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

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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