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     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     CHALLENGES FOR THE CHEMICAL SCIENCES IN THE 21ST CENTURY

     MA TERIALS SCIENCE AND TECHNOLOGY

     ORGANIZING COMMITTEE FOR THE WORKSHOP ON MATERIALS AND MANUFACTURING COMMITTEE ON CHALLENGES FOR THE CHEMICAL SCIENCES IN THE 21ST CENTURY BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY DIVISION ON EARTH AND LIFE STUDIES

     THE NATIONAL ACADEMIES PRESS Washington, D.C. www.nap.edu

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     THE NATIONAL ACADEMIES PRESS 500 Fifth Street, N.W. Washington, D.C. 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. Support for this study was provided by the National Research Council, the U.S. Department of Energy (DE-AT-01-EE41424, BES

    DE-FG-02-00ER15040, and DE-AT01-03ER15386), the National Science Foundation (CTS-9908440), the Defense Advanced Research Projects Agency (DOD MDA972-01-M-0001), the U.S. Environmental Protection Agency (R82823301), the American Chemical Society, the American Institute of Chemical Engineers, the Camille and Henry Dreyfus Foundation, Inc. (SG00-093), the National Institute of Standards and Technology (NA1341-01-21070 and 43NANB010995), the National Institutes of Health (NCI-N01-OD-4-2139 and NIGMSN01-OD-4-2139), and the chemical industry. Any opinions, findings, conclusions, or recommendations expressed in this publication are those of the authors and do not necessarily reflect the views of the organization or agencies that provide support for the project. International Standard Book Number 0-309-08512-8 (Book) International Standard Book Number 0-309-050691-3 (PDF) 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 202-334-3313 (in the Washington Metropolitan Area) http://www.nap.edu Copyright 2003 by the National Academy of Sciences. All rights reserved. Printed in the United States of America

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     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. Bruce M. Alberts 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. Wm. A. Wulf 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. Bruce M. Alberts and Dr. Wm. A. Wulf are chair and vice chair, respectively, of the National Research Council.

     www.national-academies.org

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     ORGANIZING COMMITTEE FOR THE WORKSHOP ON MATERIALS AND MANUFACTURING KLAVS F. JENSEN, Massachusetts Institute of Technology,

    Co-chair CHARLES KRESGE, Dow Chemical Company, Co-chair TOBIN J. MARKS, Northwestern University JULIA M. PHILLIPS, Sandia National Laboratories ELSA REICHMANIS, Lucent Technologies DAVID A. TIRRELL, California Institute of Technology Staff JENNIFER J. JACKIW, Program Officer CHRISTOPHER K. MURPHY, Program Officer SYBIL A. PAIGE, Administrative Associate DOUGLAS J. RABER, Senior Scholar DAVID C. RASMUSSEN, Program Assistant ERIC L. SHIPP, Postdoctoral Associate DOROTHY ZOLANDZ, Director

     iv

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     COMMITTEE ON CHALLENGES FOR THE CHEMICAL SCIENCES IN THE 21ST CENTURY RONALD BRESLOW, Columbia University, Co-chair MATTHEW V. TIRRELL, University of California, Santa Barbara, Co-chair MARK A. BARTEAU, University of Delaware JACQUELINE K. BARTON, California Institute of Technology CAROLYN R. BERTOZZI, University of California at Berkeley ROBERT A. BROWN, Massachusetts Institute of Technology ALICE P. GAST,1 Stanford University IGNACIO E. GROSSMANN, Carnegie Mellon University JAMES M. MEYER,2 DuPont Company ROYCE W. MURRAY, University of North Carolina,t Chapel Hill PAUL J. REIDER, Amgen, Inc. WILLIAM R. ROUSH, University of Michigan MICHAEL L. SHULER, Cornell University JEFFREY J. SIIROLA, Eastman Chemical Company GEORGE M. WHITESIDES, Harvard University PETER G. WOLYNES, University of California, San Diego RICHARD N. ZARE, Stanford University Staff JENNIFER J. JACKIW, Program Officer CHRISTOPHER K. MURPHY, Program Officer SYBIL A. PAIGE, Administrative Associate DOUGLAS J. RABER, Senior Scholar DAVID C. RASMUSSEN, Program Assistant ERIC L. SHIPP, Postdoctoral Associate DOROTHY ZOLANDZ, Director

     1Committee member until July 2001; subsequently the Board on Chemical Sciences and Technology (BCST) liaison to the committee in her role as BCST co-chair. 2Committee member until March 2002, following his retirement from DuPont.

     v

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY KENNETH RAYMOND, University of California, Berkeley, Co-chair ALICE P. GAST, Massachusetts Institute of Technology, Co-chair ARTHUR I. BIENENSTOCK, Stanford University A. WELFORD CASTLEMAN, JR., Pennsylvania State University THOMAS M. CONNELLY, JR., DuPont Company JOSEPH M. DESIMONE, University of North Carolina, Chapel Hill, and North Carolina State University CATHERINE FENSELAU, University of Maryland JON FRANKLIN,

    University of Maryland RICHARD M. GROSS, Dow Chemical Company NANCY B. JACKSON, Sandia National Laboratories SANGTAE KIM, Eli Lilly and Company WILLIAM KLEMPERER, Harvard University THOMAS J. MEYER, Los Alamos National Laboratory PAUL J. REIDER, Amgen, Inc. LYNN F. SCHNEEMEYER, Bell Laboratories JEFFREY J. SIIROLA, Eastman Chemical Company ARNOLD F. STANCELL, Georgia Institute of Technology ROBERT M. SUSSMAN, Latham & Watkins JOHN C. TULLY, Yale University CHI-HUEY WONG, Scripps Research Institute STEVEN W. YATES, University of Kentucky Staff JENNIFER J. JACKIW, Program Officer CHRISTOPHER K. MURPHY, Program Officer SYBIL A. PAIGE, Administrative Associate DOUGLAS J. RABER, Senior Scholar DAVID C. RASMUSSEN, Program Assistant ERIC L. SHIPP, Postdoctoral Associate DOROTHY ZOLANDZ, Director

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     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     Preface

     The Workshop on Materials and Manufacturing was held on June 13-15, 2001, in Washington, D.C. This workshop was the first in a series of six workshops that will make up the study Challenges for the Chemical Sciences in the 21st Century. The task for each of the workshops is defined as follows: Discovery: Identify major discoveries or advances in the chemical sciences during the last several decades. Interfaces: Identify the major discoveries and challenges at the interfaces between chemistry/chemical engineering and such areas as biology, environmental science, materials science, medicine, and physics. Challenges: Identify the grand challenges that exist in the chemical sciences. Infrastructure: Identify the issues and opportunities that exist in the chemical sciences to improve the infrastructure for research and education, and demonstrate the value of these activities to society. The Workshop on Materials and Manufacturing brought together a diverse group of participants (Appendix D) from the chemical sciences who were briefed on a variety of issues related to the impact of and challenges for the chemical sciences as they relate to materials science and technology. These presentations served as a starting point for discussions and comments by the participants. The workshop participants were then divided into small groups who went into breakout sessions to develop these discussions further. Each group provided this feedback to the workshop as a whole. This report is intended to reflect the concepts discussed and opinions exvii

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     viii

     Preface

     pressed at the Workshop on Materials and Manufacturing. The report is not intended to be a comprehensive overview of all of the potential challenges that exist for the chemical sciences in the areas of materials science and technology. The organizing committee has used this input from workshop participants as a basis for the findings expressed in this report. However, sole responsibility for these findings rests with the organizing committee. This study was conducted under the auspices of the National Research Council's Board on Chemical Sciences and Technology, with assistance provided by its staff. The committee acknowledges this support. Klavs Jensen and Charlie Kresge, Co-chairs, Organizing Committee for the Workshop on Materials and Manufacturing Challenges for the Chemical Sciences in the 21st Century

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     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 (NRC's) Report Review Committee. The purpose of this independent review is to provide candid and critical comments that will assist the institution in making the 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 participation in the review of this report: Robert Cava, Princeton University Edwin Chandross, Bell Laboratories Toby Chapman, University of Pittsburgh Frank E. Karasz, University of Massachusetts Lydia Sohn, Princeton University Jack Solomon, Praxair Inc. Joseph Wirth, GE Chemicals (retired) Gregg A. Zank, Dow Corning Corporation 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 Dr. David C. Bonner, Cabot Corporation. Appointed by the National Research Council, he was responsible for making cerix

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology:Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     x

     Acknowledgment of Reviewers

     tain 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.

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     Contents

     EXECUTIVE SUMMARY INTRODUCTION 1 CONTEXT AND OVERVIEW Introduction, 9 Technical Challenges, 9 Social Context, 12 DISCOVERY Introduction, 18 Breakthroughs in Materials Development, 18 Methods of Discovery, 20 Summary and Findings, 24 INTERFACES Introduction, 28 Materials Chemistry and Medicine, 28 Structural Materials, 30 Information Technology and Communications, 30 National Security, 31 Environment, 31 Agriculture and Food Services, 35 Art and Literature, 36 Summary and Findings, 36 xi

     1 8 9

     2

     18

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     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     xii 4 CHALLENGES Introduction, 37 Major Research Challenges, 37 Summary and Findings, 42 INFRASTRUCTURE Introduction, 44 Infrastructure Issues: University Research and Teaching, 45 Infrastructure Issues: Academic-Industrial Interface, 47 Infrastructure and Federal Support of Research, 48 Summary and Findings, 49

     Contents

     37

     5

     44

     APPENDIXES A B C D E Statement of Task Biographies of the Organizing Committee Members Agenda Participants Reports from the Breakout Session Groups 53 54 56 60 63

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     Executive Summary

     CONTEXT AND OVERVIEW Researchers in the chemical sciences synthesize and process materials by manipulating chemical reactions and physical transport. This ability to construct materials from

    molecular components, combined with the ability to manipulate materials for function, has blurred the line between chemistry and materials science. Similarly, as the chemical sciences have developed materials and devices to explore biological processes and used biologically inspired self-assembly to create materials from molecular building blocks, the boundaries with biochemistry and molecular biology have also been blurred. Advances in synthesis and processing of materials continue to have significant impact on emerging fields such as biotechnology, information technology, and nanotechnology. Materials with tailored functionality (such as high strength, electronic, or optical properties) are critical to modern technologies. For example, high speed computer chips and solid state lasers are complex, three-dimensional composite materials built by organizing chemical entities with nanometer precision through the application of synthesis procedures. As advances on materials continue, chemical resolution on the nanometer scale will be required. As a result, better preparation of both new and existing materials is needed, along with preparations that are cost effective and have minimal environmental impact. Particularly in the field of nanotechnology, advances in synthetic techniques such as new vapor, liquid, and solid catalytic reactions will be needed. In addition, new self-assembly methods offer opportunities for "bottom up" synthesis of materials from their molecular constituents. The ability of the chemical sciences to modify and predict molecular struc1

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

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     MATERIALS SCIENCE AND TECHNOLOGY

     tures and the emerging understanding of self-assembly, promises a revolution in new materials with properties thus far only predicted by theory. Decisions about the development and implementation of new materials will ultimately be based on cost versus benefit for our society. A strong competitive advantage can be gained in materials development from an efficient iteration between molecular alterations of a chemical or material and the processes by which the chemical or material is "engineered" into the final product. DISCOVERY As new materials requirements become more complex, materials chemistry is increasingly turning toward the discovery of new materials and methodologies. Methodologies continue to take advantage of pure serendipity and trial and error approaches, but they are significantly enhanced by new approaches such as combinatorial synthesis, high-throughput screening, and molecular computations. In the past several decades, the chemical sciences have made large strides in the development of novel and useful

    materials. The development of thermoplastics and/or structural polymers has had an increasing influence on a range of applications, particularly in construction and national defense. New polymers have led to such devices as low current/low power polymer-based displays. Moreover, polymers for drug delivery and tissue engineering are beginning to benefit the biomedical field. Catalysis has been an especially fruitful area of research in the energy and transportation sector, with the catalytic converter being the ubiquitous example of novel catalysis benefiting society broadly through reduced air pollution. The development of metallocene catalysts is leading to high-strength polyethylene for multiple applications, ranging from grocery bags to light weight armor. Photoresist, a photochemically active polymer, has made it possible to define with nanometer accuracy the complex patterns that form the backbone of computer chip production. New advances are being made in organic-based electronics that might be useful in a variety of applications, including large-area displays, memories, sensors, and identification tags. Three-dimensional photonic crystals with complete photonic band gaps at optical telecommunication wavelengths are expected to result in revolutionary optically integrated photonic circuits for computers and telecommunication systems. Materials chemistry is drawing on a wide range of means to develop new compounds and applications. Design by analogy is perhaps the most common method used to produce new materials. The development of new inorganic nanoscale materials by analogy with biological systems is just one example of this approach. Future materials technologies are going to require molecular structures of increasing complexity and precision composition that is greater than that possible today. Materials will have to be tailored from the molecular level to the macroscopic device in order to achieve the functionality required by advanced technological applications. Molecular self-assembly inspired by biological syn-

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     EXECUTIVE SUMMARY

     3

     thesis may hold the key to new routes useful to future technologies. Because most processes for synthesis by analogy presently remain imprecise, high-throughput methods of synthesis and analysis offer another promising alternative to conventional cycles of design, re-evaluation, and redesign. The rapid increase in computing power continues to have considerable impact on analytical and computational methods. Molecular simulations, previously limited by both computing power and accuracy, now enable scientists to understand and design

    complex systems at the molecular level. The development of new instrumentation is essential in both materials characterization and in exploring potential applications. For example, scanning probe microscopy has enabled greater understanding of materials at the nanoscale and has enabled materials of this size to become active components in functional devices. The relative roles of "needs-driven" and "discovery-driven" research in materials science and engineering will always be an important consideration. While it may seem that "materials discovery" must lie in the latter area, there is considerable room for discovery in the fields of chemistry and chemical engineering on materials that have clear links to future technologies. The continued health of materials research will require fundamentally new insights into the behavior of materials (whether or not applications are identified at the outset) as well as developments driven by clearly articulated technological and market needs. Important research programs can mix these two kinds of objectives in many different ways, resulting in a broad spectrum of activities that is likely to lead to breakthroughs. Finding: Materials discovery occurs via many routes. A diverse portfolio of interdisciplinary research efforts directed toward discovery of new materials systems is likely to produce significant advances in this field. Finding: Renewed and expanded emphasis on synthesis, catalysis, and processing methods will be essential to continuing advances in materials science and technology. Finding: Recent developments in combinatorial synthesis, high-throughput screening, and molecular-based computation of materials offer substantial promise as adjuncts or alternatives to more traditional programs of design, evaluation, and re-design. INTERFACES Materials chemistry is interdisciplinary by nature. Cooperative efforts between materials chemistry and other disciplines have given rise to many of the synthetic materials introduced over the course of the twentieth century. Advances in new materials often result from work on a specific or perceived need in several different areas. As a result, materials chemistry is closely linked to materials

     Copyright National Academy of Sciences. All rights reserved.

     Materials Science and Technology: Challenges for the Chemical Sciences in the 21st Century http://www.nap.edu/catalog/10694.html

     4

     MATERIALS SCIENCE AND TECHNOLOGY

     science, physics, biology, medicine, along with many other fields. Work at the interfaces among these disciplines represents some of the most exciting and challenging areas of scientific inquiry today and raises expectations of significant technological impact in the future. Scientists and engineers of all backgrounds need to better understand the various disciplines?ªthe language of each, how to work with each

    other, and how to fund and reward collaborative activities. Work at the interface between materials chemistry and medicine over many decades has brought innumerable advances that we take for granted today. Materials that can be implanted into the body and remain for many years without adverse effects require understanding of the biological processes around the material and reactions that the material may undergo in the body once implanted. Collaborations at this interface have led to the development of special-purpose metal alloys and polymer coatings to prevent the body from rejecting prosthetic bone replacements. Materials chemistry has also had a significant impact on separations technologies such as hemodialyzers, blood oxygenators, intravenous filters, and diagnostic assays. Biocompatible polymeric materials have been developed for controlled delivery of drugs, proteins, and genes. Extensive work continues on new materials for medical diagnostics and particularly medical sensors. In the future, research in materials chemistry might include in situ drug production, cellular systems, and human integrated computing. It is certain that new sensors that take advantage of the latest developments in materials will be essential for health and national defense. The role of chemistry is so embedded in structural materials that it is almost taken for granted. For example, the materials in modern cars and airplanes that make them safer, lighter, and more fuel efficient than their predecessors result from advances in materials synthesis and processing. Coatings on structural materials, whether to inhibit corrosion, protect, beautify, or serve some other purpose, are also the products of materials chemistry?ªas is the adhesion of these coatings to the base material. The identification of appropriate combinations of materials in a composite and optimization of processing conditions require a detailed understanding of the underlying chemical processes. In the future, structural materials will incorporate sensing, reporting, and even healing functions into the body of the material. Such "smart materials" will require integration of dissimilar materials, which can only be achieved through collaborations across the many disciplines involved. Chemistry has had a tremendous role in developing the materials and processes forming the basis for advanced computing, information, and communications technologies. The modern chip fabrication facility is essentially a chemical factory in which simple molecular materials are transformed into complex threedimensional composites with specific electronic functionality through the use of chemical processes such as photoresist, chemical vapor deposition, and plasma etching. Two exciting future directions are the migration of electronic and optical organic materials and realization of analogous control of light via photonic lat-

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