These rules are for solid phases in metals and alloys and can be applied to both substitutional and interstitial solutions. Therefore, ICMD can be considered to be representative of the broader effort in computational materials science for engineering applications.Ī landmark in the field of predictive alloy design is the Hume-Rothery rules, 15 which have had a significant impact on research in physical metallurgy and materials science. It should be noted that, although the cases elucidated in this work are for metals and alloys, the thermodynamics-based methods of the ICMD infrastructure and the associated design philosophy should be applicable to polymers, ceramics, and biomaterials as well. Finally, future research focuses for addressing remaining opportunities are recommended. The framework of ICMD is then illustrated by reviewing representative integration efforts made through collaboration between research communities and industry. The article starts with a history of alloy design. 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. 6– 11 One of the goals of this article is to review and clarify the different levels of this infrastructure. 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.

The AIM technology is considered to be a major component of ICME techniques.

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. 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 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. It should be especially noted that a 2004 report on accelerating technology transition released by the NRC 4 prioritized a materials fundamental database initiative in support of accelerated insertion of materials (AIM) technology.

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