SCIENCE AND TECHNOLOGYOF INTERFACES
International Symposium Honoring theContributions of Dr. Bhakta Rath
SCIENCE AND TECHNOLOGYOF INTERFACES
International Symposium Honoring theContributions of Dr. Bhakta Rath
Proceedings of a symposium sponsored bythe Physcial Metallurgy Committee,
the Titanium Committee andthe Mechanical Behavior of Materials Committee (Jt. ASM/MSCTS) of
the Structural Materials Division (SMD) ofTMS (The Minerals, Metals & Materials Society).
Held during the 2002 TMS Annual Meeting in Seattle, WashingtonFebruary 17-21,2002.
Partial funding for this publication was provided for by the Seeley W. Mudd Fund
Edited by
S. AnkemC.S. PandeI. Ovid'ko
S. Ranganathan
A Publication of
TIMS
A Publication of The Minerals, Metals & Materials Society184 Thorn Hill Road
Warrendale, Pennsylvania 15086-7528(724) 776-9000
Visit the TMS web site athttp://www.tms.org
Printed in the United States of AmericaLibrary of Congress Catalog Number 2001098194
ISBN Number 0-87339-520-4
Authorization to photocopy items for internal orpersonal use, or the internal or personal use ofspecific clients, is granted by The Minerals, Met-als & Materials Society for users registered withthe Copyright Clearance Center (CCC) Transac-tional Reporting Service, provided that the basefee of $7.00 per copy is paid directly to CopyrightClearance Center, 27 Congress Street, Salem,Massachusetts 01970. For those organizationsthat have been granted a photocopy license byCopyright Clearance Center, a separate system ofpayment has been arranged.
The Minerals, Metals & Materials Society is not responsible for statements oropinions and is absolved of liability due to misuse of information contained in thispublication.
If you are interested in purchasing a copy of this book, or if you would like toreceive the latest TMS publications catalog, please telephone1-800-759-4867 (U.S. only) or 724-776-9000, EXT. 270.
© 2002
TABLE OF CONTENTS
Preface ......................................................................................................................................... ix
Nanostructures and Materials
Challenging Some Free-Energy Reduction Criteria for Grain Growth ........................................ 3S. G. Srinivasan andJ. W. Cahn
Interfaces and Surfaces in Nanostructured Materials ................................................................. 15G. Lopez-Laurrabaquio, J.L Rodriguez-Lopez,J.M. Montejano-Carrizales andM. Jose-Yacaman
Mechanical Alloying in Nanostructured Fe-Zn Binary System.................................................. 21F. Zhou, Y.T. ChouandE.J. Lavernia
Interfaces in Zr Based Nanocrystals and Combustion Synthesized TiAluminide..................................................................................................................^ 33
O.K. Dey
Structure and Properties of Nanostructured Magnetic Films Prepared byElectroless and Sputter Depositions ........................................................................................... 45
G.M. Chow
Interface Effects
Surface Relief Effects as Evidence for Coherency of Interphase Boundaries ............................ 57H.I. Aaronson
Thermodynamics of Interfaces in Mechanically Alloyed Metals ............................................... 67H.K.D.H. Bhadeshia
Multicomponent Diffusion at Zero-Flux Planes......................................................................... 75M.E. Glicksman and A.O. Lupulescu
Effect of Irradiation-Induced Interfaces on Thin Film Stability ................................................. 87PM Ossi
Interface Diffusion, Energies and Solute Segregations in Materials:A Unified Approach.................................................................................................................... 99
D. Gupta
Mechanical Behavior
The Role of Interfaces on Mechanical Behavior of Titanium Alloys ....................................... 113B. W. Neuberger andS. Ankem
Reevaluation of the Environmental Effects at the Crack Tip-Metal Interfaces ........................ 131K. Sadananda, R.L HoltzandA.K. Vasudevan
Hot Ductility in Titanium Alloys - A Review .......................................................................... 141M.A. Imam, B.K. DamkrogerandG.R. Edwards
A New Mechanism for Superplasticity..................................................................................... 155J.C.M. Li
Crystallization Behavior of a Melt-Spun Alg6Ni9Mm5 Alloy .................................................... 171S.J. Hong, H.S. Kim, C. SuryanarayanaandB.S. Chun
Modelling of Die-Workpiece Interface During Hot Forging .................................................... 183K. Kannan, M. Pandheeradi, S.P. Vaze,S.R. SchmidandW.R.D. Wilson
Dislocation and Interfaces
Utility of the Plasmon Theory of Surface and Interfacial Energies .......................................... 197J.J. Oilman
The Nature of Interfacial Processes in Friction and Wear ........................................................ 207D. Kuhlmann-Wilsdorf
Elastic Interactions of Point Defects with Imperfect Interfaces in CoatedSemi-Infinite Solids.................................................................................................................. 219
RY.Yu
An Informatics Approach to Interface Characterization:Establishing a "Materials by Design" Paradigm....................................................................... 231
K. Raj an
Advanced Materials
Interfaces and Stresses in Nanostructured and High-Tc SuperconductingMaterials................................................................................................................................... 245
/. Ovid'ko
Grain Boundary Effects in High and Low TC Superconductors ............................................... 257C.S. Pande andR.A. Masumura
VI
Molecular Interfaces and Their Effect on Order in Liquid Crystals ......................................... 269R. Shashidhar and D. Shenoy
Interface Studies in a Quasicrystalline Al-Pd-Mn Alloy........................................................... 275R. Divakar, V.S. RaghunathanandS. Ranganathan
Semiconductors
Two-Step Epitaxy of Gallium Nitride on (0001) Sapphire....................................................... 287S. Mahajan and V. Narayanan
Epitaxial Issues and Growth Morphologies of InAlAs/InGaAs MQWs andHeterostructures on (100) and non -(100) InP Substrates......................................................... 297
A. Christou
Synthetic Functional Oxide Nanostructures: Role of Interfaces .............................................. 309R. Ramesh
Role of Silicide Interfaces in Silicon Technology .................................................................... 329P.M. d'Heurle, C. Lavoie andL. Gignac
Silicon-Germanium-Carbon Self Assembled Quantum Dot Growth andApplications in Electronic Memory Devices............................................................................ 341
D-W. Kim andS. Banerjee
Diamond Surfaces and Interfaces ............................................................................................. 353J.E. Butler
Grain Boundaries
In-Situ Determination of Grain Boundary Migration DuringRecrystallization .......0............................................................................................................... 361
D. J. Jens en, E.M. LauridsenandR.A. Vandermeer
Atomistic Aspects of Grain Boundary Fracture........................................................................ 375D. Farkas andR.N. Nogueira
Coincidence Site Lattice Theory of Triple Junctions and Quadruple Points ............................ 387V. Y. Gertsman
Interfacial Phenomena in Clean Steel Processing..................................................................... 399S. Sridhar
Author Index........................................................................_^ 411
Subject Index ............................................................................................................................ 413
VII
PREFACE
Atomic structure, composition and properties of interfaces and their effects on the performance ofpoly crystalline structural materials has been a topic of intensive study for many years. Thesestudies have contributed much of our phenomenological understanding of the behavior of inter-faces and have provided valuable guidelines to thermo-mechanical processing of engineeringmaterials for property optimization. Recent advances in materials by design in the submicrometerand nanometer scales for semi- and superconducting electronics, magnetics, biomolecular sys-tems and polymers have revealed the profound effects of interfaces on the performance of func-tional materials. Due to unprecedented advances in novel processing methods such as MBE,MOCVD, and PLD, among others, characterization tools such as STM, AFM, synchrotron spec-troscopy and atom resolved microscopy, combined with advanced first principle computationalmethods ranging from density functional to improved molecular dynamics methods, researcherscan now design novel materials and devices including heterostructures, quantum well devices andsuperlattice structures. Performance of these devices is a sensitive function of the structure andepitaxy of the interface.
The International Symposium was organized to capture the state of our knowledge on the scienceand technology of interfaces. The Symposium (in honor of Dr. B. B. Rath) was held during theTMS Annual meeting, Feb 17-21, 2002 at Seattle WA. This volume captures the salient paperspresented at the symposium.
The symposium was sponsored by the Structural Materials Division and the Electronic, Magnetic& Photonic Materials Division of TMS and the Materials Science Critical Technology Sector ofASM International and in particular by the following committees: the Physical Metallurgy Com-mittee (TMS), the Superconducting Materials Committee (TMS), the Titanium Committee (TMD)and the Mechanical Behavior of Materials Committee (TMS/ASM). The objective of this sympo-sium was to present current research on advanced interface controlled materials with primaryfocus on advanced materials. Special attention was given to design of such interface controlledmaterials with their unique and highly desirable properties. The symposium was designed toassess the current status and to identify future directions of research, design and applications ofthe role of interfaces in nanostructured bulk solids, films and coatings as well as poly crystallinesuperconducting materials. Particular emphasis was placed on developing close interactions andfostering future collaborations among scientists and engineers from the USA, Western and East-ern Europe, Russia, and other Asian countries.
The organizers of this symposium were Prof. Ankem [Committee Chairman] of University ofMaryland, College Park, Dr. Pande of NRL9 Dr. Ovid'ko of Russian Academy of Sciences andProf. Ranganathan of Indian Institute of Science.
The symposium was dedicated to Dr. Bhakta B. Rath for his pioneering research and for his lead-ership in the area of Interfaces. Many facets of his research interest in Interfaces were the subjectsof various scholarly presentations at this symposium.
IX
Dr. Bhakta B. Rath is Associate Director of Research and Head, Materials Science and Compo-nent Technology Directorate of the Naval Research Laboratory. As Head of the Directorate, he isresponsible for planning, supervision, and administration of all basic and applied research in struc-ture of matter, condensed matter physics, chemistry, electronics, materials science, plasma phys-ics, computational physics, fluid dynamics, and bimolecular science and technology. The Direc-torate manages over 240 research projects conducted by a staff in excess of 900 scientists andengineers. Dr. Rath received his BS in Physics and Mathematics in India, MS in MetallurgicalEngineering from Michigan Technological University, and Ph.D. from Illinois Institute of Tech-nology. In 1961, he j oined the faculty of Washington State University and held a tenured positionuntil 1965. Between 1965 and 1972, he was on the staff of the Edgar C. Bain Laboratory forFundamental Research of the US Steel Corporation, and from 1972 to 1976, he headed the MetalPhysics Research Section of the McDonnell Douglas Research Laboratories. He joined the NavalResearch Laboratory in 1976 as Head of the Physical Metallurgy Branch, and in 1982 beganserving as Superintendent of the Materials Science and Technology Division. He serves on theeditorial board of a number of international technical journals, and on the Board of Directors andTrustees of the American Society of Materials (ASM International), The Materials, Metals andMinerals Society (TMS), and the Federation of Materials Societies (FMS). He has been recog-nized with a number of awards and honors and was recently selected by the Board of Trustees ofASM and the Board of Directors of TMS to receive their prestigious award, the "2001 Distin-guished Lecturer in Materials and Society" and to receive the "2001 ASM Distinguished LifeMembership Award." Dr. Rath was elected to receive the 1999 "Presidential Rank Award," pre-sented by The President of the United States for sustained outstanding achievements of a seniorexecutive. Invited by the U.S. State Department, Dr. Rath has been one of the primary forces inenhancing research collaborations, developing more than 70 research projects between India andthe United States in the broad field of Physical and Materials Sciences. He serves as the ExecutiveChair for collaboration on defense science in materials and processes between U.S. Department ofDefense and the Ministries of Defense of Canada, the UK, Australia and New Zealand.
Though by no means exhaustive, the topics covered in these papers exemplify some of the mostimportant aspects of research in the properties and structure of interfaces and are sure to provide abetter understanding of this important field.
We extend our thanks to the TMS Meetings, Member Services and Publication Staff for helping inorganizing this symposium and in editing and publishing this volume. Special thanks are due tothe Book Publishing Coordinator Mr. Stephen J. Kendall for his support and to various authors forproviding us the papers in a timely fashion and helping in making this symposium a productiveand exciting one.
S. Ankem: University of Maryland, College ParkC. S. Pande: Naval Research LaboratoryI. Ovid'ko: Russian Academy of SciencesS. Ranganathan: Indian Institute of Science
AUTHOR INDEX
Aaronson, H.I., 57Ankem, S., 113
BBanerjee, S., 341Bhadeshia,H.K.D.H.,67Butler, J.E., 353
CCahn,J.W.,3Chou,Y.T.,21Chow,G.M.,45Christou,A.,297Chun,B.S., 171
Dd'Heurle,F.M.,329Damkroger, B.K., 141Dey, G.K., 33Divakar,R.,275
EEdwards, GR., 141
Farkas, D., 375
KKannan,K., 183Kirn, D-W., 341Kirn, H.S., 171Kuhlmam-Wilsdorf, D., 207
Lauridsen, E.M., 361Lavernia,E.J.,21Lavoie, C., 329Li,J.C.M., 155Lopez-Laurrabaquio, D., 15Lupulescu, A.O., 75
MMahajan, S., 287Masumura, R.A., 257Montejano-Carrizales, J.M., 15
NNarayanan,V.,287Neuberger,B.W., 113Nogueira, R.N., 375
OOssi, P.M., 87Ovid'ko,I.,245
Gertsman,V.Y.,387Gignac,L.,329Oilman, J.J., 197Glicksman, M.E., 75Gupta, D., 99
HHoltz,R.L.,131Hong, S.J., 171
Pande, C.S., 257Pandheeradi,M., 183
RRaghunathan, VS., 275Rajan,K.,231Ramesh,R.,309Ranganathan,S.,275Rodriguez-Lopez, J.L., 15
Imam, M.A., 141
Jensen,DJ., 361Jose-Yacaman, M., 15
411
Sadananda, K., 131Schmid,S.R., 183Shashidhar,R.,269Shenoy,D.,269Sridhar, S., 399Srinivasan, S.G, 3Suryanarayana, C., 171
V YVandermeer, R.A., 361 Yu,H.Y.,219Vasudevan, 131Vaze,S.R, 183 Z
Zhou,F.,21WWilson, W.R.D., 183
412
SUBJECT INDEX
Al-Ni-Mm Alloys, 171Ambient Temperature Creep, 113Amorphous Alloy, 171Avrami Equation, 361
BBicrystals, 3
Chemical Potentials, 21Chemical Vapor Deposition, 353Coalescence, 15-19
Grain Boundary, 16Shape and Structural Changes, 15,
18Coherency, 57Coincident Site Lattice (CSL), 387-398
CSL Boundaries, 388-395Collision Cascades, 87Confocal Scanning Laser Microscopy, 399Critical Currents, 257Crystallization Behavior, 171
DDeformation Mechanisms, 113Diamond Surface, 353Die-Workpiece, 183Dielectric Materials, 342-347
Nitrided Oxide, 343-346Oxynitride, 343-345Si3N4, 343-344Si02, 343-345Zr02,342,346-347
Differential Scanning Calorimetry, 171Differential Strength, 141Diffusion Waves, 75Dislocation Emission, 375Dislocation Like Models, 219, 220, 221,
223,228Ductile/Brittle Response, 375
EElastic Interactions, 219,220,228Electron Microscopy, 171Embedded Atom, 375Enthalpy of Bonding, 99
Entropy of Mixing, 335,336Environmental Effects
Corrosion Fatigue, 137-139Crack Growth, 131-139Fatigue, 131-139
Epitaxial Issues, 297Epitaxy, 287
Finite Element Analysis, 183Free Energy, 3Friction and Wear, 207
GoldNanoparticles, 16,18,19Grain Boundaries, 257,387-398
Grain-Boundary Dislocations, 346-348
Grain-Boundary Engineering, 392Grain-Boundary Statistics, 395
Grain Boundary, 375Grain Boundary Energy, 99Grain Boundary Fluid, 155Grain Boundary Sliding, 155Grain Growth, 3Grain Size Effects, 113Group Ill-Nitrides, 287Growth Morphologies, 297Growth Parameters, 297Growth Rate Distribution, 361
HHardness, 171Heisenberg Theorem, 197High Energy X-Ray, 361High-Tc Superconductivity
Critical Current, 251 -254Grain Boundaries, 245,251
Hot Ductility Dip, 141Hot Forging, 183HREM, 34-41
Imperfect Interfaces, 219,220,221Interatomic Potentials, 375Interfacial Processes, 207Interfacial Structure, 57
413
Interface Coherency, 67Interface Diffusion, 99Interface Energies, 197Interfaces, 34-43
Characterization, 234-236Crystallography, 231 -233Grain Boundary Engineering, 241
Interphase Fluid, 155Invariant Plane Strain, 57Iron
Cast IronFatigue, 138-139
Irradiation-Induced Interface, 87
KKinetics, 361Kinetics of Diffusion, 75
Lattice Incompatibility, 14Liquid Crystal Alignment, 269Liquid Crystal Displays, 269Liquid Crystals, 269
MMechanical Alloying, 21,67Microstructure, 33Modeling, 183Molecular Dynamics, 15,16,19Molecular Dynamics Simulations, 3Molecular Interface, 269Multicomponent Diffusion, 75
NNanocomposite, 171Nanocrystals, 34-38Nanostructured Films
Anamalous X-Ray Scattering, 49EXAFS,48,53Magnetic Properties, 45X-Ray Scattering, 48
Nanostructured Materials, 16Nanostructured System, 21Nanostructures
Deformation, 245,249-251Grain Boundaries, 245-251Nanocrystalline Films, 245-249
Nematic Liquid Crystals, 269Nucleation, 333-337
Particulatc Solutions, 67Plasmon Energy, 197Plasmons, 197Point Defects, 219-229Primary Crystallization, 171
Quadruple Points, 387,388,391,392Quantum Dot
Ge Quantum Dot, 344-345Growth, 344-345Image, 343
SiGe Quantum Dot, 346-348Concentration of Ge, 346Growth, 346
SiGeC Quantum Dot, 347-349Doping Effect, 349XRD Rocking Curve, 349-
350Quantum Dot Flash Memory Device
High Frequency CV, 346-347SiO2 Metal Insulator Semiconductor,
346-347ZrO2 Metal Insulator Semiconduc-
tor, 346-347RRecrystallization, 361Rule-of-Mixtures Model, 171
Segregation-Charge Transfer, 87Self Assembling Monolayer, 269Silicides
CoSi2, 334-336NiSi, 337, 338TiSi2, 332, 333, 337
Slag/Steel Interface, 399Slip Planarity, 141Soft Interfaces, 269Solute Partitioning, 141Solute Segregations, 99Stability of Beta Phase, 113Statistics
ClusteringFuzzy Clustering, 237Hough Transform, 233,234Principal Component Analy-
sis, 240Informatics, 231 -240
414
Steel, 399Low Alloy Steel
Corrosion Fatigue, 138Crack Growth, 137Fatigue, 137Hydrogen Effect, 138
Stress Effects, 21Surface Energy, 197Surface Film, 207Surface Modification, 353Surface Relief, 57Surface Roughness, 297Superalloys, 183Superconductors, 257Superplasticity, 155
TTextures
Electron Back Scattered Diffraction(EBSD), 233
Rodriguez-Frank Space, 234-238
Thermodynamics, 67Threading Dislocations and Their Reduc-tion, 287TiAl, 34-38Titanium Alloy(s), 113,141Tribology,207Triple Junctions, 387-398
Triple-Junction Dislocations, 397-398
Triple-Junction Statistics, 395Twinning, 113
WWork Function, 330-332
X-Ray Diffraction, 171X-Ray Imaging, 399
Zero-Flux Planes, 75
415