Multifunctional High Entropy Carbide and Boride (HECARBO) Ceramic Composites: Compositional Space, Novel Synthesis, and Property Tailoring

多功能高熵碳化物和硼化物 (HECARBO) 陶瓷复合材料：成分空间、新颖合成和性能定制

• 批准号: EP/Y020804/1
• 负责人: Shaowei Zhang
• 金额: $ 64.58万
• 依托单位: UNIVERSITY OF EXETER
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2024
• 资助国家: 英国
• 起止时间: 2024 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FY020804%2F1
• 关键词: Multifunctional; Entropy; Carbide; Boride; HECARBO; Multifunctional; Entropy; Carbide; Boride; HECARBO

High Entropy Ceramics (HECs) are a new class of materials consisting of more than five components stablised by their high configurational entropy. They are attracting a great deal of attention from the ceramics research community and industry. They were developed following some inspiration from the field of metallurgy, in which the useful compositional space for the exploration of new alloys was drastically increased upon the discovery of High Entropy Alloys (HEAs). In these materials some combination of multiple elements can produce single phase materials, rather than multiple phases by their increased configurational energy. Among HECs, high entropy transition metal carbides (HETMCs) and borides (HETMBs) are the subject of investigation because of their superior properties such as ultra-high melting point and hardness, excellent corrosion resistance, and relatively low density. The goal of this project is to develop novel synthesis methods, and understand and optimise the physical properties, of HECs. To do this we will focus on Group IV and V transition metal carbides and borides with respectively simple rock salt and hexagonal structures as model systems. These materials have the potential to lead to new materials with novel properties that could find commercial applications under the most extreme conditions.In the first part of the work, first principles calculations (DFT) will be used to assist in developing a deep fundamental scientific understanding of HECs, and this will then be used to guide the development of new HEC compositions with unique and industrially-applicable combinations of functional and mechanical properties.In the second part, a novel "microwave and molten salt co-assisted carbo-/borocarbo-thermal reduction" technique will be developed to make pure 1-D/2-D HETMC/HRTMB phase with a high aspect ratio, pure spherical HETMC/HETMB particles, or a mixture consisting of both forms of particles in various ratios (compositional design guided by the above DFT calculations/modelling). The process will use relatively inexpensive metal oxides, B2O3/B4C, and carbon precursors, processed at much lower temperatures (reduction by 300-600oC) and in shorter times (could be reduced to 20min) compared to using traditional processing routes.In the third part, in-situ formed powder mixtures or mixtures formed by combining the first two forms of presynthesised powders in appropriate ratios will be sintered using SPS or flash-SPS sintering to prepare self-reinforced HE carbides/borides composites that can be used under the most extreme engineering conditions, for example applications in, armour, aerospace, refractories, cutting tools, hypersonic vehicles, catalysis, and nuclear reactors. This work, if successful, would not only have significant academic significance, but also great industrial impact, benefiting a number of important communities/sectors.

高熵陶瓷（HEC）是一类新的材料，由五个以上组件组成，其高构型熵构成。他们引起了陶瓷研究社区和行业的广泛关注。它们是遵循冶金领域的一些灵感而开发的，在发现高熵合金（HEAS）时，有用的探索新合金的有用组合空间大大增加了。在这些材料中，多个元素的组合可以产生单相材料，而不是通过增加的构型能量来产生多个阶段。在HEC中，高熵过渡金属碳化物（HETMC）和硼化物（HETMBS）是研究的主题，因为它们具有出色的特性，例如超高熔点和硬度，优异的耐腐蚀性和相对较低的密度。该项目的目的是开发新颖的合成方法，并理解和优化HEC的物理特性。为此，我们将专注于IV和V过渡金属碳化物和硼化物，分别用简单的岩盐和六角形结构作为模型系统。这些材料有可能导致具有新型特性的新材料，可以在最极端的条件下找到商业应用。在工作的第一部分中，第一原理计算（DFT）将用于协助对HEC建立深刻的基本科学了解，然后将其用于指导新的HEC组成的新HEC成分，并具有独特的和工业的型号和机械型的型号和机械级别，以下是AN的机械组合。将开发共同辅助的碳水化合物 - 热还原”技术，可以制造具有高纵横比，纯球形HETMC/HETMB颗粒的纯1-D/2-D HETMC/HRTMB阶段，或在各种比例中由两种形式的粒子组成的混合物（由以上dft计算）。该过程将使用相对廉价的金属氧化物，B2O3/B4C和碳前体，在较低的温度下（降低300-600oC）处理，在短时间内（可以减少到20分钟）（可以减少到20分钟）与使用传统的处理路线相比，在第三部分中，在含有SITU形成的粉末混合物或混合物中，将两种形式的组合均配置为第三种形式，以组合两种形式，以组合两种形式，以组合两种形式的额定额定范围。使用SPS或Flash-SP烧结以准备自我增强的碳化物/硼化物复合材料，这些复合材料可以在最极端的工程条件下使用，例如在装甲，航空航天，冷冻，切割工具，高音车辆，催化剂，催化和核反应堆中的应用，装甲，航空航天，冰刀，切割工具，削减工具和核反应堆。如果成功的话，这项工作不仅具有重要的学术意义，而且将具有巨大的工业影响，从而使许多重要的社区/部门受益。