Single Crystal Growth by Solid State Reaction Synthesis: Informatics Driven Microstructural Analysis and Design

固态反应合成单晶生长：信息学驱动的微观结构分析与设计

• 批准号: 1929263
• 负责人: Helen Chan
• 金额: $ 63.69万
• 依托单位: Lehigh University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-08-01 至 2024-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1929263&HistoricalAwards=false
• 关键词: Single; Crystal; Growth; Solid; State

NON-TECHNICAL DESCRIPTION: This research explores the synthesis, structure, and properties of a new class of ceramics, i.e. compounds composed of metallic and non-metallic elements. Ceramic single crystal materials, where the atomic arrangement is the same throughout the bulk sample, are desirable because of their unique properties. Unfortunately, they are usually difficult to fabricate, requiring specialized equipment and very high temperatures. This project explores a novel solid-state method for growing a single crystal ceramic, starting from a mixture of two different ceramic compositions. The potential exists for the discovery of ceramic crystals with new and interesting properties for next generation structural and electronic applications. Furthermore, the reverse process, i.e., changing from a single material to two distinct materials can be exploited to create composite materials that are microscopic mixtures of either different ceramics, or a metal and a ceramic. The scale and interconnectivity of these mixtures can be tailored to modify the overall physical properties. Students are undergoing training in advanced techniques encompassing both experimental and computational materials science. They will typically find employment in high tech industries or government/industrial laboratories. Associated outreach activities are directed towards encouraging K-12 students to pursue careers in science and engineering, with a particular emphasis on underrepresented groups. These efforts include the creation of bilingual educational modules, as well as participation in programs such as: 1) Materials Camps for high school students and teachers, 2) CHOICES (Charting Horizons and Opportunities In Careers in Engineering and Science), which is aimed at middle school girls, and 3) STAR (Students That Are Ready), which targets economically and academically disadvantaged and/or at-risk 8th to 12th grade students. TECHNICAL DETAILS: Entropy-stabilized oxides are complex ceramics that are stable only above a certain critical temperature. To date, this material class has received little prior attention from the research community. Recently a new type of transformation was observed whereby bulk single crystal growth was induced by solid state synthesis, starting with a two-phase, polycrystalline precursor. Conversely, the eutectoid-like transformation of these materials when annealed below the critical temperature yields novel two-phase morphologies. The project combines experiment and an informatics-based modelling approach to seek a fundamental understanding of the transformation mechanisms. In particular, the research aims to identify the materials' parameters that together with the initial microstructure, define the morphological and textural evolution of the resultant structure. Graduate students and undergraduates are being trained in state-of-the art high temperature materials synthesis and characterization techniques, as well as modelling of nucleation and growth processes.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

非技术描述：本研究探讨了新型陶瓷（即由金属和非金属元素组成的化合物）的合成、结构和性能。陶瓷单晶材料由于其独特的性能而受到人们的欢迎，其中整个样品的原子排列都是相同的。不幸的是，它们通常很难制造，需要专门的设备和非常高的温度。该项目探索了一种从两种不同陶瓷成分的混合物开始生长单晶陶瓷的新型固态方法。存在为下一代结构和电子应用发现具有新的和有趣的特性的陶瓷晶体​​的潜力。 此外，可以利用相反的过程，即从单一材料变为两种不同的材料来制造复合材料，该复合材料是不同陶瓷或金属和陶瓷的微观混合物。这些混合物的规模和互连性可以定制，以改变整体物理特性。学生正在接受包括实验和计算材料科学在内的先进技术的培训。他们通常会在高科技行业或政府/工业实验室找到工作。相关的外展活动旨在鼓励 K-12 学生从事科学和工程领域的职业，特别关注代表性不足的群体。这些努力包括创建双语教育模块，以及参与以下项目：1) 面向高中生和教师的材料营，2) CHOICES（绘制工程和科学职业的视野和机会），旨在3) STAR（准备好的学生），针对经济和学业上处于不利地位和/或有风险的 8 至 12 年级学生。 技术细节：熵稳定氧化物是复杂的陶瓷，仅在特定临界温度以上才稳定。迄今为止，这一类材料尚未受到研究界的事先关注。最近观察到一种新型转变，即从两相多晶前体开始，通过固态合成诱导块状单晶生长。相反，当在临界温度以下退火时，这些材料的类共析转变会产生新的两相形态。该项目结合了实验和基于信息学的建模方法，以寻求对转化机制的基本理解。特别是，该研究旨在确定材料的参数，这些参数与初始微观结构一起定义最终结构的形态和纹理演变。研究生和本科生正在接受最先进的高温材料合成和表征技术以及成核和生长过程建模的培训。该奖项反映了 NSF 的法定使命，并通过使用基金会的评估进行评估，认为值得支持。智力价值和更广泛的影响审查标准。

项目成果

Kinetics and associated microstructure for reactive phase formation

反应相形成的动力学和相关微观结构

• DOI: 10.1016/j.actamat.2021.117456
• 发表时间: 2022
• 期刊: Acta Materialia
• 影响因子: 9.4
• 作者: McNamara, C.;Rickman, J.M.;Chan, H.M.
• 通讯作者: Chan, H.M.