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Alloys By Design - A Materials Modelling Approach

合金设计 - 材料建模方法

基本信息

批准号：
EP/D04619X/1
负责人：
Roger Reed
金额：
$ 64.51万
依托单位：
University of Birmingham
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2006
资助国家：
英国
起止时间：
2006 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FD04619X%2F1
关键词：
Alloys Design Materials Modelling Approach

项目摘要

With this proposal, we will use modern metallurgical modelling tools to demonstrate that state of the art modern metallurgical modellingtools complement the commonly-employed, empirical approach to alloy design is out-dated and no longer necessary. Traditionally, alloys required for metallurgical applications (e.g. within the transportation, power generation and construction industries) have been designed using rules-of-thumb, with emphasis placed on trial-and-error procedures and assessment by experiment. Application of computer-based methods will reduce the time (a new alloy can take up to ten years to design and qualify) and expense (a large number of trial alloys are fabricated and tested) which are associated with the alloy design process. We will design a new alloy - using computational methods - which is suitable for use in one of the most demanding applications: the turbine blading needed for the hottest parts of the gas turbine engine used for powering civil aircraft. The design concept for the new alloy requires it to have three key characteristics: (i) it should be thermodynamically stable during extended periods of service at high temperatures (ii) it should be resistant to degradation reactions which occur by interdiffusion with protective coatings used to protect it during operation and (iii) it must be capable of being fabricated by casting and thus resistant to the formation of melt-related defects during component fabrication. The numerical modelling work will be carried out at various scales. First, atomistic methods will be used to identify the combination of alloying additions which promote the formation of electron phases such as mu and sigma which impair key properties such as creep and fatigue. Second, microstructural modelling will be used to simulate the kinetic evolution of phase assemblies and dislocation degradation reactions which occur in these systems using techniques such as the phase field method. Third, modelling on the continuum scale will be used to assess how a component fabricated from the new alloy will perform, e.g. whether it would be prone to the formation of casting defects if it were to be cast in the foundry. The modelling tools which we will develop for this project will have considerable generality in the field of metallurgy and materials science and consequently, once this project is finished we will be in a position to use them for designing other metallurgical systems.

有了这个建议，我们将使用现代冶金建模工具来证明，最先进的现代冶金建模工具补充了常用的经验方法，合金设计是过时的，不再必要。传统上，冶金应用（例如运输、发电和建筑行业）所需的合金是使用经验法则设计的，重点放在试错程序和实验评估上。基于计算机的方法的应用将减少与合金设计过程相关的时间（新合金可能需要长达十年的时间来设计和鉴定）和费用（制造和测试大量的试验合金）。我们将设计一种新的合金-使用计算方法-这是适用于最苛刻的应用之一：涡轮机叶片所需的燃气涡轮机发动机用于动力民用飞机的最热的部分。新合金的设计理念要求它具有三个关键特性：（i）在高温下长时间使用时，应能保持热稳定;（ii）在操作期间，应能抵抗因与保护涂层相互扩散而发生的降解反应，而保护涂层是用来保护它的;及（iii）它必须能以铸造方式制造，因而能抵抗熔化物的形成-组件制造过程中的相关缺陷。数值模拟工作将在各种尺度上进行。首先，原子方法将被用来确定合金添加剂的组合，促进电子相的形成，如μ和σ，损害关键性能，如蠕变和疲劳。其次，微观结构建模将被用来模拟动力学演化的相组装和位错降解反应发生在这些系统中使用的技术，如相场法。第三，将使用连续体规模的建模来评估由新合金制造的部件将如何表现，例如，如果在铸造厂铸造，它是否容易形成铸造缺陷。我们将为该项目开发的建模工具在冶金和材料科学领域具有相当大的通用性，因此，一旦该项目完成，我们将能够将其用于设计其他冶金系统。