研发铝合金的集成计算材料工程

用于铝合金的集成计算材料工程是将微观(10-10~10-8m)、细观(10-8~10-4m)、介观(10-4~10-2m)和宏观(10-2~10 m)等多尺度计算模拟和关键实验集成到铝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,把铝合金的研发由传统经验式提升到以组织演化及其与性能相关性为基础的科学设计上,从而大大加快其研发速度,降低研发成本。本文详细阐述了原子尺度模拟、相图计算、相场、元胞自动机和有限元等计算模拟方法及微结构表征和性能测定的实验方法,论述了其在铝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3个层面研发铝合金的具体框架。通过2个应用实例,展示了集成计算材料工程在铝合金研发中的强大功能,这也为新型铝合金及其它新材料的设计和开发提供了新模式。

Integrated Computational Materials Engineering (ICME) for Developing Aluminum Alloys

The ICME ( Integrated Computational Materials Engineering) for aluminum alloys was applied 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 aluminum alloys. Using integrated analysis of the compo-sition-processing-structure-properties, the methodology for developing aluminum alloys was promoted from trial and error to scientific design, SO the R & D of aluminum alloys was significantly speed up and the cost was reduced. 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 aluminum al-loys is carefully discussed. Based on ICME, the framework for R&D of aluminum alloys, involving end-user demand, product design and industrial design, is established. Two application examples are presented to describe the important role of ICME during the devel-opment stage of aluminum alloys, which provides an innovative pattern for R & D of advanced aluminum alloys.