程教授;亚博网站下载亚博老虎机网登录Martin P. Harmer，Alcoa材料科学与工程基金会教授;亚博网站下载亚博老虎机网登录Joshua Smeltzer，材料科学与工程研究生;亚博网站下载亚博老虎机网登录克里斯托弗·奇迹，博士后研究材料科学与工程助理;亚博网站下载亚博老虎机网登录Ankit Roy，机械工程和力学研究生;和Ganesh Balasubramanian，机械工程和力学助理教授。
高熵合金和数据分析的兴起
高熵或多主元素的领域，合金最近见证了快速增长。与传统合金相比，这些系统表示合金开发的范式变化，以及一些显示器新结构和更好的机械性能，以及改善的磁性和抗氧化性。然而，鉴于潜在元素的巨大调色板和可能存在的组合，鉴定未来的仇恨呈现出艰难的挑战。
科学家们已经找到了一种方法来识别产生高硬度，高强度合金和其他必要品质的元素组合和组合物，这是可以开发的大量潜在HSA的相对小的次集。
最近，材料信息学亚博网站下载，数据科学在材料科学与工程问题中的应用，作为一种鲁棒工具，用于发现和设计材料。亚博老虎机网登录相对较新的领域已经对一系列材料系统的数据分析具有重要影响，包括用于热电，储氢材料，电池阳极和阴极，铁电和聚合物电介质的那些。亚博网站下载
"Creation of large data sets in materials science, in particular, is transforming the way research is done in the field by providing opportunities to identify complex relationships and to extract information that will enable new discoveries and catalyze materials design,"里克曼说。The instruments of data science, including multivariate statistics, dimensional reduction, machine learning, and data visualization, have already resulted in the identification of structure-property-processing relationships, screening of potential alloys, and correlation of microstructure with processing factors.
Lehigh大学的研究通过表明这一工具的收集对于来自无数可能性中的有利材料非常有用，这是对材料亚博网站下载信息学的研究。“这些工具可以在各种上下文中使用，以缩小大型实验参数空间，以加速搜索新材料，”亚博网站下载里克曼说。
公司新方法mbines Complementary Tools
Lehigh大学科学家综合了两个互补工具，以应用一个受控的学习策略，以便有效筛选高熵合金，并检测有前途的HEAS：（1）规范相关分析和（2）具有规范相关分析的遗传算法 -灵感的健身功能。
他们使用数据库执行此过程，该数据库可获得机械性能数据并展示具有高硬度水平的新合金。通过将预测的硬度与使用电弧熔化的合金进行比较来检查方法，检测具有非常高的硬度的合金。
The methods employed here involved a novel combination of existing methods adapted to the high-entropy alloy problem. In addition, these methods may be generalized to discover, for example, alloys having other desirable properties. We believe that our approach, which relies on data science and experimental characterization, has the potential to change the way researchers discover such systems going forward.
杰弗里M. Rickman，材料科学与工程教授，Lehigh大学亚博网站下载亚博老虎机网登录