Integrated computational materials design for high-performance alloys
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Introduction In the past 25 years, many different programs have been launched to promote research in materials design, and several reports have been published regarding related activities in relevant research communities. An early report by the US National Research Council (NRC) in 19891 placed great emphasis on the role of the universal relationship among processing, structure, properties, and performance (see Figure 12) for modern materials engineering and its impact on industrial applications. A 1999 NRC report3 presented a strong industry perspective with an emphasis on the materials needs of clients. Such an emphasis required innovations based on design in materials and mechanical engineering. The report highlighted the importance of performance during both manufacturing and service, as well as its connection to user needs and constraints, and explored the importance of potential approaches to the acceleration of the materials development cycle. It should be especially noted that a 2004 report on accelerating technology transition released by the NRC4 prioritized a materials fundamental database initiative in support of accelerated insertion of materials (AIM) technology. This report stated, “While the academic value system of the physical sciences has generally suppressed the creation of engineering databases, the life sciences have forged ahead with the Human Genome project representing the greatest engineering database in history. A parallel fundamental database initiative
in support of computational materials engineering could build a physical science/engineering link as effective as the productive life science/medicine model.” The report recommended that “The Office of Science and Technology Policy should lead a national, multiagency initiative in computational materials engineering to address three broad areas: methods and tools, databases, and dissemination and infrastructure.”4 In 2011, materials scientists were privileged to witness the unveiling of the Materials Genome Initiative (MGI) proposed by the US Office of Science and Technology Policy, further leveraging resources and capabilities of integrated computational materials engineering (ICME),5 which is a landmark for advancing computational materials modeling in practical engineering applications. The AIM technology is considered to be a major component of ICME techniques.5 As a result of the MGI, a complete integrated computational materials design (ICMD) hierarchical infrastructure for advanced materials development based on ICME and the materials genome is under construction as a global enterprise.6–11 One of the goals of this article is to review and clarify the different levels of this infrastructure. Through a review of historical milestones and a discussion of promising research directions, this article takes a close look at state-of-the-art ICMD driven by engineering applications. The article starts with a history of alloy design. The framework of ICMD is then illustrated by reviewing representative
Wei Xiong, Department of Materials Scie
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