摘要
用于研发硬质合金的集成计算材料工程是将微观(10^(-10)10^(-8)m)、细观(10^(-8)10^(-4)m)、介观(10^(-4)10^(-2)m)和宏观(10^(-2)10 m)等多尺度计算模拟和关键实验集成到硬质合金设计开发的全过程中,通过成分-工艺-结构-性能的集成化分析,把硬质合金的研发由传统经验式提升到科学设计,从而大大加快硬质合金材料的研发速度,降低研发成本.本文详细阐述了第一性原理计算、CALPHAD方法、相场模拟和有限元模拟等计算模拟方法及各种微结构表征和性能测定的实验方法,论述了其在硬质合金研发中所发挥的具体作用.基于集成计算材料工程,提出了从用户需要、设计制备和工业生产的3个层面研发硬质合金的具体框架.通过应用实例,展示了集成计算材料工程在新型硬质合金研发中的强大功能,为新型硬质合金的设计和开发提供了新模式.
The ICME（ Integrated Computational Materials Engineering） for cemented carbides aims to combine key experiments with multi-scale numerical simulations from nano（ 10^（-10）10^（-8）m） to micro（ 10^（-8）10^（-4）m） to meso（ 10^（-4）-10^（-2）m） and to macro（ 10^（-2）10 m） during the whole RD（ research and development） process of cemented carbides. Using integrated analysis of the composition-processing-structure-properties, the methodology for developing cemented carbides is promoted from trial and error to scientific design,which will significantly speed up the RD of cemented carbides and reduce the costs. In this paper,multi-scale simulation approaches including Abinitio,CALPHAD（ CALculation of PHAse Diagram）,phase field,and finite element method together with experimental methods characterizing structure and properties are elaborated. The function of each method in the RD of cemented carbides is carefully discussed. Based on ICME,the framework for RD of cemented carbides,involving end-user demand,product design and industrial design,is established. Several application examples are presented to describe the important role of ICME during the development stage of cemented carbides,which provides an innovative pattern for RD of advanced cemented carbides.
出处
《材料科学与工艺》
EI
CAS
CSCD
北大核心
2016年第2期1-28,共28页
Materials Science and Technology
基金
国家自然科学基金资助项目(51371199)
工业信息化部项目(2015ZX04005008)
超细硬质合金项目(201403003)
关键词
硬质合金
集成计算材料工程
多尺度模拟
关键实验
应用
cemented carbides
ICME
multi-scale numerical simulations
key experiments
application
