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研发硬质合金的集成计算材料工程
引用本文:张伟彬,杜勇,彭英彪,李娜,周鹏,程开明,张聪,张忠健,王社权,徐涛,陈伟民,陈利,谢文,温光华,龙坚战,张颢,刘向忠,金展鹏. 研发硬质合金的集成计算材料工程[J]. 材料科学与工艺, 2016, 24(2): 1-28. DOI: 10.11951/j.issn.1005-0299.20160201
作者姓名:张伟彬  杜勇  彭英彪  李娜  周鹏  程开明  张聪  张忠健  王社权  徐涛  陈伟民  陈利  谢文  温光华  龙坚战  张颢  刘向忠  金展鹏
作者单位:1. 粉末冶金国家重点实验室(中南大学),长沙,410083;2. 粉末冶金国家重点实验室(中南大学),长沙410083;湖南工业大学冶金工程学院,湖南株洲412007;3. 硬质合金国家重点实验室(硬质合金集团有限公司),湖南株洲,412007;4. 株洲钻石切削刀具股份有限公司,湖南株洲,412007
基金项目: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).
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.

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
收稿时间:2016-01-12

Integrated Computational Materials Engineering (ICME) for developing the cemented carbides
ZHANG Weibin,DU Yong,PENG Yingbiao,LI N,ZHOU Peng,CHENG Kaiming,ZHANG Cong,ZHANG Zhongjian,WANG Shequan,XU Tao,CHEN Weimin,CHEN Li,XIE Wen,WEN Guanghu,LONG Jianzhan,ZHANG Hao,LIU Xiangzhong and JIN Zhanpeng. Integrated Computational Materials Engineering (ICME) for developing the cemented carbides[J]. Materials Science and Technology, 2016, 24(2): 1-28. DOI: 10.11951/j.issn.1005-0299.20160201
Authors:ZHANG Weibin  DU Yong  PENG Yingbiao  LI N  ZHOU Peng  CHENG Kaiming  ZHANG Cong  ZHANG Zhongjian  WANG Shequan  XU Tao  CHEN Weimin  CHEN Li  XIE Wen  WEN Guanghu  LONG Jianzhan  ZHANG Hao  LIU Xiangzhong  JIN Zhanpeng
Affiliation:State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China,State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China,State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China ;School of Metallurgical Engineering, Hunan University of Technology, Zhuzhou 412007, China,State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China,State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China,State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China,State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China,State Key Laboratory of Cemented Carbides, Zhuzhou 412007, China,Zhuzhou Cemented Carbide Cutting Tools Limited Company, Zhuzhou 412007, China,State Key Laboratory of Cemented Carbides, Zhuzhou 412007, China,State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China,State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China,Zhuzhou Cemented Carbide Cutting Tools Limited Company, Zhuzhou 412007, China,Zhuzhou Cemented Carbide Cutting Tools Limited Company, Zhuzhou 412007, China,State Key Laboratory of Cemented Carbides, Zhuzhou 412007, China,State Key Laboratory of Cemented Carbides, Zhuzhou 412007, China,State Key Laboratory of Cemented Carbides, Zhuzhou 412007, China and State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China
Abstract: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 R&D (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 R&D of cemented carbides and reduce the costs. In this paper, multi-scale simulation approaches including Ab-initio, 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 R&D of cemented carbides is carefully discussed. Based on ICME, the framework for R&D 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 R&D of advanced cemented carbides.
Keywords:cemented carbides   ICME   multi-scale numerical simulations   key experiments   application
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