【摘要】 随着计算机技术与热力学动力学数据库的发展,把材料计算模拟和关键实验结合在一起,集成、优化、应用到硬质合金产品设计开发的全过程,通过成分–工艺–结构–性能的关联分析,能够把硬质合金及耐磨涂层的研发由传统经验或者半经验方式提升到科学的顶层/底层设计,加快研发速度,降低研发成本。本文阐述了第一性原理计算、CALPHAD方法(相图计算方法)、相场模拟和有限元模拟等计算模拟方法,论述了它们在硬质合金及耐磨涂层研发中所发挥的具体作用,从用户需要、设计制备和工业生产3个层面探讨并建立了基于集成计算材料工程进行产品开发的框架。更多还原

【Abstract】 Incorperating ICME(Integrated Computational Materials Engineering) and key experiments to the entire R&D(research and development) process of cemented carbides and hard coatings, using integrated analysis of the composition-processing-structure-properties, the methodology for developing cemented carbides and hard coatings is promoted from trial and error to scientific top down or bottom up design along with the development of computational technology and thermodynamic and kinetic databases, which will significantly speed up the R&D of materials and reduce the costs. In this paper, Ab-initio, CALPHAD(CALculation of PHAse Diagram), phase field, and finite element method are elaborated. The function of each method in the R&D of cemented carbides and hard coatings is carefully discussed. A framework of product development based on ICME is discussed and established according to user needs, design preparation and industrial production.更多还原