Exploration of phase stability, functional and mechanical properties in refractory- and noble-metal-based multiple-principal element alloys

难熔金属和贵金属基多主元合金的相稳定性、功能和机械性能的探索

• 批准号: 403582885
• 负责人: Professor Dr. Ralf Drautz
• 金额: --
• 依托单位: Lehrstuhl Neue Materialien und Grenzflächen (MDI)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2018
• 资助国家: 德国
• 起止时间: 2017-12-31 至 2022-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/403582885?language=en
• 关键词: Exploration; phase; stability; functional; mechanical

The concept of multiple-principal element alloys (MPEAs) opens up an almost unlimited composition space for new materials, which cannot be explored efficiently by conventional methods. Therefore, this project combines physical metallurgy, data analysis, and high-throughput computational and experimental methods to identify the most promising candidates in refractory- and noble metal-based MPEAs out of a set of 20 elements. Our aim is to realize new MPEAs with exceptional functional (electrical, chemical) and mechanical properties, such as high strength and ductility combined with good electrical conductivity, that are applicable in harsh environment. To reach these goals, a materials design cycle will be employed that comprises data aggregation and analysis, modeling, alloy selection, combinatorial synthesis and high-throughput characterization of thin film MPEA materials libraries, and high-throughput density functional theory calculations. Chemical (composition), structural (phase, microstructure), electrical (resistivity) and mechanical properties (Young’s modulus, hardness) will be measured using high-throughput characterization systems. The most promising MPEAs will be fabricated as homogeneous films with higher thickness. These samples will be studied in greater detail, e.g. for high temperature mechanical properties. The results will be visualized in multi-dimensional functional phase diagrams and disseminated in a database.

多主元素合金（MPEAs）的概念为新材料开辟了几乎无限的成分空间，这是传统方法无法有效探索的。因此，该项目结合了物理冶金学，数据分析以及高通量计算和实验方法，以从一组20种元素中确定基于难熔金属和贵金属的MPEAs中最有前途的候选者。我们的目标是实现具有特殊功能（电气，化学）和机械性能的新型MPEAs，例如高强度和延展性以及良好的导电性，适用于恶劣环境。为了实现这些目标，将采用材料设计周期，包括数据聚合和分析，建模，合金选择，薄膜MPEA材料库的组合合成和高通量表征，以及高通量密度泛函理论计算。化学（成分），结构（相，微观结构），电气（电阻率）和机械性能（杨氏模量，硬度）将使用高通量表征系统进行测量。最有前途的MPEAs将被制造成具有更高厚度的均匀膜。将对这些样本进行更详细的研究，例如高温机械性能。结果将以多维功能相图的形式显示出来，并在数据库中传播。