DMREF: Collaborative Research: Accelerated Development of Damage Tolerant and Oxidation Resistant Alumina-Forming MAX Phases

DMREF：合作研究：加速开发耐损伤和抗氧化的氧化铝形成 MAX 相

基本信息

批准号：
1729350
负责人：
Miladin Radovic
金额：
$ 98.7万
依托单位：
Texas A&M Engineering Experiment Station
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-09-01 至 2022-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1729350&HistoricalAwards=false
关键词：
DMREF Collaborative Research Accelerated Development

项目摘要

Materials capable of withstanding harsh environments have the potential to enable a wide range of important technologies. A family of ceramic carbide and nitride materials referred to as MAX phases possess unusual and often unique sets of properties that combine some of the best attributes of ceramics and metals. These are light, stiff, stable and able to resist high temperatures like typical ceramics, but also damage tolerant, ductile at high temperatures and as readily machinable as metals. In addition, some of the MAX phases form protective layers when heated in air, that are extremely resistant to thermal shock, thermal cycling and chemical attack. This Designing Materials to Revolutionize and Engineer our Future (DMREF) award supports fundamental research to understand the process by which these protective layers in MAX phases are formed. This research will incorporate computational simulations and experimental synthesis and characterization to build the knowledge base for the accelerated development and design of MAX phase materials with outstanding mechanical properties for high temperature applications. Results of this project will foster application of MAX phases in power generation, energy conversion, transportation, aerospace and defense technologies. This project also provides specialized multidisciplinary training for graduate and undergraduate students on integrating materials informatics, modeling, atomistic computations and experiments in materials design.Despite two decades of experimental studies on MAX phases, designing their optimal composition and microstructure has remained a challenge mainly because of the large number of possible compositions and microstructures, and a lack of robust physical models that relate their composition and microstructure to properties. The overall goal of this research program is to overcome those challenges and foster design of MAX phases for high temperature applications by: (1) developing physics-based predictors for the formation of protective alumina layers; (2) developing micromechanical models and identifying compositional/structural parameters that control intrinsic thermomechanical properties; (3) designing Bayesian calibration protocols for parameter identification; (4) implementing and deploying Efficient Global Optimization protocols for the efficient discovery of MAX phases with optimal thermomechanical properties and; (5) validating the proposed framework through material synthesis, characterization and thermomechanical testing. This will provide guiding fundamental knowledge and protocols to design optimal compositions and microstructures of the MAX phases for high temperature application.

能够承受恶劣环境的材料有可能实现广泛的重要技术。一个称为最大相的陶瓷碳化物和氮化物材料家族具有不寻常的，通常是独特的特性集，可将陶瓷和金属的一些最佳属性结合在一起。这些是轻巧，僵硬，稳定的，能够抵抗典型的陶瓷等高温，但在高温下也可以耐受耐受性，并且可以像金属一样容易加工。此外，在空气中加热时，一些最大相对于热休克，热循环和化学攻击具有极大的抵抗力。这种设计材料彻底改变和设计我们的未来（DMREF）奖支持基础研究，以了解形成最大阶段这些保护层的过程。这项研究将结合计算模拟以及实验合成和表征，以建立具有高温应用具有出色机械性能的最大相位材料的加速开发和设计的知识库。该项目的结果将促进最大阶段在发电，能源转换，运输，航空航天和国防技术中的应用。该项目还为研究生和本科生提供专门的多学科培训，以整合材料信息学，建模，原子计算和材料设计中的实验。尽管在最大阶段进行了二十年的实验研究，但设计其最佳组成和微观结构的挑战主要是因为大量可能的组成和微观结构，以及缺乏将其组成和微观结构与属性相关的稳健物理模型。该研究计划的总体目标是克服这些挑战，并通过以下方式克服高温应用的最大阶段的设计，并通过：（1）开发基于物理的预测因子，以形成保护性氧化铝层；（2）开发微电模型并识别控制固有的热机械特性的组成/结构参数；（3）设计贝叶斯校准方案以识别参数；（4）实施和部署有效的全局优化协议，以有效地发现具有最佳热机械特性的最大相位；（5）通过材料合成，表征和热机械测试来验证所提出的框架。这将提供指导性的知识和协议，以设计最大阶段的最佳组成和微观结构，以进行高温应用。

项目成果

期刊论文数量（20）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Autonomous efficient experiment design for materials discovery with Bayesian model averaging

DOI：
10.1103/physrevmaterials.2.113803
发表时间：
2018-03
期刊：
Physical Review Materials
影响因子：
3.4
作者：
A. Talapatra;Shahin Boluki;T. Duong;Xiaoning Qian;E. Dougherty;Raymundo Arr'oyave
通讯作者：
A. Talapatra;Shahin Boluki;T. Duong;Xiaoning Qian;E. Dougherty;Raymundo Arr'oyave

Synthesis and characterization of the atomic laminate Mn2AlB2