Table Of ContentSeries in Materials Science and Engineering
High-Pressure Surface Science
and Engineering
Edited by
Yury Gogotsi and Vladislav Domnich
Department of Materials Science and Engineering,
Drexel University, USA
Institute of Physics Publishing
Bristol and Philadelphia
Copyright 2004 IOP Publishing Ltd
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Copyright 2004 IOP Publishing Ltd
Contents
Preface ix
SECTION 1: PHASE TRANSITIONS INDUCED BY
MECHANICAL COMPRESSION 1
Introduction: High-pressure surface science and engineering—a new area
of research 3
Chapter 1 5
Phase transitions induced by mechanical compression
JohnJGilman
UniversityofCaliforniaatLosAngeles,USA
SECTION 2: SIMULATION OF PRESSURE-INDUCED
PHASE TRANSFORMATIONS 19
Chapter 2.1 21
Contact mechanics models accounting for phase transformations
BorisAGalanovandVitaliyMKindrachuk
NationalAcademyofSciences,Ukraine
Chapter 2.2 57
Molecular dynamics simulation of phase transformations in
monocrystalline silicon
LCZhangandWCDCheong
UniversityofSydney,Australia
Chapter 2.3 120
High-pressure phases of group IV and III–V semiconductors
GraemeJAckland
UniversityofEdinburgh,UK
v
Copyright 2004 IOP Publishing Ltd
vi Contents
SECTION 3: CONTINUUM MECHANICAL FUNDAMENTALS
OF MECHANOCHEMISTRY 159
Chapter 3 161
Continuum mechanical fundamentals of mechanochemistry
Valery I Levitas
TexasTechUniversity,USA
SECTION 4: EXPERIMENTAL TECHNIQUES IN
HIGH-PRESSURE SURFACE SCIENCE 293
Chapter 4.1 295
Depth-sensing nano-indentation
ACFischer-Cripps
CSIRO,Australia
Chapter 4.2 321
Nanomechanical characterization of ceramic materials
Bharat Bhushan1 and Xiaodong Li2
1 OhioStateUniversity,USA;2UniversityofSouthCarolina,USA
Chapter 4.3 349
Raman microspectroscopy
VladislavDomnichandYuryGogotsi
DrexelUniversity,USA
Chapter 4.4 366
Transmission electron microscopy
DaibinGeandYuryGogotsi
DrexelUniversity,USA
SECTION 5: EXPERIMENTAL STUDIES OF PHASE
TRANSFORMATIONS INDUCED BY CONTACT LOADING 379
Chapter 5.1 381
Indentation-induced phase transformations in semiconductors
VladislavDomnich,DaibinGeandYuryGogotsi
DrexelUniversity,USA
Chapter 5.2 443
Indentation-induced phase transformations in ceramics
VladislavDomnichandYuryGogotsi
DrexelUniversity,USA
Copyright 2004 IOP Publishing Ltd
Contents vii
Chapter 5.3 467
Zirconia ceramics: Phase transitions and Raman microspectroscopy
MichaelTDornandKlausGNickel
UniversityofTu¨bingen,Germany
Chapter 5.4 521
Phase transformations under dynamic loading
TJuliano,VDomnichandYGogotsi
DrexelUniversity,USA
SECTION 6: DUCTILE-REGIME MACHINING OF
SEMICONDUCTORS AND CERAMICS 541
Chapter 6 543
Ductile-regime machining of semiconductors and ceramics
JohnAPatten1,HarishCherukuri2andJiwangYan3
1 WesternMichiganUniversity,USA;
2 UniversityofNorthCarolina,USA;
3 KitamiInstituteofTechnology,Japan
Copyright 2004 IOP Publishing Ltd
Preface
This book is a next step toward shaping a new research area called ‘High-Pressure
Surface Science and Engineering’, which deals with pressure-induced phase
transformations, deformation, amorphization and other physical processes that
occur in the contact of two solids. After formulating the first ideas about this new
research area in our book chapter ‘High Pressure Surface Science’, published by
Academic Press in the Handbook of Surfaces and Interfaces of Materials, in 2001,
we have expanded this approach in depth and in breadth, as multidisciplinary
teams of material scientists, physicists and engineers have contributed their ideas
to this volume.
One of the pioneers of the area, J J Gilman, has written the introductory
first chapter on phase transitions induced by mechanical compression, which sets
the tone for the rest of the book. Theoretical work in the area is described
in section 2. The authors provide thorough reviews of the use of contact
mechanics (B A Galanov and V Kindrachuk) and molecular dynamics (L Zhang
and W C D Cheong) for analysis of pressure-induced phase transformations on
the surface of materials, as well as describing the high-pressure phases of various
semiconductors and transformation mechanisms between them (G Ackland). A
comprehensive continuum mechnical analysis of the effect of non-hydrostatic
stresses and plastic strains on various structural changes in materials is given by
V I Levitas in section 3. The experimental techniques used to study structural
changes in the surface layer and in the volume of materials are described
in section 4. Depth-sensing indentation (also called instrumented indentation
or nano-indentation) is covered in sections written by A Fischer-Cripps and
B Bhushan and X Li. Application of transmission electron microscopy and
Raman microspectroscopy to studies of phase transformations is covered in
sections written by the editors. These are the most important analytical techniques
used in high-pressure surface studies. A review of the experimental results
for ceramics and semiconductors is presented in section 5. We summarize
the results of research conducted by our and other groups on semiconductors
and some ceramics. Both nano-indentation and dynamic loading studies are
reported. M Dorn and K G Nickel describe the most studied ceramic material—
zirconia. Their new interesting experimental data have been included in this
section. Finally, section 6, written by J Patten, H Cherukuri and J Yan deals
ix
Copyright 2004 IOP Publishing Ltd
x Preface
with applications of high-pressure surface science to ductile regime machining
of semiconductors and ceramics. Thus, not only purely scientific but also
engineering issues have been addressed in this book. We were lucky to attract
many of the best minds working in the area to contribute chapters to this
book. TheinternationalteamofauthorscomingfromtheUSA,WesternEurope
(GermanyandUK),EasternEurope(Ukraine),Asia(Japan)andAustraliabrings
an internationalperspectiveandensuresthatrecentadvancesmadeby scientists
fromdifferentpartsoftheworldhavebeencovered.
Webelievethatthisbookwillbeusefulforgraduatestudentsandresearchers
workingintheareaofphasetransformations,machiningofhardmaterials,solid
statephysics,contactmechanicsandtestingandcharacterizationofceramicsand
semiconductors.
YuryGogotsiandVladislavDomnich
Philadelphia,PA,2003
Copyright 2004 IOP Publishing Ltd
Introduction: High-pressure surface science
and engineering—a new area of research
YuryGogotsi
High-pressure surface science is a new area of research that covers pressure-
induced phase transformations, deformation, amorphization and other physical
processesthatoccurinthecontactoftwosolids.
In the majority of mechanical applications of materials, their surface
experiencescontactwith anothermaterialandtakesthe externalloadbeforethe
bulkofthematerialisinfluenced.Insomecases,surfaceinteractionsinfluencethe
bulk(e.g.propagationofcracks,dislocationsorpointdefectsfromthesurfacein
depth).Inmanycases,onlytheoutermostsurfacelayerisaffectedbythesurface
contactwithnodetectablechangesinthebulkofthematerial.Thisislikeastorm
that is scary and destructive on the ocean surface but which does not have any
influenceondeep-waterlife. Weareprimarilyconcernedinthisreviewwiththat
kind of interaction. The thickness of the surface layer affected by the external
mechanical forces ranges from nanometres to micrometres. Thus, in our case,
thedefinitionof‘surface’isdifferentfromtheoneusedbysurfacescientists. We
needtointroduceanengineeringdefinitionofthesurfaceastheoutermostlayerof
thematerialthatcanbeinfluencedbyphysicaland/orchemicalinteractionwith
other surfaces and/orthe environment. In this book, we only consider physical
processes but both mechanical and chemical interactions are possible and their
synergycanleadtomechanochemicalalterationofthematerialsurface.
When we walk on the ground, our steps can compact the soil, crack
agglomerates and leave footprints. In a similar way, any hard object can
leave imprints on the material surface. In particular, when a hard indenter
(e.g. diamond) touches the surface of another hard material (ceramic or
semiconductor),veryhighpressures(uptoonemegabar)canbeachievedunder
the indenter because the contact area at the beginning of the penetration of
the indenter into material is small. These pressures can exceed the phase
transformationpressureformanymaterials. Understandingandappreciatingthis
factcan help to understandthe mechanismsof wear, frictionanderosion. High
shearstressesandflexibilityinthecontactloadingconditionsallowonetodrive
3
Copyright 2004 IOP Publishing Ltd
4 Introduction
phasetransformationsthatcannotoccurunderhydrostaticstressesorwouldoccur
atmuchhigherpressures.
We will describe the phase transformations and amorphization that occur
in many ceramics, pseudocrystals and semiconductors under contact loading
such as indentation with hard indenters or scratching, grinding, milling, etc.
Contact loading is one of the most common mechanical impacts that materials
experience during processing or application. Examples are cutting, polishing,
indentation-testing, wear, friction and erosion. This type of loading has a very
significantnon-hydrostaticcomponentofstressthatmayleadtodramaticchanges
in the materials structure, such as amorphization and phase transformation
Simultaneously, processesof plastic deformation, fractureand interactionswith
the environmentand counterbodycan occur. The latter have been described in
numerous publications but the processes of phase transformations at the sharp
contact have already been investigated during the past decade and the data
obtainedhaveneverbeensummarizedinabook. Thisproblemisattheinterface
betweenatleastthreescientific fields, namelymaterialsscience, mechanicsand
solid state physics. Thus, aninterdisciplinaryapproachwill beused todescribe
how and why a non-hydrostatic(shear) stress in two-body contact drives phase
transformationsinmaterials.
Copyright 2004 IOP Publishing Ltd
SECTION 1
PHASE TRANSITIONS INDUCED BY
MECHANICAL COMPRESSION
Copyright 2004 IOP Publishing Ltd
