Integrated Computational Materials Engineering A Transformational Discipline for Improved Competitiveness and National Security (2008) / Chapter Skim
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1 A Vision for Integrated Computational Materials Engineering
1 A Vision for Integrated Computational Materials Engineering
Pages 8-35
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armed with computationally based design, engineering analysis, and manufacturing tools are what give the nation its competitive advantage. A critical missing link in the integrated product development process is a set of predictive computational materials engineering tools.
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As an emerging discipline, ICME can be usefully defined as follows: Integrated computational materials engineering (ICME) is the integration of materials information, captured in computational tools, with engineering product performance analysis and manufacturing-process simulation.
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These multidisciplinary teams have dramatically shortened the product development cycle by using suites of computational design tools that unify formerly disparate technical areas such as heat transfer, aerodynam ics, fluid flow, mechanics, electromagnetics, and optics. The result has been that
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Over the years, the development of advanced materials and their incorporation in new products has enabled the United States to maintain a significant competitive advantage in the global economy. Therefore it is a matter of great concern that the materials discipline has not kept pace with the product design and development cycle and that insertion of new materials has become more infrequent.,, While the materials engineer is a member of the IPDT, materials selection and materials design now happen outside the computationally driven design optimization loop.
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While its implementation will be a substantial undertaking for both the materials community and the broader engineering community, ICME promises to provide significant economic benefit and will enhance the national security and competitiveness of the United States through accelerating innovation in the engineering of materials and manufactured products. As described later in this report, ICME case studies have shown early benefit.
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An important element of ICME successes so far has been the selection of an appropriate foundational engineering problem -- that is, a manufacturing process, a material system, and an application or set of applications that steer the development of the computational tools and the infrastructure. Examples of foundational problems that would, if pursued, further accelerate the development of ICME are discussed in Chapter 2.
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Critical Elements for ICME Development As discussed throughout this report, while ICME promises to strengthen materials and manufacturing involvement in the integrated product development process, the broad implementation of the ICME paradigm requires significant scientific, computational, and cultural elements to be in place. The widespread development and use of ICME will require a high level of technical maturity for the computational tools, education of science and engineering practitioners in ICME 14 P.
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The committee identified several critical elements as being necessary for wide spread ICME development and implementation. The technical challenges clearly require advances in models, infrastructure, and data.
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In this scenario, the materials engineer exercises computational resources that permit materials selection; prediction of property changes for new component geometries or processing paths for a fixed materials system; prediction of a spec trum of properties for evolutionary versions of a material; and guiding the design of completely new materials. Few materials engineers, however, receive sufficient background in computation or the basics of modeling and simulation in the course of their education to be effective ICME practitioners without additional training.
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The continued paucity of computational materials engineering tools that can contribute to the industrial design process at the same level as those other more mature computational engineering tools only increases skepticism about the feasibility of integrating materials tools into the IPDT process. This lack of maturity also leads to concerns about whether materials tools can be validated to the level of fidelity required by regulatory agencies.
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A report on accelerated technology transition recommended the establishment of a national, multiagency initiative in computational materials engineering to address three broad areas: methods and tools, databases, and dissemination and infrastruc ture.23 Similarly, a report on retooling manufacturing recommended that DOD should create, manage, and maintain open-source, accessible, peer-reviewed tools and databases for materials properties to be used in product and process design simulations.24 These recommendations do not yet appear to have been acted upon. One possible reason is the absence of a clear framework for accomplishing the goals.
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Technical Challenges The widespread adoption of ICME approaches will require the development of models and integration tools as well as major efforts in the calibration and valida tion of models for specific materials systems. Continued evolution and maturation of computational materials science tools will facilitate the introduction of ICME tools.
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Thus experimental efforts to calibrate both empirical and theoretical models and to validate the ICME capability are paramount. Integration Tools Developing an integration infrastructure that permits multidisciplinary analy sis, collaborative model development, and design optimization with materials as a key optimization parameter will be critical for the future growth of ICME.
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Conclusion 8: An ICME cyberinfrastructure will be the enabling framework for ICME. Some of the elements of that cyberinfrastructure are libraries of materials models, experimental data, software tools, including integration tools, and computational hardware.
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An important element of materials informatics will be establish ment of a widely agreed-on taxonomy for describing and classifying materials information. Conclusion 9: Creation of a widely accepted taxonomy, an informatics technology, and materials databases openly accessible to members of the materials research and development, design, and manufacturing communities is essential for ICME.
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To continue to provide the strategic advantage that materials engineering has traditionally provided to advanced engineering systems, the materials field must advance its computational capability to match the capabilities in other fields of engineering. This effort will require long-term vision and coordination as well as some short-term actions on the part of government, industry, academic institu tions, and materials professional societies.
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-- upport from materials professional societies and academic S institutions to ensure that ICME is recognized as an emerging discipline. -- ocumentation and publication of successes and failures so that D others may learn about opportunities and needs and help to build an ICME community.
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To make real progress in developing ICME tools and demonstrating their capabili ties requires a sizeable investment -- for example, $10 million to $40 million per program. In the face of the constrained budgets of typical government programs, these foundational engineering problems would have to be further refined and lim ited to specific material systems, manufacturing processes, and component families.
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play critical roles in developing and disseminating the supporting fundamental science databases, informatics, and cyberinfrastructures. The committee concludes that for the United States to develop a valuable and productive ICME infrastructure in a timely manner, each of these agencies must establish long-range ICME programs and coordination offices to support the development of ICME tools and infrastructures around specific high-priority materials systems and/or defense platforms.
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FIGURE 1-2 Overview of the strategy for ICME development that identifies stakeholders and short- and long-term goals. NSF, National Science Foundation; UMC, University Materials Council.
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should support a criti cal link within ICME by utilizing its unique facilities to advance rapid materials characterization and to connect new rapid characterization techniques with its strong university and national laboratory programs in computational materials science. • The Office of the Secretary of Energy should establish an intra-agency ICME coordination group to champion development of ICME across DOE in the research programs supported by BES, EERE, and NNSA as well as in the Office of Nuclear Energy, the Office of Fossil Energy, the Office of Fusion Energy Sciences, and the Office of Advanced Scientific Computing Research.
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automotive industry.33,34 The committee believes there is potential for a tremendous return on investment should EERE decide to play a larger role in ICME by championing efforts in other materials areas having an impact on energy production and energy efficiency. DOE's NNSA played a key role in developing the computational materials science tools that have been effectively used for predicting the long-term behavior of a narrow range of materials in nuclear weapons systems.
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Recommendation 2: In view of the benefits of ICME to national security, the Department of Defense should expand its leadership role as an early champion of ICME and establish a long-range coordinated ICME program that will accomplish the following: • Identify and pursue at least one key foundational engineering problem in each service to accelerate the development and application of ICME to critical defense platforms and • Develop an ICME infrastructure of precompetitive material process– structure–property tools and databases for defense-critical systems. In addition, DOD should establish an intra-agency ICME coordination group to champion development of ICME within the military and the defense industry.
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• Establish incentives and requirements for materials researchers to place their materials information in open-access infrastructures, together with procedures to ensure that the information and models can be used effectively. • Develop engineering talent for ICME by supporting innovative curricula and student internship programs.
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Recommendation 4: To promote U.S. innovation and industrial competitive ness, NIST should develop and curate precompetitive materials informatics databases and develop automated tools for updating, integrating, and access ing ICME resources.
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auto industry, Chrysler, Ford, and General Motors are developing an ICME infrastructure and knowledge base for magnesium materials and manufacturing processes for auto body applications. This 5-year international program is jointly sponsored by the U.S.
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, whose members are the chairs of MSE departments in the United States, is uniquely poised to advocate for the widespread cultural and curricular changes needed to give materials engineers the same computational skills as other engineers and to make ICME a reality. The materials professional societies can also play a key role in removing barriers and accelerating ICME, by organizing conferences and workshops on integrated computational tools in need of development.
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Final Comment The committee believes that the MSE discipline is at a critical crossroad and that computationally driven development and manufacturing of materials can be a core activity of materials professionals in the upcoming decades. For the field of materials to keep pace with other engineering disciplines, the development of an ICME infrastructure is essential.
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