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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
Integrated Computational Materials Engineering
A Transformational Discipline for Improved Competitiveness and National Security
Committee on Integrated Computational Materials Engineering
National Materials Advisory Board
Division of Engineering and Physical Sciences
NATIONAL RESEARCH COUNCIL OF THE NATIONAL ACADEMIES
THE NATIONAL ACADEMIES PRESS
Washington, D.C.
www.nap.edu
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
THE NATIONAL ACADEMIES PRESS
500 Fifth Street, N.W. Washington, DC 20001
NOTICE: The project that is the subject of this report was approved by the Governing Board of the National Research Council, whose members are drawn from the councils of the National Academy of Sciences, the National Academy of Engineering, and the Institute of Medicine. The members of the committee responsible for the report were chosen for their special competences and with regard for appropriate balance.
This study was supported by the Department of Defense under Contract No. MDA972-01-D-001 and the National Nuclear Security Administration and the Office of Energy Efficiency and Renewable Energy at the Department of Energy under Contract No. DE-AM01-04P145013. Any opinions, findings, conclusions, or recommendations expressed in this publication are those of the authors and do not necessarily reflect the views of the organizations or agencies that provided support for the project.
Cover: A cast aluminum engine block modeled with an ICME tool. Image courtesy of J.E. Allison, Ford Motor Company. Cover design by Steven Coleman.
International Standard Book Number 13: 978-0-309-11999-3
International Standard Book Number 10: 0-309-11999-5
Available in limited quantities from
National Materials Advisory Board
500 Fifth Street, N.W.
Washington, DC 20001
nmab@nas.edu
http://www.nationalacademies.edu/nmab
Additional copies of this report are available from the
National Academies Press,
500 Fifth Street, N.W., Lockbox 285, Washington, DC 20055; (800) 624-6242 or (202) 334-3313 (in the Washington metropolitan area); Internet, http://www.nap.edu.
Copyright 2008 by the National Academy of Sciences. All rights reserved.
Printed in the United States of America
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
THE NATIONAL ACADEMIES
Advisers to the Nation on Science, Engineering, and Medicine
The National Academy of Sciences is a private, nonprofit, self-perpetuating society of distinguished scholars engaged in scientific and engineering research, dedicated to the furtherance of science and technology and to their use for the general welfare. Upon the authority of the charter granted to it by the Congress in 1863, the Academy has a mandate that requires it to advise the federal government on scientific and technical matters. Dr. Ralph J. Cicerone is president of the National Academy of Sciences.
The National Academy of Engineering was established in 1964, under the charter of the National Academy of Sciences, as a parallel organization of outstanding engineers. It is autonomous in its administration and in the selection of its members, sharing with the National Academy of Sciences the responsibility for advising the federal government. The National Academy of Engineering also sponsors engineering programs aimed at meeting national needs, encourages education and research, and recognizes the superior achievements of engineers. Dr. Charles M. Vest is president of the National Academy of Engineering.
The Institute of Medicine was established in 1970 by the National Academy of Sciences to secure the services of eminent members of appropriate professions in the examination of policy matters pertaining to the health of the public. The Institute acts under the responsibility given to the National Academy of Sciences by its congressional charter to be an adviser to the federal government and, upon its own initiative, to identify issues of medical care, research, and education. Dr. Harvey V. Fineberg is president of the Institute of Medicine.
The National Research Council was organized by the National Academy of Sciences in 1916 to associate the broad community of science and technology with the Academy’s purposes of furthering knowledge and advising the federal government. Functioning in accordance with general policies determined by the Academy, the Council has become the principal operating agency of both the National Academy of Sciences and the National Academy of Engineering in providing services to the government, the public, and the scientific and engineering communities. The Council is administered jointly by both Academies and the Institute of Medicine. Dr. Ralph J. Cicerone and Dr. Charles M. Vest are chair and vice chair, respectively, of the National Research Council.
www.national-academies.org
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
COMMITTEE ON INTEGRATED COMPUTATIONAL MATERIALS ENGINEERING
TRESA M. POLLOCK,
University of Michigan,
Chair
JOHN E. ALLISON,
Ford Motor Company,
Vice Chair
DANIEL G. BACKMAN,
Worcester Polytechnic Institute
MARY C. BOYCE,
Massachusetts Institute of Technology
MARK GERSH,
Lockheed Martin Space Systems Company
ELIZABETH A. HOLM,
Sandia National Laboratories
RICHARD LESAR,
Iowa State University
MIKE LONG,
Microsoft
ADAM C. POWELL IV,
Opennovation
JOHN J. SCHIRRA,
Pratt & Whitney
DEBORAH DEMANIA WHITIS,
GE Aviation
CHRISTOPHER WOODWARD,
Air Force Research Laboratory
Staff
MICHAEL H. MOLONEY, Study Director
TERI THOROWGOOD, Administrative Coordinator
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
NATIONAL MATERIALS ADVISORY BOARD
KATHARINE G. FRASE,
IBM,
Chair
LYLE H. SCHWARTZ, Consultant,
Chevy Chase, Maryland,
Vice Chair
JOHN E. ALLISON,
Ford Motor Company
PAUL BECHER,
Oak Ridge National Laboratory
CHERYL R. BLANCHARD,
Zimmer, Inc.
EVERETT E. BLOOM,
Oak Ridge National Laboratory (retired)
BARBARA D. BOYAN,
Georgia Institute of Technology
L. CATHERINE BRINSON,
Northwestern University
JOHN W. CAHN,
University of Washington
DIANNE CHONG,
The Boeing Company
PAUL CITRON,
Medtronic, Inc. (retired)
FIONA M. DOYLE,
University of California, Berkeley
SOSSINA M. HAILE,
California Institute of Technology
CAROL A. HANDWERKER,
Purdue University
ELIZABETH HOLM,
Sandia National Laboratories
ANDREW T. HUNT,
nGimat Company
DAVID W. JOHNSON, JR.,
Stevens Institute of Technology
ROBERT H. LATIFF,
SAIC
TERRY LOWE,
Los Alamos National Laboratory
KENNETH H. SANDHAGE,
Georgia Institute of Technology
LINDA SCHADLER,
Rensselaer Polytechnic Institute
ROBERT E. SCHAFRIK,
GE Aviation
JAMES C. SEFERIS,
GloCal University
SHARON L. SMITH,
Lockheed Martin Corporation
Staff
GARY FISCHMAN, Director
MICHAEL H. MOLONEY, Senior Program Officer
EMILY ANN MEYER, Program Officer
ERIK SVEDBERG, Program Officer
TERI THOROWGOOD, Administrative Coordinator
HEATHER LOZOWSKI, Financial Associate
LAURA TOTH, Senior Program Assistant
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
Preface
Integrated computational materials engineering (ICME) is an emerging discipline that aims to integrate computational materials science tools into a holistic system that can accelerate materials development, transform the engineering design optimization process, and unify design and manufacturing. As this report shows, even in its nascent state, developing ICME represents a grand challenge. If ICME is successful, it will provide significant economic benefit and accelerate innovation in the engineering of materials and manufactured products. To that end, the committee that wrote this report was asked by its sponsors at the Departments of Energy and Defense to develop a strategy for the coordinated and accelerated development of this important new technology area. In particular, the committee was charged with the following tasks:
The exploration of the benefits and promise of ICME to materials research through a series of case studies of compelling materials research themes that are enabled by recent advances and accomplishments in the field of computational materials.
An assessment of the benefits of a comprehensive ICME capability to the national priorities.
The establishment of a strategy for the development and maintenance of an ICME infrastructure, including databases and model integration activities. This should include both near-term and long-range goals, likely participants, and responsible agents of change.
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
Making recommendations on how best to meet the identified opportunities.
In executing this charge the committee met four times between November 2006 and October 2007. At its meetings the committee heard from representatives of its sponsors, the Department of Defense and the Office of Energy Efficiency and Renewable Energy and the National Nuclear Security Administration at the Department of Energy. The committee also heard from a broad spectrum of speakers from government, industry, and academia. In particular the committee wants to thank the following people for their contributions to this study: Paul Avery, Brian Baker, Henry Bass, David Benson, Cate Brinson, Frank Brown, Joe Carpenter, Dureseti Chidambarrao, Rex Chisholm, Julie Christodoulou, Leo Christodoulou, Edward Damm, Dennis Dimiduk, Michael Doyle, Marty Fritts, Dave Furrer, Gerry Gibbs, Sharon Glotzer, Martin Green, Robert Hanrahan, Daryl Hess, David Hibbitt, Ursula Kattner, Charles Kuehmann, Dimitri Kusnezov, Kirk Levedahl, Brett Malone, David McDowell, Al Miller, Todd Osman, Ruth Pachter, Robert Pfahl, Krishna Rajan, Nuno Rebelo, Alex Szalay, Louis J. Terminello, Alex Van der Velden, Erich Wimmer, Michael Winter, Gerry Young, and Jonathan Zimmerman. The presentations of these experts helped the committee to build as complete a picture as possible of the current state of this emerging field. The committee’s discussions with the presenters and with members of the ICME community and the broader materials engineering community at a town hall meeting in connection with the 2007 annual meeting of The Minerals, Metals & Materials Society (TMS) were key to developing the committee’s vision for ICME. The committee is grateful to the leadership of TMS for its support of the town meeting.
My personal thanks also go to the members of the committee for their considerable time commitment and their efforts in writing this report. I am particularly grateful to the vice chair of the committee, John Allison, who provided exceptional leadership and vision and without whom neither the study nor the report would have happened. The committee is also grateful to Michael Moloney of the National Research Council staff, who guided it through the study process.
The committee hopes that this report will inspire the materials community, including the government agencies that support the field, to undertake the tasks it has identified as being important to the successful and timely development of ICME. The committee is convinced that ICME offers significant promise to stimulate new economic development in the United States, as well as to underpin national security and transform the materials profession.
Tresa M. Pollock, Chair
Committee on Integrated Computational Materials Engineering
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
Acknowledgment of Reviewers
This report has been reviewed in draft form by individuals chosen for their diverse perspectives and technical expertise, in accordance with procedures approved by the National Research Council’s Report Review Committee. The purpose of this independent review is to provide candid and critical comments that will assist the institution in making its published report as sound as possible and to ensure that the report meets institutional standards for objectivity, evidence, and responsiveness to the study charge. The review comments and draft manuscript remain confidential to protect the integrity of the deliberative process. We wish to thank the following individuals for their review of this report:
Paul Avery, University of Florida,
L. Catherine Brinson, Northwestern University,
Rex Chisholm, Northwestern University,
Anthony G. Evans, University of California, Santa Barbara,
Sharon C. Glotzer, University of Michigan,
George (Rusty) T. Gray III, Los Alamos National Laboratory,
Craig S. Hartley, El Arroyo Enterprises LLC,
David Hibbitt, Abaqus, Inc. (retired),
Paul Mason, Thermo-Calc Software, Inc.,
Roger C. Reed, The University of Birmingham,
David J. Srolovitz, Yeshiva University,
Patrice E.A. Turchi, Lawrence Livermore National Laboratory,
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
Mark Verbrugge, General Motors, and
James C. Williams, Ohio State University.
Although the reviewers listed above have provided many constructive comments and suggestions, they were not asked to endorse the conclusions or recommendations, nor did they see the final draft of the report before its release. The review of this report was overseen by Stephen Davis of Northwestern University. Appointed by the National Research Council, he was responsible for making certain that an independent examination of this report was carried out in accordance with institutional procedures and that all review comments were carefully considered. Responsibility for the final content of this report rests entirely with the authoring committee and the institution.
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
Contents
SUMMARY
1
1
A VISION FOR INTEGRATED COMPUTATIONAL MATERIALS ENGINEERING
8
Benefits to the Nation,
10
Critical Elements for ICME Development,
14
Cultural and Organizational Elements,
15
Technical Challenges,
19
Goals and Milestones,
23
Strategy for ICME Development: Recommendations,
26
Government Role,
26
Industry Role,
33
Role of Academia and Professional Societies,
34
Final Comment,
35
2
CASE STUDIES AND LESSONS LEARNED
36
Case Studies—Current Status and Benefits of ICME,
42
Integrating Materials, Component Design, and Manufacturing Processes in the Automotive Sector,
44
Integrating Materials, Component Design, and Manufacturing Processes in the Aerospace Sector,
49
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
Integrating Materials, Component Design, and Manufacturing Processes: Other Examples,
51
Integrated Materials Prognosis (Component Life Estimation),
53
Developing a Manufacturing Process,
55
Lessons Learned from Other Disciplines,
57
Genomics and Bioinformatics,
58
Open Science Grid and Sloan Digital Sky Survey,
62
Summary and Lessons Learned,
63
3
TECHNOLOGICAL BARRIERS: COMPUTATIONAL, EXPERIMENTAL, AND INTEGRATION NEEDS FOR ICME
67
Current Computational Materials Science Tools,
67
Methods,
69
Advances in Computing Capabilities,
75
Uncertainty Quantification,
77
Visualization,
78
Role of Experimentation in Computational Materials Science and ICME,
79
Experimental Calibration and Validation,
79
Three-Dimensional Microstructural Characterization,
80
Rapid, Targeted Experimentation,
82
Databases and ICME Development,
83
Current Status and Database Issues,
85
Requirements for ICME Databases,
88
Materials Informatics,
90
Integration Tools: The Technological “I” in ICME,
92
Commercial Integration Tools,
94
ICME Cyberinfrastructure,
97
Summary,
100
4
THE WAY FORWARD: OVERCOMING CULTURAL AND ORGANIZATIONAL CHALLENGES
102
Cultural Barriers to ICME in the Manufacturing Industry,
102
Inertia in the Engineering Design Community,
103
Inertia in the Industrial Materials Engineering Community,
105
Inertia in the Manufacturing Engineering Community,
106
Overcoming Inertia in the Manufacturing Industry,
106
Cultural Barriers to ICME in the MSE Community,
110
Need for Change in the Roles of MSE Professionals,
110
Education and Workforce Readiness,
112
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Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security
Role of Small Business in ICME Development,
116
Proposed Approach to ICME for the Government,
119
Department of Defense,
121
Department of Energy,
123
National Science Foundation,
124
National Institute of Standards and Technology,
125
Summary,
125
APPENDIXES
A COMMITTEE MEMBERSHIP
129
B ACRONYMS AND ABBREVIATIONS
135
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