libro_bianco_materials Max Planck.pdf

8/19/2019 libro_bianco_materials Max Planck.pdf

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E U R O P E A N W H I T E B O O KO N F U N D A M E N T A L R E S E A R C H

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CONTENTS | PREFACE | EXECUTIVE SUMMARY | INTRODUCTION 4

1. MATERIALS: SCIENCE AND ENGINEERING 18

2. MATERIALS: SCIENCE AND APPLICATION 68

3. INNOVATION IN MATERIALS SCIENCE BY

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INTERDISCIPLINARY

APPROACHES

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4. MATERIALS THEORY AND MODELLING 126

5. MATERIALS PHENOMENA 150

6. MATERIALS SYNTHESIS AND PROCESSING 194

7. ADVANCED ANALYSIS OF MATERIALS 234

8. MATERIALS SCIENCE IN EUROPE 268

9. MATERIALS SCIENCE AND BASIC RESEARCH IN EUROPE:CONCLUSIONS AND RECOMMENDATIONS 288

APPENDICES I TO V 310


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EUROPEAN WHITE BO O K

O N FUNDAMENTAL R ESEARCH IN M ATERIALS SC IE N C E

Contents

PrefaceG. Wegner, Vice President, Max-Planck-Gesellschaft, München, Germany

Executive SummaryM. Rühle, H. Dosch, E. Mittemeijer, M.H. Van de Voorde, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

IntroductionM. Rühle, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

1. M ATERIALS : SCIENCE AND ENGINEERING

Introduction

1.1. Metals and Composites: Basis for Growth, Safety, and EcologyD. Raabe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf, Germany

1.2. Advanced Ceramic Materials: Basic Research ViewpointF. Aldinger, Max-Planck-Institut für Metallforschung, Stuttgart, GermanyJ.F. Baumard, ENSCI, Limoges, France

1.3. Advanced Ceramic Materials: Summary of Possible ApplicationsG. Fantozzi, D. Rouby, J. Chevalier, P. Reynaud, GEMPPM, INSA de LYON, Lyon, France

1.4. Inorganic MaterialsJ. Etourneau, I.C.M.C.B., Université de Bourdeaux, Pessac, France

1.5. Soft Materials and Polymers:The Rise and Decline of Polymer Science & Technology in EuropeP. Lemstra, Faculteit Scheikundige Technologie, Technische Universiteit Eindhoven, The Netherlands

1.6. Soft Materials and Polymers: Strategies for Future Areas of Basic Materials ScienceG. Wegner, Max-Planck-Institut für Polymerforschung, Mainz, Germany

1.7. Carbon MaterialsR. Schlögl, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, GermanyP. Scharff, Institut für Physik, Technische Universität Ilmenau, Thüringen, Germany

1.8. Electronic and Photonic MaterialsA.Trampert and K.H. Ploog, Paul-Drude-Institut für Festkörperelektronik, Berlin, Germany

1.9. Nanotechnology and Semiconducting MaterialsM. Lannoo, ISEM, Maison des Technologies, Toulon, France

Conclusions

2. M ATERIALS : SCIENCE AND APP LICATION

Introduction

2.1. Biomaterials: EvolutionN. Nakabayashi and Y. Iwasaki, Tokyo Medical and Dental University, Kanda, Tokyo, Japan

2.2. Biomaterials: Research and DevelopmentW. Bonfield, Department of Materials Science & Metallurgy, University of Cambridge, Cambridge, United Kingdom

2.3. Biomaterials: Medical ViewpointL. Sedel, Hôpital Lariboisière, Université Paris, Paris, France

2.4. Biomimetic Materials and Transport SystemsR. Lipowsky, Max-Planck-Institut für Kolloid- und Grenzflächenforschung, Golm bei Potsdam, Germany

2.5. Materials Science in CatalysisF. Schüth, Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, GermanyR. Schlögl, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany

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2.6. Optical Properties of Materials: “Harnessing” Light through Novel MaterialsP. Chavel, Laboratoire Charles Fabry de l’Institut d’Optique, Université Paris-Sud, Paris, France

2.7. Magnetic MaterialsH. Kronmüller, Max-Planck-Institut für Metallforschung, Stuttgart, GermanyJ.M.D. Coey, Department of Physics, Trinity College, Dublin, Ireland

2.8. Superconducting MaterialsR. Flükiger, Département Physique de la Matière Condensée, Université Genève, Genève, Switzerland

2.9. Materials for FusionH. Bolt, Max-Planck-Institut für Plasmaphysik, Garching bei München, Germany

2.10. Materials for TransportationC.R. and W.E. Owens, UniStates Technology Corporation, Medford, Massachusetts, United States

2.11. Materials Science in SpaceP. R. Sahm, Institut für Giesserei , RWTH Aachen, GermanyG. Zimmermann, ACCESS e.V., Aachen, Germany

Conclusions

3. M ATERIALS – INN OVATIO N I N M ATERIALS SCIENCE BY

N EW I NTERDISCIPLINARY APPROACHES

Y. Bréchet, ENSEEG/INP-Grenoble, Saint Martin d’Heres, FranceW. Pompe, Institut für Werkstoffwissenschaften, Technische Universität Dresden, Dresden, GermanyM. Van Rossum, Advanced Semiconductor Processing Division, IMEC, Louvain, Belgium

Introduction3.1. Present State of Materials Science3.2. Multidisciplinarity in Materials Science3.3. Obvious Needs for New Ideas3.4. Important Topics inScaling of Materials

3.5. Learning from“Mother Nature”3.6. Option for a New Interdisciplinary Approach3.7. Molecular Bioengineering – a New Challenge for Materials Scientists3.8. Expectations for the Near Future3.9. Actions that have to be Undertaken

Conclusions

4. M ATERIALS THEORY AND M ODELLING

Introduction

4.1. Predictive Modelling of MaterialsA.M. Stoneham, Centre for Materials Research, University College London, London, United Kingdom

4.2. From Basic Principles to Computer Aided DesignK. Kremer, Max-Planck-Institut für Polymerforschung, Mainz, Germany

4.3. Theory, Simulation and Design of Advanced Ceramics and CompositesC. A. J. Fisher, Japan Fine Ceramics Centre, Nagoya, Japan

4.4. Modelling Strategies for Nano- and BiomaterialsH. Gao, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

Conclusions

5. M ATERIALS P H E N O M E N A

Introduction

5.1. Thermochemistry of MaterialsF. Aldinger, Max-Planck-Institut für Metallforschung, Stuttgart, GermanyJ. Ågren, Materials Science & Engineering, Royal Institute of Technology, Stockholm, SwedenR. Ferro, Dipartimento di Chimica, Università di Genova, Genova, ItalyG. Effenberg, MSI, Materials Science International Services GmbH, Stuttgart, Germany

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5.2. Phase TransformationsE. Mittemeijer, F. Sommer, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

5.3. Interface ScienceR. C. Pond, Department of Materials Science &Engineering, University of Liverpool, Liverpool, United Kingdom

5.4. NanomaterialsG. J. Davies, Faculty of Engineering, University of Birmingham, Birmingham, United KingdomO. Saxl, The Institute of Nanotechnology, Stirling, Scotland, United Kingdom

5.5. Small-Scale Materials and StructuresE. Arzt, P. Gumbsch, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

5.6. Colloid Physics and ChemistryM. Antonietti, H. Möhwald, Max-Planck-Institut für Kolloid- u. Grenzflächenforschung, Golm b. Potsdam, Germany

5.7. Mechanical Properties of Metals and CompositesP. Van Houtte, Faculty of Applied Sciences, Catholic University of Louvain, Louvain, Belgium

5.8. Electronic Structure and Correlation

J. Kirschner, U. Hillebrecht, Max-Planck-Institut für Mikrostrukturphysik, Halle/Saale, GermanyM. von Löhneysen, Physikalisches Institut, Universität Karlsruhe, Karlsruhe, Germany

Conclusions

6. M ATERIALS S YNTH ESI S AND P ROCESSING

Introduction

6.1. Thin Film ScienceT. Wagner, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

6.2. Synthesis and Processing of Inorganic MaterialsJ. Etourneau, I.C.M.C.B., Université de Bordeaux, Pessac, FranceA. Fuertes, Instituto de Ciencia de Materiales, CSIC, Bellaterra-Barcelona, SpainM. Jansen, Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany

6.3. Synthesis/Processing of Ceramics and Composite MaterialsT. Chartier, ENSCI, Limoges, France

6.4. Synthesis of Polymeric MaterialsP. Lutz, Insti tut Charles Sadron, Strasbourg, France

6.5. Metal-Matrix Composites: Challenges and OpportunitiesA. Mortensen, Swiss Federal Institute of Technology, Lausanne, SwitzerlandT. W. Clyne, Materials Science and Metallurgy Department, University of Cambridge, Cambridge, United Kingdom

6.6. Ceramic Matrix CompositesR. Naslain, Laboratoire des Composites Thermo-Structuraux, Université de Bordeaux, Pessac, France

6.7. Polymeric Composite MaterialsM. Giordano, S. Iannace, L. Nicolais, Ingegneria die Materialie, Università ”Federico II”, Naples, Italy

6.8. Electronic SystemsP. S. Peercy, University of Wisconsin, Madison, Wisconsin, United States

6.9. Photonic SystemsP. S. Peercy, University of Wisconsin, Madison, Wisconsin, United States

6.10. EcomaterialsK. Yagi, S. Halada, National Institute for Materials Science, Tsukuba, Ibaraki, Japan

Conclusions

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Introduction

7.1. X-Rays (Synchrotron Radiation)J. Schneider, DESY-HASYLAB, Hamburg, Germany

G. Kaindl, Institut für Experimentalphysik, Freie Universität Berlin, Berlin, GermanyC. Kunz, European Synchrotron Radiation Facility, Grenoble, FranceH. Dosch, Max-Planck-Institut für Metallforschung, Stuttgart, GermanyD. Louër, Laboratoire de Chimie du Solide, Université de Rennes, Rennes, FranceE. Mittemeijer, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

7.2. NeutronsD. Richter, Institut für Festkörperforschung, Forschungszentrum Jülich GmbH, Jülich, GermanyK.N. Clausen, Risø National Laboratories, Roskilde, DenmarkH. Dosch, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

7.3. High-Resolution MicroscopyM. Rühle, Max-Planck-Institut für Metallforschung, Stuttgart, GermanyK. Urban, Institut für Festkörperforschung, Forschungszentrum Jülich GmbH, Jülich, Germany

7.4. Surface Science and Scanning Probe MicroscopyD.A. Bonnell, University of Pennsylvania, Philadelphia, Pennsylvania, United StatesM. Rühle, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

7.5. Three-Dimensional Atom ProbeG.D.W. Smith, Department of Materials, Oxford University, United KingdomM. Rühle, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

7.6. Laser SpectroscopyTh. Elsässer, Max-Born-Institut für Nichtl ineare Optik und Spektroskopie, Berlin, Germany

7.7. NMR SpectroscopyH.W. Spiess, Max-Planck-Institut für Polymerforschung, Mainz, Germany

Conclusions

8. M ATERIALS SC IE N C E IN EUROPE

H. Dosch, M.H. Van de Voorde, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

8.1. The Importance of Materials8.2. The Role of Basic Materials Science8.3. Social Acceptance of Basic Research8.4. The Interdisciplinarity Challenge8.5. New Schemes for Education, Research Careers and Researcher Mobility8.6. European Centres and Facilities for Materials Science

8.7. New Strategies for European Research/Projects and Project Management8.8. Relations between Academia and Industry8.9. International Collaboration

Annex 1 A European Network of Excellence in CatalysisR. Schlögl, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany

9. M ATERIALS SCIENCE AND BASIC RESEARCH IN EUROPE :

C ONCLUSIONS AND RECOMM ENDATIONS

H. Dosch, M.H. Van de Voorde, Max-Planck-Institut für Metallforschung, Stuttgart, Germany

Introduction9.1. Materials Phenomena and Techniques9.2. Materials Systems9.3. Materials Interdisciplinarity9.4. New Research Strategies and Infrastructures in Europe9.5. Closing Remarks

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ecause we live in a knowledge-based andinformation-driven society, Europeans arefaced with the challenge of globalization.This affects European industry, economy,

and academia on many levels. However, the productionof new knowledge and know-how is no longer the privi-lege of only a few nations. We see a world-wide competi-tion to establish and promote the very best centres ofexcellence in fields where basic insights and the creationof new knowledge produce emerging technologies. In anattempt to gain global leadership, major companies seekto develop close collaborations with these centres acrosspolitical borders. Unfortunately, in the process they almostcompletely neglect old and established t ies to their respec-tive national academic research systems.

Academic research institutions of the individual Europe-an member st ates have significantly contributed to thepresent success of advanced technologies and the healthycompetitive atmosphere of European Union (EU) indus-tries. However, these institut ions and individual cent res,which are traditionally supported by national resources,are too small to maintain leadership in the light of the stiff competition from North America, East Asia, and otheremerging parts of the world. In the spirit of Europeancooperation it is therefore absolutely necessary to enhancethe creativity and efficiency of the output of research bycombining the efforts of the very best research centres of the EU member states, particularly in fields where basicresearch is expected to create or enhance new opportu-nities for EU industries. By doing this, we will secure thequality of life in these member states.

To promote industrial growth, a vibrant economy, andsocial welfare, Europe must be among the world’s leadersin all fields of materials science and engineering research.That goal is certainly achievable. Innovations in materialsscience abound in nearly all arenas of modern Europeansociety, including environment, energy, agriculture,health, information and communication, infrastructureand construction, and transportation.

The futu re promises equally dramatic advances, makingmaterials science a unique and exciting area of great scien-tific research, with far-reaching industrial, economic, andsocietal impact. We will see “intelligent” materials thatwill enable diverse technologies to respond dynamicallyto changes in the environment. New materials will be syn-thesized atom by atom. Indeed, the number of possiblecombinations of atomic assemblies to achieve new struc-tures and properties is seemingly endless, and thismechanistic understanding will provide powerful toolsfor materials and process development. Quite simply,basic research is the most important research investmenta country can make.

The exploitation of these possibilities requires thattalented researchers work in multidisciplinary teams thatbring together scientists in materials science, physics,chemistry, biology, mathemat ics, informatics, and engi-neering. Capital-intensive, large-scale research instru-mentat ion will be required to characterize new materialsfrom their smallest constituents at all scales of assemblyto sophisticated equipment for synthesis, processing, andanalysis. Computational research and engineering will

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increasingly make use of supercomputers and computernetworks. Research in materials science and engineeringis capital intensive and its success will depend on inter-national collaboration.

In Europe, the knowledge and expertise in basic materialsscience is scattered among various research institutions.Thus, the crucial synergistic effect between universitiesand research institutes of various countries is partlylost and the European materials science potential hasnot been fully realized. A new European policy is neededfor long-term basic materials research. In this respect ,the intentions of the European Commission to promotethe basic science research landscape in Europe in thenext 6th Framework Programme (2002 – 2006) are veryrefreshing and beneficial to Europe’s future economy andsocial welfare.

The field of materials science has great challenges andis of the utmost importance for Europe; therefore, actionis urgent and necessary. It is within this context that theMax Planck Society, Germany’s primary basic researchorganization, has as many as seven different institu tesworking in materials science and appropriates 13 percentof its total budget for materials science, almost as muchas its spends on astronomy and even more than it spendson physics. This demonstrates the importance of materialsscience within the context of the different disciplines.It also reveals the high expectations of the scientificcommunity and of the supporting political forces for aconstant stream of innovation coming from the researchon materials.

In this light, the Max Planck Society, together with a largenumber of leading materials scientists in Europe and incollaboration with the European Commission’s ResearchArea, has taken the initiative to prepare the present Euro-pean Materials White Book. It is an assessment of basicresearch in materials science worldwide, highlightingfuture directions and pinpointing research priorities forEurope. Examples of the societal impact of the field aregiven, and topics such as materials education, researchcareers, and the role of the civic scientist are discussed.

It is our firm conviction that the European researchcent res, if they join forces, are ready to gain world-wideleadership to the benefit of all of Europe.

Gerhard Wegner

Vice-President of the Max Planck Society

Director, Max-Planck-Institut für Polymerforschung Mainz

Professor, University of Mainz

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In the year 2000, the Max-Planck-Institut fürMetallforschung in Stuttgart, in conjunction withother materials-related institutes of the MaxPlanck Society, and institutes and universities from

all over Europe, decided to prepare a White Book on thetopic of “Strategies for Future Areas of Materials Scienceand Basic Research in Europe.” The aims of the studieswere:

1. To assess the state of the art and pinpoint future chal-lenges, needs, and research priorities,

2. To highlight the fundamental scientific opportunitiesin this field,

3. To consider the impact of materials science on society,and vice versa,

4. To find the best ways of attracting more students tothe field and ensure high-quality education,

5. To provide guidelines for science policy makers and tooffer a basis for fundamental materials science pro-grammes in Europe.

Preparation of this White Book has involved extensive con-sultation with leading materials scientists, primarily with-in Europe (most notably from the CNRS in France and theMPG in Germany), but also from the United States andJapan. Discussions were also undertaken with industrialresearch directors and relevant policy makers.

Materials science can be defined roughly as “the study of substances from which something else is made or can bemade; the synthesis, properties, and applications of thesesubstances.” This definition covers both natural andsynthetic, traditional and advanced materials. For the pur-poses of this book, however, the discussion is confined tothose materials that form the basis of modern, futuristichigh technology. These advanced materials include steelsand other metallic alloys; superalloys; polymers; carbonmaterials; optical, electronic, and magnetic materials;superconductors; technical ceramics; composites; andbiomaterials. All of these, and others, are discussed in thisbook in terms of:

1. Synthesis and processing to arrange the atoms andlarger-scale components of a system into the desiredconfiguration,

2. Composition and microstructure to understand theroles they play in determining the behaviour of mate-rials,

3. Phenomena and propertiesto reveal underlying mecha-nisms,

4. Performanceto assess suitability for a given application,

5. Materials design and lifetime prediction by theoreticaland computational methods.

E X E C U T I V E SUM M AR Y

Manfred Rühle | Helmut Dosch | Eric J. Mittemeijer | Marcel H. Van de VoordeMax-Planck-Institut für Metallforschung, Stuttgart

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Materials science plays a pivotal role in determining andimproving economic performance and the quality of life,particularly in the following areas:

Living Environment: Because of pressing environmental

concerns more efficient use of material and energy resourc-

es is urgently required. Materials science is helping to

develop new energy generation technologies, more energy-

efficient devices, and easily recyclable, less toxic materials.

Health:Overcoming disease and providing worldwide med-ical care are high priorities. Materials science, in conjunc-tion with biotechnology, can meet this challenge by, e.g.,developing artificial bones and organ implants, safe drugdelivery systems, water filtration systems, etc.

Communication:The increasing interconnectedness of ourworld requires faster and more reliable means of commu-

nication. The information and associated computerrevolutions closely depend on advances made by scientistsworking on new electronic, optical, and magnetic materials.

Consumer Goods:Consumers have come to expect globalproducts/services that are delivered rapidly at reasonableprices. Materials science can improve not only the prod-ucts but also the way they are handled (e.g., packaging),

resulting in faster production and delivery times and high-er quality goods.

Transport:Whether for business, holidays, or space explo-ration, materials science is needed to provide durable,high-performance materials that make travelling faster,safer, and more comfortable. Examples are the develop-ment of light-weight aluminium bodies for automobiles,brake systems for high-speed trains, quieter aircrafts, andinsulation tiles for re-entry spacecrafts.

The Importance of Materials for Modern Technology

Several challenges face materials science at the begin-ning of the 21st Century. The first is to convince indust ry,the public, and politicians of the importance of materialsscience in driving modern technological development. Asthere is often a considerable time lag between a scientificdiscovery and its useful application, people can forget thelink that connects fundamental research and future pros-perity. Without continued investment in the science base,however, the discoveries of today-and the highly trainedexperts necessary to develop and exploit them-will not beavailable for the innovative products of tomorrow.

In the field of materials science, the barriers that divideacademia, government institutions, and industry must bereduced if not completely eliminated. Only in this waywill it be possible to turn fundamental discoveries intopractical applications for the benefit of Europe. Fosteringlinks between researchers, theoreticians, industrial scien-tists, and managers through collaborative schemes and joint research institutes is an obvious solution, but manyimportant issues can arise. For example, how can we bet-ter protect intellectual property rights, and who gets todictate the research agenda? It is also important that pro-fessional advice on such areas as how to attract invest-

ment for joint ventures and how to set up spin-off compa-nies to exploit the results of fundamental research bemade available to public sector scientists.

Future Directions and Research PrioritiesGreater emphasis needs to be placed on the fundamentalunderstanding of materials rather than on applied scienceand product development. Naturally, application of mate-rials is the ultimate goal, but th is needs to be bu ilt on afirm theoretical basis so that improvements can be mademore efficiently and reliably. Particular at tent ion shouldbe given to understanding a material’s behaviour from theatomic/nano-level via microstructure to macrostructurelevels using advanced analytical techniques and comput-er modelling. This strategy applies to both t he improve-ment of conventional “bulk” materials, such as steel, andto new functional materials for increasingly smaller,“smarter” devices. As shown in th is report, Europe has thecapabilities to provide that fundamental understanding.

Materials by DesignIn the past, the search for new and improved materialswas characterized mostly by the use of empirical, trial-and-error methods. This picture of materials science has

Challenges for Basic Research in Materials Science

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been changing as the knowledge and understanding of fundamental processes governing a material’s propert iesand performance (namely, composition, structure, history,and environment) have increased. In a number of cases,it is now possible to predict a material’s properties beforeit has even been manufactured thus greatly reducing thetime spent on testing and development.

The objective of modern materials science is to t ailor amaterial (starting with its chemical composition, constit-uent phases, and microstructure) in order to obtain a

desired set of properties suitable for a given application.In the short term, the traditional “empirical” methods fordeveloping new materials will be complemented to a great-er degree by theoretical predictions. In some areas, com-puter simulation is already used by industry to weed outcostly or improbable synthesis routes. Greater Europeancollaboration is required to develop computational tool formaterials and processing development and for propertyevaluation in a “virtual” environment.

NanomaterialsThe ability to control, manipulate, and design materialson the nanometre scale (10-9 m) will be one of the majortechnology drivers of the 21st Century. Many research pro-grammes, both in academia and industry, have sprung uparound the world over the last few years in an intense ef-fort to harness the potential of these materials for gener-ating new functionalities, minimizing waste and pollu-tion, and optimizing properties and performance. N ano-materials are being developed from almost every type of material-including polymers, metals, ceramics, compos-ites, and biomaterials. While not confined to any particu-lar materials class or system, nanomaterials, along withthe closely associated fields of smart materials and bio-mimetic materials, are united by the use of a “materials bydesign” philosophy in t heir creation. Some of the manyassorted applications that are likely to be seen in the fu-ture include ultraprecise drug-delivery systems, nanobotsfor micromanufacturing, nanoelectronics, u ltraselectivemolecular sieves, and nanocomposites for aircraft andother high-performance vehicles.

Smart MaterialsOne area of research that will revolutionize our conceptof synthetic materials, as well as how we interact with oursurroundings, are “smart” (or “intelligent”) materials. Un-like normal, inert materials, smart materials are designedto respond to external stimuli, adapting to their environ-ment in order to boost performance, extend their usefullifetimes, save energy, or simply adjust conditions to bemore comfortable for human beings. Materials will alsobe developed that are self-replicating, self-repairing, or

self-destroying as required, thus reducing waste and in-creasing efficiency. Smart materials are being developedby combining regular materials from different classes(metals, ceramics, polymers, biomaterials) in complex ar-chitectures (e.g., fracture-sensing composites and artifi-cial muscles). Combined with technologies for manufac-turing and controlling structures on the atomic scale(nanomaterials) and mimicking biological systems (bio-mimetics), the possibilities for newer and better materi-als seem almost endless.

Biomimetic MaterialsThe rapidly emerging field of biomimetic materials willform one of the most important t echnologies of the 21st

Century. Biomimetic materials seek to replicate or mimicbiological processes and materials, both inorganic and or-ganic (e.g., synthetic spider silk, DNA chips, and nano-crystal growth within virus cages). Better understandingof how living organisms produce minerals and compositeswill open up new areas of research and applications. Ma-terials will be able to be fabricated much more preciselyand efficiently, resulting in new funct ionalities and in-creased performance (e.g., self-repairing, ultrahard, andultralight composites for aircraft). To develop these mate-rials, we will need new chemical strategies that combineself-assembly with the ability to form hierarchically struc-tured materials.

Synthesis and ProcessingThe goal of future synthesis and processing techniques isto allow scientists to construct tailor-made materials fromcomplex arrangements of atoms and molecules with thesame precision and control as currently used for manu-facturing semiconductors. Promising synthesis tech-niques described in this report include chemical process-ing from simple precursor units, soft solution processing,rapid prototyping of ceramic and metallic components us-ing ink-jet technology, microwave sintering, gas-phasemethods such as chemical and physical vapour deposi-tion (CVD-PVD) for forming thin films, composite infil-tration, and many more.

Computational Materials ScienceComputer modelling, using supercomputers, heavy-dutyworkstations, and personal computers, will be an indis-pensable tool for basic and applied materials science inthe future. It is already an important tool in many areas of science and engineering, including drug design, climateprediction, aeronautics, and even personnel training!Considerable progress has been made over the last 20years in the simulation of properties and the processing of metals, polymers, and ceramics having increasing com-plexity. Computat ional strategies are emerging that pro-

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vide physical and chemical descriptions of materials overlarger length and time scales. One of the “hot topics” incomputational materials science today is multiscalemodelling, which aims to cover several length and timescales with one consistent simulation framework.

Advanced Analytical TechniquesMaterials scientists will require new and more powerfulanalytical techniques so that they can continue the dis-covery of new phenomena and develop improved mate-rials for the future. Techniques such as high-resolution

transmission electron microscopy, scanning probe micros-copy, X-ray and neutron diffraction, and various kinds of spectroscopy allow us to examine materials on the atomiclevel. These techniques need to be developed, improved,and extended further by integrating them with morepowerful computers for rapid visualization of data andcomparison with computer models. These techniqueshave an particular importance in the area of materialssynthesis, where they can also be used for manipulatingand cont rolling materials on the atomic and nano levels,as in atomic force microscopy.

The development of new materials and their applicationswill eventually affect everyone, not just those in industry,business, or the academic sphere. At th is time, when sci-ence, technology and society are all rapidly changing, wemust not only consider how materials science affects soci-ety but also the ways in which society affects the develop-ment of materials science.

Social Acceptance of Materials ScienceThere is a need for an improved public understanding of all forms of science, particularly of a low-profile disciplinesuch as materials science. The materials science commu-nity must therefore be more effective in communicatingto the public the manifold benefits it brings. Society investsin research not only for the sake of obtaining newknowledge but also to improve human life. Therefore, thepublic has a right to know what scientists do and howbasic science research and achievements affect society.Basic science is viewed sceptically by an increasing num-ber of young people, partly because scientists have failedto convey the relevance and motivation of their research tothe nonscientific public.

Strategies for increasing the public’s understanding ofscience include events and programmes designed to ex-pose more high school students to the wonders of science.These can include consultations between materials scien-tists and high school teachers and authorities on howto incorporate introductory materials science into schoolcurricula; summer internships in industrial laboratoriesfor high school students; and “sabbaticals” for scienceteachers so that they can take science refresher courses atuniversities. Other venues for improving materialsscience’s public profile can include TV shows on popularscience, research institute/university “open-house” events,

and scientific newspaper articles and magazines targetedat the general public that are inspiring and up to date.

Political Support of ScienceEuropean governments need to be made aware of theimportance of long-term, sustained support for materialsscience in order to ensure future prosperity and growth fortheir citizens. Although individual scientific ingenuity andcreativity are important, they are no longer sufficient forthe groundbreaking research that leads to new discover-ies. Large investments in basic research are needed, whichrequires politicians of vision and leadership.

Other ways that European governments can bring aboutchange in the relationship between the overall populationand the scientific community is by (a) creating a favour-able climate for investment in basic research, e.g., throughtax incentives; (b) opening dialogues between scientistsand citizens about scientific issues and the directions Eu-ropean technology should take; and (c) preparing forward-thinking, long-term science policies that give researchersthe freedom to pursue curiosity-driven research, with sup-port for turning new discoveries into pract ical applications.Finally, to ensure that long-term strategies and researchprograms are founded on sound science, experts in mate-rials science should also be included in joint EuropeanResearch Councils and their recommendations dissemi-nated to industry, academia, and the general public.

Basic Research and IndustryBoth industry and academia are under pressure to focustheir efforts on market-related aspects of product/processdevelopment at the expense of an understanding of thefundamental science. Many European companies haveeliminated corporate or central research laboratories to

Materials Science, Society, and Research Infrastructure in Europe

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align their R&D efforts more closely with immediate busi-ness needs. This is a dangerous policy for the future. Basicresearch is the most important investment that a companycan make, both for its own future and for the future of thesociety in which it operates. Although “blue skies” researchcan be costly in the short term, most breakthroughs, al-though unpredictable, usually result from such research.This report therefore st rongly urges all materials-relatedEuropean industries to increase their investment and com-mitment to basic research and create flexible researchagendas for making the most of new discoveries and

research findings.

Pursuing a research agenda in isolation, however, can bean expensive and time-consuming process for an individu-al company. Companies and academia alike would benefitfrom improved infrastructure and networks for perform-ing collaborative basic research. Even large pharmaceuti-cal, chemical, and semiconductor companies that havesubstantial “in-house” research programmes could benefitfrom European-wide networks because of the extra re-sources and manpower at their disposal. Materials-relatedindustries are therefore encouraged to establish and takepart in cooperative research schemes, particularly the newEuropean Materials Centres described below.

Materials Science and Education in EuropeEurope needs to do a number of things to ensure that thereare enough highly trained scient ists and talented research-ers in the field of materials science.

• A better public perception of materials science and itsimportance would encourage more young people tochoose a career in th is field. The wide range of careeropportunities in materials science needs to be betterpublicized in schools and universities. The top Europe-an universities should create materials science depart-ments that can attract the brightest students, and thatare competitive with the best departments and institu-tions in the world.

• Despite the current shortage of students studying mate-rials science and choosing careers in this field, the cur-rent standards of education and training across Europeare generally high. This level must be maintained or,preferably, improved. Students should be exposed to thelatest technological advances and how they are appliedin different fields. At the same time, career educationmust be promoted to inform students about the range of opportunities and career paths available in this materi-als science.

• Highly trained scientists and talented researchers areneeded at all levels of materials research, from industryto academia. Better incentives are needed to ensure thatEuropean researchers continue to work in Europe rath-er than moving abroad, and obstacles to non-Europeanresearchers working in Europe need to be removed. Agrowing number of materials science graduates are turn-ing to careers in other fields. Therefore, steps should betaken to ensure that none leave because of poor careeropportunities or lack of financial rewards. The numberof women studying materials science also needs to be

increased, and greater support provided for career pro-gression.

• The ideal balance between basic and applied researchneeds to be found to ensure Europe’s long-term pros-perity. The establishment of dedicated European C en-tres of Competence in Materials Science and Technolo-gy that will undertake fundamental research on behalf of industry, but are also connected to universities, is oneway to make the most of Europe’s scientific potential.

– Long-term fundamental research should be pursuedat European Centres for Materials Science, and alsoencouraged at universities, with researchers benefit-ing in terms of ideas and t raining from contact withindustry.

– Short-term research programs with industrial rele-vance can be carried out at the European Centres for Materials Technology, with input from university andindustrial researchers in a collaborative framework.

– Long-term industrial research (to meet particular stra-tegic needs) should be undertaken within the partnercompany, with the short-term research centre projectsserving as feasibility studies.

• Modern materials science is an increasingly interdisci-plinary activity in which physicists, chemists, biologists,mathematicians, computer scientists, and engineers canall contribute their expertise to a wide range of scientificand technical problems. The growing fields of nanotech-nology, biomaterials, biomimetic materials, and smartmaterials will not prosper without intensive crossoverand interaction between disciplines. Fresh ideas, newinsights, and innovations will undoubtedly result fromgreater multidisciplinary interaction. To reap the re-wards of an interdisciplinary approach, universities andresearch institutes need to encourage more flexiblemovement between disciplines by (a) breaking down rig-id administrative structures and (b) setting up multidis-ciplinary groups or centres. National governments, fund-ing agencies, and the EC should also encourage inter-disciplinary activities by:

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– Sponsoring regular workshops, conferences, and sum-mer schools that focus on multidisciplinary areas inmaterials science

– Supporting the establishment of cross-disciplinaryresearch programmes

– Encouraging agreements between funding agenciesfor the establishment and coordination of multidisci-plinary materials research, e.g., bio- and medicalmaterials

– Granting fellowships and other financial support toscientists moving from one field to another

Major Research FacilitiesEquipment s – necessary for many important character-ization methods – are becoming increasingly sophisticatedand are often too expensive for single medium-sizedcompanies or university departments to afford. Therefore,a strong component of the EC ’s basic research supportshould be equipping and supporting large multiuserfacilities at specific locations. In the case of materialsscience, these facilities should include the latest high-energy electron microscopes and synchrotron and neutronradiation sources (e.g., to examine crystal structures andchemical bonding), high-pressure anvils, and supercom-puters. They will also serve as a place of contact betweenexperimentalists and theoreticians, and researchers fromdifferent disciplines. In addition, these state-of-the-art facilities will attract the world’s leading scient ists,helping Europe to maintain the highest levels of scientificexcellence.

European Centres for Materials Science and TechnologyEuropean Centres of Competence in M aterials Scienceand Technology need to be established to foster cross-fer-tilization of ideas and state-of-the-art science. They shouldinclude a basic research programme that gives graduateand postdoctoral students the opportunity to performworld-class experiments. The centres should also organizeworkshops, short courses, summer schools, industrialvisits, educational programmes, etc., for training scientistsand engineers. These could be newly established “brick-and- mortar” centres, “virtual” (i.e., networked) centres, or

extensions of current European materials research insti-tutes. The best of them could be designated “MaterialsCentres of Excellence,” with extra funding and higherwages earmarked for these institutes so as to attract thebest and brightest from around the world. This strategywill help motivate European researchers to return toEurope after stints of working abroad.

European Research NetworksMaterials science has advanced to the point where it isoften impractical (or indeed impossible!) to assemble inone place all of the intellectual resources and specialityequipment needed for a large-scale project. “Virtual”centres, or networks for materials science will be formedof research laboratories from academia, industry, andmajor facilities. These centres will be linked by high-speed Internet connect ions and will act as hubs for inter-disciplinary research. This will be the most efficient use of the research infrastructure and facilities that are spreadthroughout different Member States.

This study has identified four major themes that can serveas a guideline in discussing the advancement of materialsscience research in Europe:

The importance of materials science to the prosperityof future Europeans, and indeed, humankindThe need for better theoretical understanding of mate-rials and their behaviour, and the fundamental researchneeded to obtain thisThe highly interdisciplinary nature of materials science,and the excitement and personal rewards that a careerin this field can bringThe need for continued, long-term investment, partic-ularly basic research, by national governments, indus-try, and the European Commission

The relevance of materials science to modern society needs

to be emphasized and promoted beyond the research

community and industry to governments and the general

public. Forward-thinking and sustainable initiatives for

materials science research need to be launched that will

attract t he world’s best scient ists and ensure that more

fundamental discoveries come our way during the next

century. With the cooperation of government, industry,

academia, and the general public, European materials

science research can remain at the forefront of develop-

ments. We hope that this report will aid the discussion

of how this can best be achieved.

General Recommendations

1.

2.

3.

4.

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umankind’s existence has always depended on the

availability of materials. Indeed, h istorians use the

dominant materials of an ancient era to classify it:

they speak of the Stone Age, the Bronze Age, the Iron

Age. This reliance on materials has continued to the present

day, not only for our physical existence – clothing, buildings,

transport, and the innumerable other inventions that have

marked human progress – but also for our cultural and intel-

lectual lives as well-literature, art, music. In fact, without

materials the human endeavour would hardly be conceivable.

The latter half of the 20st Century was characterized by pro-found improvements in our knowledge and ability to create

new materials to a degree that could only be dreamed of a

hundred years ago. These advanced materials underpin all

modern technologies, from silicon chips to jet engines to med-

ical imaging. Because of this increased use of and reliance on

new materials, society needs to refocus its emphasis on mate-

rials development, something that it has often neglected in

the past. This requires a re-evaluation of the role of materials

science in society in order to guarantee the availability of new

tools with which to solve some of the most pressing problems

the world faces today, such as environmental pollution, a

dwindling supply of resources, overpopulation, and disease

epidemics.

The growing public awareness of these issues coincides with

the intention of the European Commission (EC) to reshape

the fundamental research landscape in Europe. This has

resulted in closer links between the EC and the Max-Planck-

Institutes involved in materials science and inspired the

idea of compiling this White Book on “Fundamental Research

in Materials Science.”

Work on the project began with a discussion meeting between

June 13 and 15, 2000 at Ludwigsburg, near Stuttgart, Germa-

ny, in line with the preparation of the new EC 6th Framework

Programme (2002 – 2006). About 75 leading scientists from

Europe and the U.S., including experts in the disciplines of

materials, mathemat ics, physics, chemistry, biology, informa-

tion technology, and engineering, met for two days of brain-

storming about the many different aspects of materials

science. (The programme is provided in Appendix I and the

list of participants in Appendix II).

Topics were selected and reviewed. For each topic, acknowl-

edged experts introduced the state of the art and presented

their visions for future evolutionary developments and

revolutionary breakthroughs. This was followed by open

discussions with scientists in the audience.

After the workshop, teams were formed and team coordina-

tors appointed. Each coordinator and team provided a

written summary of their discussions and ideas. Emphasis

was placed on the directions and opportunities for future

materials research, with reference to the social and economic

implications where relevant. This input formed the basis

of this White Book.

The initial conclusions, recommendations, and future

research opportunities resulting from this exercise were

discussed further at a second workshop on March 15/16, 2001

in Degerloch, again near Stut tgart. (The programme is pro-

vided in Appendix III and the list of participants in Appendix

IV). Attendance at this meeting was limited to the coordina-

tors, policy makers, representatives of the EC Director-

General for Research, heads of national laboratories, and

industrialists.

Throughout this period, close contact was maintained with

the EC Research Directorate for Materials to coordinate our

efforts to resulting in new research initiatives.

I N T R O D U C T I O N

M. Rühle | Max-Planck-Institut für Metallforschung, Stuttgart

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The format of the White Book follows the format of this

second meeting. That is, a wide variety of different classes of

materials and techniques are examined from as many view-

points as possible. Contributions from many differentauthors, all respected and acknowledged experts in their

fields, are grouped under the following chapter titles: (1) Ma-

terials: Science and Engineering; (2) Materials: Science and

Applications; (3) Interdiscipinarity in Materials Science; (4)

Materials Modelling and Materials Theory; (5) Materials

Phenomena; (6) Materials Synthesis and Processing; and (7)

Advanced Analytical Techniques. Individual scientists or

teams of scientists wrote the individual chapters of each sec-

tion. The author(s) bear(s) full responsibility for the content

of their chapter. (A list of authors is provided in Appendix V).

A few topics were discussed and analyzed by different

scientists from different points of view. This has led to a slightoverlap of a few topics.

It should be emphasized that the White Book does not claim

to cover all areas of materials science in detail. The chosen

subjects reflect the view of the individual scientists present.

Nevertheless, we believe that we have covered the main top-

ics relevant for the broader development of materials science.

The White Book sheds light on recent advances in fundamen-

tal research in each of these materials-related fields. It high-

lights the great importance for new synthesis and character-

ization methods, the search for new phenomena and materi-

als, and the growing use of computer models and theoretical

understanding in all areas of materials science. One of the

major theme, which came through clearly and consistently

from both, the meetings and the articles contained in this

book, is that the future of materials science lies in the cross-

over and exchange of ideas between disciplines. Consequent-

ly, a special chapter (Chapter 3) has been devoted to the inter-

disciplinary nature of materials science and how best to

foster it. This interdisciplinary aspect must also include

engineering. Because fundamental research in materials

science eventually results in a product that serves society,

materials – both traditional and advanced – must be “engi-

neered” at all length scales. Engineering at the smallest length

scale results in “nanomaterials” which open up new research

horizons; not only for tailoring complex materials with

specific and superior properties, but also for exploring new

phenomena that arise when matter is confined to within

molecular-sized structures.

An expansion of interdisciplinary research would be to con-

sider materials science, including fundamental research, as a

holistic concept ranging from processing to recycling of

materials – each step emphasizing also ecological aspects.

The holistic approach of materials science is essential for the

future welfare of society.

Chapter 8 examines the social aspects of science, including

new schemes for materials education, careers for research

scientists, and inter-European and international mobility of

researchers. In addition, a new strategy for basic materials

science research in Europe is presented, with suggestions on

how to organize European research efforts to the best effect.

The overall conclusions, recommendations, and directions

for future research are summarized in the final chapter (Chap-

ter 9), which highlights the importance of basic materials

research to economic growth and prosperity. This chapter also

provides insights into the research needs of various materials

classes and gives directions for future research opportunities

and activities in the materials science area.

The book as a whole is oriented towards fundamental aspects

of materials research, but visions of the future and other

opinions from industrial research authorities were also taken

into considerat ion. An important example of this is the rolethat basic materials research will play in future European

transportation systems. Materials science also has an impor-

tant part to play in alleviating many of the environmental

problems that we now face, not least of all by developing new

energy-efficient devices using fast ionic conductors and

improved catalysts.

The audience for this book, therefore, is large. It is addressed

to all materials scientists and scientists from materials-related

disciplines in Europe, as well as national and European policy

makers. Because of the necessity to focus on materials devel-

opment, this book is also of important to industry, especially

small and medium-sized enterprises. As well as providing an

up-to-date account of the latest technology and research top-

ics, it also provides ideas for future innovations, devices, and

applications of materials. If these can be developed by Euro-

pean industries, then Europe’s economic prospects, and con-

sequently its citizens’welfare, will be much the better for it.

This book serves as a call to European politicians to upgrade

their investment in basic materials science at least to a level

comparable with that in other industrialized countries,

notably the U.S. and Japan, so that European industry can

remain competitive well into the future, and we can pass on a

culturally, scientifically, and economically flourishing Europe

to future generations.

The editors of the White Book thank all the authors, helpers,

workshop participants, and colleagues from all participating

Max-Planck-Institutes, and The Max Planck Society, for the

enormous effort they have put in to making the publication of

this book possible. The support by Dr. Stephan Krämer, MPI

für Metallforschung Stuttgart, during the editing and printing

of the White Book is greatly acknowledged.

We trust that this White Book will result in the reinvigoration

of materials science in Europe. We especially hope it will open

the eyes of the public, opinion makers, and politicians to the

wonders of materials science, the benefits it brings, and its

role as one of the main pillars of economic progress and social

well-being in Europe and, indeed, the world as a whole.

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1 . MA T E R I A L S : SC I E N C EA N D E N G I N E E R I N G

CHAPTER 1

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18

aterials science is an interdisciplinary researcharea which covers the physics, chemistry and engi-

neering of all classes of materials. Traditionally, thesematerials are divided into metals and metallic alloys,ceramics, semiconductors and other inorganic materials,and polymers and organic materials. Recently, the scienceof materials has received increased attention because of the discovery of new classes of materials and their applica-tion in new technologies.

The traditional classification of materials into differentclasses or types is still helpful since specific engineeringapplications still rely on components made from materialsfrom one or other of these groups. In this chapter it will beshown that metals and metallic alloys (including compos-ites) still constitute the majority of structural and func-tional materials used within the EU, as well as worldwide.Use of this group of materials has an enormous technolog-ical and ecological impact on society, and one of the chal-lenges of materials science is to come up with metals withimproved properties via cheaper processing routes. This isespecially true for the automotive industry where synthe-sis and processing controls the microstructure, propert ies,and performance of metallic materials. It is now well ap-preciated that for this industry-which consumes enormousamounts of metals-to be sustainable, automobile designmust encompass the complete lifecycle of the materialsused, from processing to recycling.

The distinction between ceramics and other non-metallicinorganic materials is often difficult to define. In this chap-ter two aspects of these materials are described, namelyfundamental research and real-world applications. The fu-ture of non-metallic materials appears to lie in develop-ment and exploitation of specific functional properties. Asa group, ceramic materials have perhaps the largest rangeof functions of all known materials, and can be used for adiversity of applications. It is very important to understandthe fundamental processes which lead to specific proper-ties. In simple terms, ceramics are compounds or mixturesof compounds of metallic or metalloid elements with non-metal elements.

The properties of a particular material depend not only onthe chemical nature of its atoms, but also on their arrange-ment and distribution in its microstructure (grains, pores,etc). Materials with specific thermal, mechanical, nucle-ar, electrical, magnetic and optical properties can be fabri-cated. Due to the staggering variety of these materials andtheir possible combinations, there is still a huge amount of research that needs to be done. So far only a fraction of theinorganic materials that could possibly be put to use havebeen studied, and there is little doubt that many new com-pounds with unusual or superior properties are still to befound.

Inorganic solid state chemistry and physics investigate thebasic principles and provide the necessary background forresearch into the correlation between microstructure andproperties of inorganic compounds. Insights can beengained simply by comparing phenomena of different ma-Microstructure of polytype SiAlON (transmission optical micrograph

obtained with polarized illumination, U. Täffner, MPI für Metall-forschung Stuttgart).

!

Introduction

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terials with each other, but more rigorous understandingbased on quantum theory is also necessary for today’sadvanced materials.

Polymers find increasing number of applications everyyear. Recently, however, research into “traditional” poly-mers has declined. At present the polymer manufacturingindustry in Europe is undergoing major restructuring,which has led to severe cutbacks in companies’Research& Development (R&D). To fill this gap, universities shouldincrease the amount of fundamental research they do intopolymeric materials.

All life-forms are based on soft organic materials; polymerscience can therefore also be related to our understandingof biological materials, particularly carbon-based mate-rials. Ceramics, on the other hand, are similar to hard bio-logical materials such as teeth and bone, so that connec-tions between these two fields will continue to grow aswell. We can expect many more functionally useful mate-rials to become available in the future by manipulating thechemistry and processing techniques of all these materi-als, and combining them in new ways.

Carbon materials have received a lot of attention recentlythrough specific modifications such as graphite sheets(rolled up to form nanotubes or buckyballs) and syntheticdiamond. The basic principles of inorganic carbon chem-istry are understood. These specific forms of carbon areexpected to be useful for a variety of applications in differ-ent branches of engineering. Hence it is very importantthat links between the science of carbon and itsapplications be strengthened.

It is difficult to imagine modern society functioning todaywithout electronics. Electronic, optical, and photonic ma-terials play essential roles in information technology, com-puting, and systems control, as well as electronic consu-mer goods. There is a great deal of commercial pressure todevelop new materials for use in these areas. Fundamen-tal research into electronic, photonic and optical materialsis therefore essential for the continued improvement andminiaturization of electronic and photonic devices.

The following eleven sections summarise the state of theart for the different classes of materials. Expected evolu-tionary and revolutionary developments are sketched ineach section.

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1.1. Metals and Composites: Basis for Growth, Safety, and Ecology

D. Raabe | Max-Planck-Institut für Eisenforschung GmbH, 40074 Düsseldorf, Germany

1.1.1. The Place of Metals in the World of MaterialsMetallic alloys and composites represent the dominantgroup of structural and functional materials world wideand within the EU. This applies for their technological im-pact on society as well as for the scientific challenges asso-ciated with further discoveries and developments in thisfield. Fundamental and long-term oriented research onmetals and composites leads to the development of well-tailored technological solutions which serve society withrespect to sustainable progress, ecological benefits, ad-vanced safety demands, and economic success. Promi-nent challenges along these lines lie in understanding anddeveloping the fundamentals of lightweight structural ma-terials and design solutions, self-organising microstruc-tures, failure-tolerant materials systems, smart materials,and materials for ground and aerospace transportation(Fig. 1.1 and 1.2).

This report gives an overview of the most important futureresearch topics in the field of metals and composites re-search as collected and discussed within a group of about100 leading experts from the EU, Asia, and the U.S. Itgives corresponding recommendations for future basicresearch initiatives on metallic alloys and composites inthe 6th EC Framework Programme.

1.1.2. State of the Art and Expected TrendsThe state of the art in the field of metals and composites

research is characterized by a mature level of property opti-

mization and characterization particularly as far as bulk

mechanical aspects of conventional structural metallic ma-

terials are concerned. Basic principles behind bulk materi-

als kinetics and thermodynamics in such alloys are under-

stood to an extent that they can be used for the further grad-

ual optimization of existing alloy concepts with respect to

structural and/or funct ional properties. Recent European

programmes have focussed on improving and tailoring ex-

isting material concepts for matching technological andcommercial boundary conditions and on designing new

materials concepts beyond conventional R&D lines.

This research concept of the past decade has for manyaspects matured to a level where future activities, when

Fig. 1.1. Space vehicles which are at the cutting edge of high technol-ogy are built of structural elements of steels, aluminium, magnesiumand beryllium alloys and metal-matrix composites.

Fig. 1.2. Modern automotive technology relies on safety equipmentmade of advanced steels, aluminium, and magnesium alloys.

Contributors:

Y. Bréchet (LTPCM, BP75, Domaine Universitaire de

Grenoble, Saint Martin d’Heres, France), G. Gottstein (In-

stitut für Metallkunde und Metallphysik, RWT H Aachen,

Aachen, G ermany), J. De Hosson (Department Applied

Physics, University of Groningen, Groningen, The Nether-lands), P. Van Houtte (Department MTM, Catholic

University Louvain, Louvain, Belgium), V. Vitek (Depart-

ment of Materials Science and Engineering, University of

Pennsylvania, Philadelphia, U.S.).

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designed and pursued along the same lines as before, willlead to a more and more asymptotic research progress. Fu-ture long term research programmes must, therefore, for-mulate concepts to achieve distinct progress steps leadingEC projects beyond existing research plateaus. This ap-proach would maintain and strengthen the position of met-als and composite research as a key science and technolo-gy providing progress-critical input t o other key areas of science and high technology. It should thus be the aim of future research in this field that coming technology appli-cations are being pushed forward by materials rather then

vice versa.

Some key rules can be formulated to unleash unused po-tential of metallic and composite materials through a newEuropean framework research initiative with the aim of entailing fundamental progress steps pushing this disci-pline beyond existing R&D asymptotes.

• First, EC projects should make extensive use of novel experimental and theoretical toolsas well as advanced combi-nations of them. Although further improvements and ap-plications of well developed “workhorse” methods are es-sential to provide serious and systematic data for novelmaterials concepts, it is less likely that they play a bottle-neck role in future metals research such as the use of nov-el methods which will allow new observations, which havenot been made so far (some of the new research tools willbe specified below).

• Second, EC projects should address fundamental long-term problems of existing and cu tting-edge structural and

functional metallic materials concepts which are the basisof our economy but are not covered by applied or industryresearch. In this context it is important to note that indus-try pushes materials developments only to a level of imme-

diate commercial output and leaves behind numerous un-answered questions which often affect ecological, eco-nomic, performance, and safety aspects. Such conceptsdeserve in part more attention from the fundamental sidein order to avoid long-term misconceptions and exploit anddevelopment better the potent ial of existing materials.

• Third, EC projects should create materials concepts farbeyond conventional approaches, focussing part icularly onso far less exploited combinations of different materialclasses, property-structure integrations, and property pro-

files. In this context it is important that new materials de-velopment should be accompanied from the beginning byfundamental research since material development is now-adays an integrated and interdisciplinary task.

• Fourth, future research initiatives should give very highpriority to projects with highly interdisciplinary characterclosely integrating concepts and approaches from areassuch as materials physics, materials engineering, informa-tion technology, materials chemistry, mathematics, and/orbiology.

1.1.3. Outline and Principles of Future Research Strategy

The basic research strategy required in th is field can beclassified into two major disciplines. The first one com-prises experiments on model systems. The second one com-prises modelling and computer simulation. As far as met-als and composites are concerned the latter branch partic-ularly concent rates on macro- and mesoscale simulationissues.

Experiments on model systems should map essential in-gredients of composition, synthesis, processing, and mi-crostructure design which are not well understood but havekey functions in novel material design as well as advancedconventional materials concepts (Fig. 1.3). The followingkey points might characterize projects in this field:

• First, projects should make use of novel experimentaltools and/or advanced combinations of experimental tools

exploiting observation methods that have not yet maturedto their full potential. Examples (see section 1.1 .4) arenano-mechanical property characterization in conjunctionwith nanoscopic analytical and orientation characteriza-tion; 3D atom probe methods; high-resolution analyticalmicroscopy in conjunction with automated high-resolu-tion orientation imaging microscopy; 3D synchrotron X-ray microscopy; field ion beam microscopy in conjunctionwith high-resolution orientation imaging microscopy in

microstructure

metals for growth,ecology, and safety

processing design

propertiessynthesis

Fig. 1.3.Essential elements of advanced metals and composites research.

performance

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FEG (FEG = field emission gun) scanning electronmicroscopy; advanced neutron scattering methods; in situexperimentation combining sample observation with heat-ing or mechanical loading. C onsideration must also beplaced on fast and appropriate analysis tools which arecapable of extracting and visualizing relevant informationfrom the ever increasing experimental data sets.

• Second, projects should address fundamental long-term problems of existing structural and functional metallic mate-

rials concepts by use of model experiments which are the

basis of our economy but are not covered by applied or in-dustry research. Examples are integrated model design so-lutions exploiting materials as well as constructional as-pects; metal-metal interfaces and grain boundary triple-points in the form of well-defined model bi- and tricrystals;metal-metal joints; advanced structural-funct ional as wellas smart compounds.

• Third, projects should create experimental model systemsheading beyond conventional approaches, focussing partic-ularly on so far less investigated combinations of differentmaterial classes, microstructures, and property profiles.Examples are entangled, cellular and porous metallic mi-crostructures; nanoscale metal-polymer compounds; ultrathin layered metal-ceramic-polymer structures; nanostruc-tured functional-structu ral composites; woven metallicsystems; nanoscale integration of metals, polymers, andceramics; self organising metal-polymer interfaces; com-posite foams; and metal-semiconductor-polymer sheetcompounds.

• Fourth, design of model systems should be particularlypursued in projects with highly interdisciplinary characterclosely integrating concepts and approaches from materi-als physics, materials engineering, materials chemistry,mathematics, information technology, and/or biology. Ex-amples are the application of nanoscale materials mechan-ics tests t o large sets of material samples or graded sam-ples using variational alloy chemistry methods in conjunc-tion with nano-indentation; the design and investigationof metal-polymer interfaces with high-resolution analyti-cal experimental tools as projects between metal physics,physical chemistry, and process engineering; determina-tion of elastic and plastic response of ultra thin layeredstructures under thermal, electromagnetic, mechanicalloadings, or environmental loadings as projects betweenmetal physics, physical chemistry; process engineering;design and investigation of self organization effects in met-al-polymer and metal-ceramic interfaces as projectsbetween ceramics, metal physics, physical chemistry, andbiology; and closer cooperation between experts from the-ory and experimentat ion.

Modelling and computer simulation projects should aimat a fundamental understanding and a prediction of theperformance of novel and advanced conventional structu-ral and functional materials. The recognition of these ba-sic needs from the theoretical side, along with the ever in-creasing computing power, has established computer mod-elling approaches as one of the major areas in materialsresearch. In this approach one formulates model descrip-tions based on fundamental principles and investigatestheir properties and behaviour by numerical simulations.Modelling and computer simulation will play a key role in

understanding, tailoring, and predicting materials synthe-sis, processing, microstructures, and properties. Whilemodelling can produce realistic results for very complexsituations, underlying theories, based on results of model-ling, must be built as history-dependent and multi-scaleconcepts, integrating electronic and atomic level as wellas continuum scale information whenever relevant(Fig. 1.4). These allow generalization and deep physicalunderstanding of phenomena studied. Modelling and sim-ulation tools have in recent years matured to a state whereavailable software is increasingly well designed and main-tained and built on robust theoretical and mathematicalgrounds.

Distinct progress steps pushing this field of computersimulation forward can only be expected when the abovementioned key points are considered. This means that

Fig. 1.4. Important hierarchical scales of computer simulation methodsin the field of metals and composites research. Future developmentsmust integrate macroscopic finite element predictions, mesoscalemethods, and atomic scale simulations for the design and optimizationof new advanced products.

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• First, projects should make use of and better integratenovel tools from theory, mathematics, and information tech-nology. Examples are better exploitation of parallel algo-rithms and parallel computing power; application of dis-tributed computing based on high speed network connec-tions; development of robust and fast parallel non-linearvariational methods for tackling large quan tities of cou-pled differential equations; critical reliability investiga-tions of numerical methods and existing codes; standard-ization and sharing of computer codes and resources; clos-er integration of electronic ground state and atomic scale

calculations into cont inuum concepts; improvement of physically motivated strain gradient and crystal plasticitycontinuum theory; better integration of and comparisonwith experimental data in case of non ab initio methods;development of fast though robust simulation algorithmsfor the electronic, atomic, and continuum scale; and di-rect coupling of electronic and atomic dynamics simula-tions beyond the Born-Oppenheimer approximation. Fur-thermore, particularly large scale simulation efforts re-quire closer integration of materials and construct ional/design issues. For instance, aspects such as the overall partstiffness results from ingredients of both areas. Such projects should int roduce design-oriented database-relatedapproaches exploiting artificial intelligence methods. An-other important point of integration are joint simulationsof functional – constructional devices. Also, one shoulddraw more attention to novel information treatment meth-ods such as the neural net and fuzzy logic approaches.

• Second, simulations should aim at structure- and prop-erty predictions of model systems pertaining to existingstructural and functional metallic materials. Focus shouldbe placed on the mesoscopic and macroscopic scale.Examples are anisotropic continuum scale CPFE-basedsimulations (CPFE = crystal plasticity finite element meth-ods) of elastic-plastic co-deformation of metallic systemsas well as corresponding simulations considering metal-polymer and metal-ceramic compounds; micromechanicspredictions of polycrystalline matter under mechanicalloads; micromechanics predictions of woven and foamcomposites; joint microstructure simulations integratingcasting, thermomechanical and cold forming issues; andGL-based simulations (GL = Ginzburg – Landau – typephase field methods) of structure- and concent ration-de-pendent topological mesoscale aspects.

• Third, simulations should aim at designing and predict-ing structure- and properties of novel material concepts atthe electronic-, atomic-, meso-, and macroscale. Exam-ples are LDF-type electronic scale predictions (LDF = lo-cal density functional theory) of the influence of foreignatoms on metal-metal interfaces; MD-based simulation

(MD = molecular dynamics) of interfaces and crack tipsunder loads; CPFE-based continuum scale simulations of behaviour under elastic-plastic loads; GL-based simula-tions of metal-polymer, metal-semiconductor, and metal-ceramic compounds; mesoscale joint GL- and CPFE-based predictions of self organization kinetics at metal-polymer interfaces; micromechanics predictions for wovenand foam composites; atomic scale process design simula-tions for micro- and nanoscale compound tailoring usinghyperdynamics concepts.

• Fourth, simulation projects should be particularly pur-sued in projects with highly interdisciplinary characterclosely integrating concepts and approaches from materi-als physics, materials engineering, materials chemistry,mathematics, information technology, and/or biology. Ex-amples are the integration of electronic ground state simu-lation into continuum models as projects between physicsand materials science; integration of polymer mechanicsand metal mechanics into predictions of layered structuresas projects between materials mechanics and physicalchemistry; development of faster simulation methods andalgorithms as projects between mathematics, informationtechnology, metal physics, and chemistry; the develop-ment of parallel and distributed methods as projectsbetween mathematics, information technology, metalphysics, and chemistry; and closer cooperation betweenexperts from theory and experimentation.

1.1.4. Details of Future Research Programme

(a) IntroductionBased on the concept explained in Sect. 1.1.2 t his partgives a more detailed outline of recommendations forfuture research topics in the fields of metallic alloys andcomposites. The organization of topics in this chapterfollows in the first place the key subjects as agreed at theLudwigsburg symposium but gives suggestions with rela-tion to the above introduced organization of projects intomodel system experimentation and computer simulation.The key areas of future fundamental research in the fieldof metallic alloys and composites as agreed at the Ludwigs-burg symposium are:• Interface science and microstructure design• Thermodynamics and kinetics• Synthesis and processing• Mechanical and functional properties

(b) Interface science and microstructure designLaws of interface motion and energy often follow strongdependencies on state variables. Metal and composite

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interfaces typically have bottleneck function in materialsproperties and design. It is likely that substantial new fun-damental insights and outstanding progress in perfor-mance can be expected part icularly from metallic alloysand composites with a high density of homophase and het-erophase interfaces. Such concepts can be realized in theform of bulk systems with intricate 3D interface percola-tion, layered systems, and bamboo-type structures.

The key focus in this area is a better understanding of nu-cleation events and the role of the mechanisms of inter-

face formation as well as interface motion. Materials aregetting increasingly dominated by interfaces. Th is in-cludes metal / ceramic, metal / metal, metal / polymer etc.interfaces. Investigating such phenomena requires to fo-cus on the electronic and atomic aspects as well as onmacroscopic aspects.

Topics in this context with fundamental importance include:

1. self-organising and self-repairing surfaces andinterfaces

2. generation, structure, and properties of interfaces withfractal dimension

3. nano- and microtribology4. interface and surface systems under thermal, elasto-

plastic, electromagnetic, environmental and coupledloadings

5. surface- and strain-driven continuous anddiscontinuous subgrain coarsening

6. elastic-plastic and functional interaction acrossheterophase and homophase interfaces

7. nucleation phenomena8. mechanics at interfaces9. interfaces and surfaces turbine blade alloys under

complex loadings10. functional/structural optimization of interfaces11. interface phenomena in woven and foamed metals and

composites including corrosion12. role of interfaces in smart materials, particularly in

nanoscale filter, electronic, and catalytic matter13. interface mobility and effects of other lattice defects,

triple junction effects14. recrystallization and grain growth phenomena15. orientation and misorientation evolution at the

nano- and microscale16. grain cluster-mechanics17. micromechanics of interfaces and surfaces18. precipitation phenomena under complex loadings,

in constrained and layered systems, and in multi-component systems

19. interface design and manipulation

(c) Thermodynamics and kineticsThermodynamics and kinetics data are essential for tailor-ing and predict ing novel materials. Particularly in inter-face dominated systems thermodynamics and kinetics arenot well understood though they have key function in nov-el materials design. Topics in this context with fundamen-tal importance include:

1. thermodynamic and kinetic data of multi-componentsystems and interface-intensive systems

2. transformations under elasto-plastic and electro-

magnetic loads, effects of point and line defects oninterface transformations3. transformation in confined, low-dimensional, layered,

and small scale structures4. development, standardization, and intercalibration in

the field of experimental materials thermodynamics5. Non isothermal and reversal problems in heat treatment6. microstructures arising from competing kinetics

(d) Synthesis and processingMicrostructure design will play a critical role in the synthe-sis of novel multi-layered and small scale structured mate-rials. Key points to be addressed are the fundamentals of:

1. self-o

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