Mineral behaviour at extreme conditions: university texbook
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| Format: | Book |
| Language: | English |
| Published: |
Budapest
Eötvös Univ. Press
2005
|
| Series: | EMU notes in mineralogy
7 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XIV, 488 S. Ill., graph. Darst. |
| ISBN: | 9634638376 |
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| 245 | 1 | 0 | |a Mineral behaviour at extreme conditions |b university texbook |c ed. by Ronald Miletich |
| 264 | 1 | |a Budapest |b Eötvös Univ. Press |c 2005 | |
| 300 | |a XIV, 488 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 1 | |a EMU notes in mineralogy |v 7 | |
| 650 | 4 | |a High pressure (Science) | |
| 650 | 4 | |a Materials at high pressures | |
| 650 | 4 | |a Materials at high temperatures | |
| 650 | 4 | |a Mineralogy | |
| 700 | 1 | |a Miletich, Ronald |4 edt | |
| 830 | 0 | |a EMU notes in mineralogy |v 7 |w (DE-604)BV014391074 |9 7 | |
| 856 | 4 | 2 | |m HEBIS Datenaustausch |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=015017581&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-015017581 | ||
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| _version_ | 1804135722670620672 |
|---|---|
| adam_text | Contents
Chapter 1 Introduction to minerals under extreme conditions
by Hans KEPPLER and Daniel J FROST 1
1 Introduction 1
2 Experimental methods 1
2 1 Overview 5
2 2 Piston-cylinder apparatus 8
2 3 Multi-anvil devices 10
231 The 6/8 multi-anvil 10
232 Octahedral high-pressure assemblies 11
233 Pressure calibration 14
234 Variations on multi-anvil designs and specific applications 17
The 5000 tonne 618 device 17
T-cup press 17
Use of diamond cubes 17
235 The DIA cubic anvil device 18
The deformation DIA (d-DIA) 18
2 4 Diamond anvil cells 21
241 Types of diamond anvil cells 21
242 In situ measurements in the diamond anvil cell 23
3 Phenomena under extreme pressures and temperatures 23
3 1 Structural changes in minerals 23
3 2 Changes in chemical bonding 25
3 3 Structure and properties of silicate melts and fluids 26
4 Concluding remarks 26
References 27
Chapter 2 Mineral structures, defects and their evolution
with pressure and temperature
by Ronald MILETICH and Thomas MALCHEREK 31
1 Mineral structures: from macroscopic to microscopic scale 31
2 Description of atomic structures 32
2 1 Chemical bonding 32
211 Electronic structure and orbitals 32
212 Ionisation energies and electronegativity 33
213 Bonding through electron pair formation - covalent bonding 34
214 Bonding through electrostatic interaction 35
2 2 Coordination: atomic short range environment 36
221 Coordination numbers and coordination figures 36
222 Atomic and ionic radii 36
223 Pauling’s bond valence concept: a construction guide for ionic crystals 37
2 3 Packing: atomic long-range order 38
2 4 Aspect of symmetry 39
241 Symmetry operations 40
242 Periodicity and lattices 41
243 Point group and space group symmetries 42
2 5 Example for crystal structure description: olivine 42
251 Atomic packing 42
252 Coordination 43
253 Polyhedral connectivity 43
VII
2 6 Chemical variations and cation ordering 44
2 7 Modulation and high-dimensional periodicity 44
271 Metric considerations and superspace symmetry 44
272 Structural origin of modulation in mineral structures 45
2 8 Lattice imperfections 45
281 Generation of point defects 45
3 The effects of temperature 46
3 1 Atomic probability distribution and thermal displacement parameters 46
3 2 Lattice vibrations and thermal expansion 47
3 3 Bond libration and rigid-body motion 48
4 The effects of pressure 50
4 1 Phenomena at high pressure 50
411 Changes in electronic states, hybridisation and bonding 50
412 Magnetic states and superconductivity 51
413 Continuous volume reduction 52
414 High-pressure phase transitions 54
415 Pressure-induced amorphisation 54
4 2 Compression mechanisms 56
421 Void reduction in rigid-unit frameworks 56
422 Relative atomic compressibilities 57
4 3 Worked example: thenardite-type Cd2Si04 58
431 High-pressure single-crystal structures of Cd2Si04 58
Acknowledgements 60
References 60
Chapter 3 Silicate melts at extreme conditions
by Sharon L WEBB 65
1 Introduction 65
2 Structure and composition 66
2 1 Measures of melt structure 68
2 2 Viscosity and configurational entropy 69
2 3 Silica-poor melts 74
3 Time 75
3 1 Compressibility and wave speeds 78
3 2 Heat capacity 81
3 3 Viscosity 82
3 4 Density 84
3 5 Bubbles and crystals 85
4 Temperature 86
5 Pressure 86
5 1 Density 86
5 2 Viscosity 88
6 Conclusion 89
References 89
Chapter 4 Elastic and piezoelectric properties of minerals I
Principles and experimental approaches
by Jürgen SCHREUER and Siegfried HAUSSÜHL 95
1 Introduction 95
2 Definitions 96
2 1 General aspects 96
2 2 Special cases 98
VIII
3 Experimental methods 101
3 1 Measurement of piezoelectric constants 101
3 2 Measurement of elastic constants 103
321 Propagation of elastic plane waves in crystals 106
322 Plate-mode techniques 107
323 Resonant ultrasound spectroscopy 108
4 Summary 114
References 114
Chapter 5 Basics of first-principles simulation of matter
under extreme conditions
by Daniel Y JUNG and Artem R OGANOV 117
1 Introduction 117
2 Theory 117
2 1 General aspects 117
2 2 Hartree method 119
2 3 Hartree-Fock method 120
2 4 Density functional theory 120
241 Exchange-correlation hole 121
242 Local density approximation (LDA) 122
243 Generalised gradient approximation (GGA) 123
3 Technical aspects 125
3 1 Brillouin zone sampling 125
3 2 Basis sets 126
3 3 Pseudopotentials 126
3 4 Projector augmented wave (PAW) method 127
4 Methods including temperature effects 128
4 1 Quasiharmonic approximation (QHA) and density-functional
perturbation theory (DFPT) 128
4 2 Molecular dynamics (MD) 131
4 3 Metadynamics 132
4 4 Monte Carlo (MC) simulations 134
441 General Monte Carlo simulations 134
442 Metropolis algorithm 134
5 Conclusion 136
References 136
Chapter 6 Displacive phase transitions
by Thomas MALCHEREK 139
1 Introduction 139
2 Static and dynamic aspects of displacive phase transitions 139
3 Structural distortions 142
4 The order parameter 144
4 1 Displacive vs order-disorder phase transitions 145
4 2 Zone centre and zone boundary transitions 145
4 3 Spontaneous strain 146
5 Phenomenological theories 148
5 1 Landau theory and the order parameter susceptibility 149
5 2 Order parameter coupling: proper, improper, pseudo-proper 150
521 Linear-quadratic coupling (improper) 152
522 Bilinear coupling (pseudo-proper) 153
523A worked example, part I 155
IX
5 3 Discontinuous phase transitions 156
531 Tricritical points 157
532A worked example, part II 159
5 4 Mean-field theory 162
5 5 Critical exponents and the Ginzburg interval 163
6 Microscopic models 164
7 Pressure-induced phase transitions 165
8 First-principles computational modelling 167
9 Conclusion 168
Acknowledgement 169
References 169
Chapter 7 Elastic and piezoelectric properties of minerals II
Structure-property relationships
by Jürgen SCHREUER and Siegfried HAUSSÜHL 173
1 Introduction 173
2 Elastic constants 176
2 1 Overall elastic behaviour and stability 177
2 2 Anisotropy of the longitudinal elastic stiffness 179
2 3 Deviations from Cauchy relations 181
2 4 Quasi-additivity rule of elastic S-values 183
3 Thermoelastic constants 189
3 1 Experimental results 191
3 2 Examples 192
4 Piezoelastic constants 193
5 Anomalous elastic properties and phase transitions 195
6 Summary 197
References 197
Chapter 8 Mineral surfaces - Part I: Surface-sensitive techniques
by SLS STIPP 199
Introduction 199
Overview of analytical techniques 200
Microscopy 201
Spectroscopy 202
Diffraction 203
Summary 204
Surface and surface-sensitive analytical techniques 204
Atomic force microscopy (AFM) 204
Time-of-flight secondary ion mass spectroscopy (TOF-SIMS) 208
X-ray photoelectron spectroscopy (XPS) 210
Low-energy electron diffraction (LEED) 212
Conclusion 214
Acknowledgements 214
References 214
Chapter 9 Diamonds as optical windows to extreme conditions
by Reinhard BOEHLER 217
The laser-heated diamond cell 217
Diamond anvils 217
Pressure-transmitting medium 218
Pressure measurement 219
Laser heating 220
X
Temperature measurement 221
Some applications 223
Example 223
References 224
Chapter 10 Fluid-mineral interaction at high pressure
by Hans KEPPLER and Andreas AUDETAT 225
1 Introduction: Fluids in the Earth’s interior 225
2 Properties of aqueous fluids 226
2 1 Water - the unique fluid 226
2 2 Aqueous fluid mixtures 228
3 Mineral solubilities 229
3 1 Introduction 229
3 2 Experimental methods 231
321 Weight-loss technique 231
322 Diamond-trap technique 231
323 Synthetic fluid inclusions 233
324 Hydrothermal diamond anvil cell 234
3 3 Quartz solubility 235
3 4 Rutile solubility 237
4 Critical phenomena in water-silicate systems 238
4 1 Basic phase equilibria in water-silicate systems 238
4 2 Properties of supercritical fluids 241
421 Viscosity 241
422 Wetting angle 242
5 Trace element partitioning between aqueous fluids and minerals 243
5 1 Experimental methods 243
52A critical summary of partitioning data 244
6 Solubility of volatiles in minerals 245
6 1 Water solubility in minerals 245
6 2 Carbon dioxide solubility in minerals 247
7 Concluding remarks 248
References 248
Chapter 11 Mineral surfaces - Part II: Structure and reactivity
by SLS STIPP 253
Introduction 253
Relaxation at the termination of the bulk crystal structure 254
Hydration and hydrolysis 256
Surface complexation 257
Adsorption and desorption 258
Dynamic equilibrium, dissolution and precipitation 263
Diffusion 265
Conclusion 269
Acknowledgements 271
References 271
Chapter 12 Laser heating at megabar pressures:
Melting temperatures of iron and other transition metals
by Reinhard BOEHLER 273
Diamond cell melting experiments 274
Melting temperatures, high pressure phases of iron and the temperature in the core 275
XI
What is the structure of solid iron in the inner core? 277
Shock melting of iron 278
References 279
Chapter 13 Diffraction techniques: Shedding light on structural changes
at extreme conditions
by Ronald MILETICH 281
1 Introduction 281
2 Theory and techniques of diffraction 282
2 1 Fundamentals of diffraction 282
211 Interference by a lattice 282
212 Bragg equation 285
213 Reciprocal lattice and Ewald construction 285
214 Diffraction techniques 287
2 2 The structure factor: key to an atom’s position 288
221 Scattering amplitude and atomic form factor 288
222 Structure factor 290
2 3 Scattering physics of X-rays, neutrons and electrons 291
231 X-ray scattering 291
232 Neutron scattering 292
233 Electron scattering 293
2 4 Instruments for diffractometry 294
241 X-ray sources 294
242 Beam optics 294
243 Goniometer 297
244 Detectors 297
2 5 Measuring intensities and determination of lattice parameters 299
251 High-precision determination of peak positions 299
252 Measurement and evaluation of scattered intensities 300
3 Diffraction techniques at high and low temperatures 301
3 1 Towards the upper limit: high-temperature structure investigations 302
311 Requirements for high-T experiments 302
312 Furnaces and high-T diffraction devices 303
3 2 On the lower limit: cryo-crystallography 304
321 Cryostats for diffractometers 304
4 High-pressure crystallography 305
4 1 Diffraction with large-volume presses 305
411 Angle dispersive versus energy dispersive 306
412 Adaptation of multi-anvil devices for XRD 307
413 The Paris-Edinburgh cell 309
4 2 Adaptation of the diamond-anvil cell for diffraction experiments 310
421 Diamond anvils for diffraction 310
422 Backing plates and diamond support 312
423 The asymmetric DAC approach 313
4 3 Powder diffraction to megabar pressures 315
431 Diffraction conditions and instrumentation 315
432 Specifications of polycrystalline powder samples 316
433 Obtaining and evaluating images 318
434 Example of data analysis: behoite, Be(OH)2, at high pressures 320
4 4 Single-crystal diffraction with the DAC 321
441 Diffraction conditions with DAC 321
442 Reciprocal-space imaging 325
XII
443 Determination of correct structures: the example of Te-III 327
444 Precision of structure determination: the example of Cr2Si04 328
Acknowledgements 330
Appendix: Abbrevations 330
References 331
Chapter 14 Plastic deformation of minerals at high pressure:
Experimental techniques
by Patrick CORDIER, Helene COUVY, Sebastien MERKEL
and Donald WEIDNER 339
Introduction 339
Instruments 339
To ca 5 GPa 339
To ca 15 GPa 340
To ca 25 GPa 341
Above 25 GPa 342
Measuring strain and stress in situ at high pressure 344
Measurement of strain 344
Lattice strain and stress 345
Lattice preferred orientations 350
Deformation mechanisms 351
Conclusions 352
References 352
Chapter 15 Shock experiments on minerals: Basic physics and techniques
by FALKO LANGENHORST and ULRICH HORNEMANN 357
Introduction 357
Shock physics 358
Shock wave concept 358
Hugoniot equations (conservation laws) 359
Hugoniot curves and shock wave structure 363
Transmission and reflection of shock waves at interfaces 365
The free-surface approximation or velocity doubling rule 367
Temperature behind a shock wave 368
Experimental techniques 369
Shock generating systems 369
Air gun accelerator 370
Two-stage light gas gun 371
High-explosive devices 372
Electric discharge gun 373
Laser irradiation 373
Container systems for sample recovery 374
Speed recording systems 375
Techniques for the measurement of shock wave velocity 376
Techniques for the measurement of particle velocity 377
Techniques for direct determination of density and pressure 379
Techniques for the measurement of temperatures 380
Shock wave data and shock metamorphism of minerals 380
Experimental shock metamorphism of minerals 380
Shock wave data on plastic yielding and phase transformations of minerals 382
Acknowledgments 384
References 384
XIII
Chapter 16 Plastic deformation of minerals at high pressure:
Multiscale numerical modelling
by Patrick CORDIER, Fabrice BARBE, Julien DURINCK,
Andrea TOMMASI and Andrew M WALKER 389
Introduction 389
From the atoms to the Earth’s mantle 389
Atomic scale: From atoms to individual defects 390
Generalised stacking faults and plastic shear anisotropy 391
Dislocation modelling 393
Mesoscopic scale: Describing dislocation dynamics 399
Discretisation of space 399
Dislocation mobilities 400
Boundary conditions 401
Application to olivine 401
From single crystals to polycrystals 403
Polycrystal plasticity modelling and strain-induced crystal preferred orientations 403
Modelling polycrystal plasticity by finite elements 406
Effective properties at the macroscopic scale 408
Scale of the mean behaviour of the grains 409
Intragranular scale 410
Case of a two-phase aggregate 411
Concluding remarks 412
References 413
Chapter 17 Viscoelasticity of the Earth’s mantle
by Sharon L WEBB 417
1 Introduction 417
2 Viscoelasticity 421
3 Rheology of the mantle 423
3 1 The upper mantle 424
3 2 Seismic attenuation in the upper mantle (200-400 km) and the Maxwell model
of viscous deformation 424
3 3 Diffusional and dislocation creep in minerals 426
3 4 Viscosity and diffusivity 428
3 5 Mantle convection, isostatic rebound, seismic attenuation and grain size 428
3 6 Anelasticity in polycrystalline materials 430
4 Discussion 432
5 Conclusion 435
5 1 Diffusivity of Si in pyroxene and garnet 436
References 437
Chapter 18 Theory of minerals at extreme conditions:
Predictability of structures and properties
by Donat J ADAMS and Artem R OGANOV 441
1 Introduction 441
2 MgSi03 perovskite and post-perovskite 442
2 1 Symmetry of the structure and electrical conductivity 442
2 2 Decomposition 443
2 3 Elastic constants 445
2 4 Temperature distribution within the Earth’s mantle 445
2 5 MgSi03 post-perovskite 447
2 6 Fe impurities and future work 449
XIV
3 (Mg,Fe)0 magnesiowüstite 450
3 1 Phase diagram 450
3 2 Cauchy relations 450
4 CaSi03 perovskite 451
4 1 Symmetry 451
4 2 Electrical conductivity 452
4 3 Decomposition 452
5 Conclusions 453
Acknowledgements 454
References 454
Name index 459
Subject index 467
Conventions, recommendations and standards
used in this volume
Spelling: British English
Mineral names: Recommendations of the IMA CNMMN
Symbols (abbreviations) for rock-forming minerals: In accordance with the Appendix
of The nomenclature of minerals: A compilation of IMA reports’, edited by R F Martin;
Ottawa: Mineral Assoc Can , 1998
Crystallographic symbols: In accordance with the International tables of crystallography,
Volume A, Space-group symmetry’, edited by Th Hahn; fourth, revised edition; Dordrecht:
Kluwer; 1995
Transcription of Cyrillic characters: British Standard 2979:1958
Notes on the usage of the References lists
Multiple references to an author are listed in the following order: (1) publications of the
author alone, in chronological order, (2) publications of the author with a single co-
author, in alphabetical order of the co-authors’, (3) publications of an author with more
than one co-author in chronological order Different authors with the same surname are
not considered separately
Journal names are abbreviated according to the ISDS standards (with a few exceptions in
|
| adam_txt |
Contents
Chapter 1 Introduction to minerals under extreme conditions
by Hans KEPPLER and Daniel J FROST 1
1 Introduction 1
2 Experimental methods 1
2 1 Overview 5
2 2 Piston-cylinder apparatus 8
2 3 Multi-anvil devices 10
231 The 6/8 multi-anvil 10
232 Octahedral high-pressure assemblies 11
233 Pressure calibration 14
234 Variations on multi-anvil designs and specific applications 17
The 5000 tonne 618 device 17
T-cup press 17
Use of diamond cubes 17
235 The DIA cubic anvil device 18
The deformation DIA (d-DIA) 18
2 4 Diamond anvil cells 21
241 Types of diamond anvil cells 21
242 In situ measurements in the diamond anvil cell 23
3 Phenomena under extreme pressures and temperatures 23
3 1 Structural changes in minerals 23
3 2 Changes in chemical bonding 25
3 3 Structure and properties of silicate melts and fluids 26
4 Concluding remarks 26
References 27
Chapter 2 Mineral structures, defects and their evolution
with pressure and temperature
by Ronald MILETICH and Thomas MALCHEREK 31
1 Mineral structures: from macroscopic to microscopic scale 31
2 Description of atomic structures 32
2 1 Chemical bonding 32
211 Electronic structure and orbitals 32
212 Ionisation energies and electronegativity 33
213 Bonding through electron pair formation - covalent bonding 34
214 Bonding through electrostatic interaction 35
2 2 Coordination: atomic short range environment 36
221 Coordination numbers and coordination figures 36
222 Atomic and ionic radii 36
223 Pauling’s bond valence concept: a construction guide for ionic crystals 37
2 3 Packing: atomic long-range order 38
2 4 Aspect of symmetry 39
241 Symmetry operations 40
242 Periodicity and lattices 41
243 Point group and space group symmetries 42
2 5 Example for crystal structure description: olivine 42
251 Atomic packing 42
252 Coordination 43
253 Polyhedral connectivity 43
VII
2 6 Chemical variations and cation ordering 44
2 7 Modulation and high-dimensional periodicity 44
271 Metric considerations and superspace symmetry 44
272 Structural origin of modulation in mineral structures 45
2 8 Lattice imperfections 45
281 Generation of point defects 45
3 The effects of temperature 46
3 1 Atomic probability distribution and thermal displacement parameters 46
3 2 Lattice vibrations and thermal expansion 47
3 3 Bond libration and rigid-body motion 48
4 The effects of pressure 50
4 1 Phenomena at high pressure 50
411 Changes in electronic states, hybridisation and bonding 50
412 Magnetic states and superconductivity 51
413 Continuous volume reduction 52
414 High-pressure phase transitions 54
415 Pressure-induced amorphisation 54
4 2 Compression mechanisms 56
421 Void reduction in rigid-unit frameworks 56
422 Relative atomic compressibilities 57
4 3 Worked example: thenardite-type Cd2Si04 58
431 High-pressure single-crystal structures of Cd2Si04 58
Acknowledgements 60
References 60
Chapter 3 Silicate melts at extreme conditions
by Sharon L WEBB 65
1 Introduction 65
2 Structure and composition 66
2 1 Measures of melt structure 68
2 2 Viscosity and configurational entropy 69
2 3 Silica-poor melts 74
3 Time 75
3 1 Compressibility and wave speeds 78
3 2 Heat capacity 81
3 3 Viscosity 82
3 4 Density 84
3 5 Bubbles and crystals 85
4 Temperature 86
5 Pressure 86
5 1 Density 86
5 2 Viscosity 88
6 Conclusion 89
References 89
Chapter 4 Elastic and piezoelectric properties of minerals I
Principles and experimental approaches
by Jürgen SCHREUER and Siegfried HAUSSÜHL 95
1 Introduction 95
2 Definitions 96
2 1 General aspects 96
2 2 Special cases 98
VIII
3 Experimental methods 101
3 1 Measurement of piezoelectric constants 101
3 2 Measurement of elastic constants 103
321 Propagation of elastic plane waves in crystals 106
322 Plate-mode techniques 107
323 Resonant ultrasound spectroscopy 108
4 Summary 114
References 114
Chapter 5 Basics of first-principles simulation of matter
under extreme conditions
by Daniel Y JUNG and Artem R OGANOV 117
1 Introduction 117
2 Theory 117
2 1 General aspects 117
2 2 Hartree method 119
2 3 Hartree-Fock method 120
2 4 Density functional theory 120
241 Exchange-correlation hole 121
242 Local density approximation (LDA) 122
243 Generalised gradient approximation (GGA) 123
3 Technical aspects 125
3 1 Brillouin zone sampling 125
3 2 Basis sets 126
3 3 Pseudopotentials 126
3 4 Projector augmented wave (PAW) method 127
4 Methods including temperature effects 128
4 1 Quasiharmonic approximation (QHA) and density-functional
perturbation theory (DFPT) 128
4 2 Molecular dynamics (MD) 131
4 3 Metadynamics 132
4 4 Monte Carlo (MC) simulations 134
441 General Monte Carlo simulations 134
442 Metropolis algorithm 134
5 Conclusion 136
References 136
Chapter 6 Displacive phase transitions
by Thomas MALCHEREK 139
1 Introduction 139
2 Static and dynamic aspects of displacive phase transitions 139
3 Structural distortions 142
4 The order parameter 144
4 1 Displacive vs order-disorder phase transitions 145
4 2 Zone centre and zone boundary transitions 145
4 3 Spontaneous strain 146
5 Phenomenological theories 148
5 1 Landau theory and the order parameter susceptibility 149
5 2 Order parameter coupling: proper, improper, pseudo-proper 150
521 Linear-quadratic coupling (improper) 152
522 Bilinear coupling (pseudo-proper) 153
523A worked example, part I 155
IX
5 3 Discontinuous phase transitions 156
531 Tricritical points 157
532A worked example, part II 159
5 4 Mean-field theory 162
5 5 Critical exponents and the Ginzburg interval 163
6 Microscopic models 164
7 Pressure-induced phase transitions 165
8 First-principles computational modelling 167
9 Conclusion 168
Acknowledgement 169
References 169
Chapter 7 Elastic and piezoelectric properties of minerals II
Structure-property relationships
by Jürgen SCHREUER and Siegfried HAUSSÜHL 173
1 Introduction 173
2 Elastic constants 176
2 1 Overall elastic behaviour and stability 177
2 2 Anisotropy of the longitudinal elastic stiffness 179
2 3 Deviations from Cauchy relations 181
2 4 Quasi-additivity rule of elastic S-values 183
3 Thermoelastic constants 189
3 1 Experimental results 191
3 2 Examples 192
4 Piezoelastic constants 193
5 Anomalous elastic properties and phase transitions 195
6 Summary 197
References 197
Chapter 8 Mineral surfaces - Part I: Surface-sensitive techniques
by SLS STIPP 199
Introduction 199
Overview of analytical techniques 200
Microscopy 201
Spectroscopy 202
Diffraction 203
Summary 204
Surface and surface-sensitive analytical techniques 204
Atomic force microscopy (AFM) 204
Time-of-flight secondary ion mass spectroscopy (TOF-SIMS) 208
X-ray photoelectron spectroscopy (XPS) 210
Low-energy electron diffraction (LEED) 212
Conclusion 214
Acknowledgements 214
References 214
Chapter 9 Diamonds as optical windows to extreme conditions
by Reinhard BOEHLER 217
The laser-heated diamond cell 217
Diamond anvils 217
Pressure-transmitting medium 218
Pressure measurement 219
Laser heating 220
X
Temperature measurement 221
Some applications 223
Example 223
References 224
Chapter 10 Fluid-mineral interaction at high pressure
by Hans KEPPLER and Andreas AUDETAT 225
1 Introduction: Fluids in the Earth’s interior 225
2 Properties of aqueous fluids 226
2 1 Water - the unique fluid 226
2 2 Aqueous fluid mixtures 228
3 Mineral solubilities 229
3 1 Introduction 229
3 2 Experimental methods 231
321 Weight-loss technique 231
322 Diamond-trap technique 231
323 Synthetic fluid inclusions 233
324 Hydrothermal diamond anvil cell 234
3 3 Quartz solubility 235
3 4 Rutile solubility 237
4 Critical phenomena in water-silicate systems 238
4 1 Basic phase equilibria in water-silicate systems 238
4 2 Properties of supercritical fluids 241
421 Viscosity 241
422 Wetting angle 242
5 Trace element partitioning between aqueous fluids and minerals 243
5 1 Experimental methods 243
52A critical summary of partitioning data 244
6 Solubility of volatiles in minerals 245
6 1 Water solubility in minerals 245
6 2 Carbon dioxide solubility in minerals 247
7 Concluding remarks 248
References 248
Chapter 11 Mineral surfaces - Part II: Structure and reactivity
by SLS STIPP 253
Introduction 253
Relaxation at the termination of the bulk crystal structure 254
Hydration and hydrolysis 256
Surface complexation 257
Adsorption and desorption 258
Dynamic equilibrium, dissolution and precipitation 263
Diffusion 265
Conclusion 269
Acknowledgements 271
References 271
Chapter 12 Laser heating at megabar pressures:
Melting temperatures of iron and other transition metals
by Reinhard BOEHLER 273
Diamond cell melting experiments 274
Melting temperatures, high pressure phases of iron and the temperature in the core 275
XI
What is the structure of solid iron in the inner core? 277
Shock melting of iron 278
References 279
Chapter 13 Diffraction techniques: Shedding light on structural changes
at extreme conditions
by Ronald MILETICH 281
1 Introduction 281
2 Theory and techniques of diffraction 282
2 1 Fundamentals of diffraction 282
211 Interference by a lattice 282
212 Bragg equation 285
213 Reciprocal lattice and Ewald construction 285
214 Diffraction techniques 287
2 2 The structure factor: key to an atom’s position 288
221 Scattering amplitude and atomic form factor 288
222 Structure factor 290
2 3 Scattering physics of X-rays, neutrons and electrons 291
231 X-ray scattering 291
232 Neutron scattering 292
233 Electron scattering 293
2 4 Instruments for diffractometry 294
241 X-ray sources 294
242 Beam optics 294
243 Goniometer 297
244 Detectors 297
2 5 Measuring intensities and determination of lattice parameters 299
251 High-precision determination of peak positions 299
252 Measurement and evaluation of scattered intensities 300
3 Diffraction techniques at high and low temperatures 301
3 1 Towards the upper limit: high-temperature structure investigations 302
311 Requirements for high-T experiments 302
312 Furnaces and high-T diffraction devices 303
3 2 On the lower limit: cryo-crystallography 304
321 Cryostats for diffractometers 304
4 High-pressure crystallography 305
4 1 Diffraction with large-volume presses 305
411 Angle dispersive versus energy dispersive 306
412 Adaptation of multi-anvil devices for XRD 307
413 The Paris-Edinburgh cell 309
4 2 Adaptation of the diamond-anvil cell for diffraction experiments 310
421 Diamond anvils for diffraction 310
422 Backing plates and diamond support 312
423 The asymmetric DAC approach 313
4 3 Powder diffraction to megabar pressures 315
431 Diffraction conditions and instrumentation 315
432 Specifications of polycrystalline powder samples 316
433 Obtaining and evaluating images 318
434 Example of data analysis: behoite, Be(OH)2, at high pressures 320
4 4 Single-crystal diffraction with the DAC 321
441 Diffraction conditions with DAC 321
442 Reciprocal-space imaging 325
XII
443 Determination of correct structures: the example of Te-III 327
444 Precision of structure determination: the example of Cr2Si04 328
Acknowledgements 330
Appendix: Abbrevations 330
References 331
Chapter 14 Plastic deformation of minerals at high pressure:
Experimental techniques
by Patrick CORDIER, Helene COUVY, Sebastien MERKEL
and Donald WEIDNER 339
Introduction 339
Instruments 339
To ca 5 GPa 339
To ca 15 GPa 340
To ca 25 GPa 341
Above 25 GPa 342
Measuring strain and stress in situ at high pressure 344
Measurement of strain 344
Lattice strain and stress 345
Lattice preferred orientations 350
Deformation mechanisms 351
Conclusions 352
References 352
Chapter 15 Shock experiments on minerals: Basic physics and techniques
by FALKO LANGENHORST and ULRICH HORNEMANN 357
Introduction 357
Shock physics 358
Shock wave concept 358
Hugoniot equations (conservation laws) 359
Hugoniot curves and shock wave structure 363
Transmission and reflection of shock waves at interfaces 365
The free-surface approximation or velocity doubling rule 367
Temperature behind a shock wave 368
Experimental techniques 369
Shock generating systems 369
Air gun accelerator 370
Two-stage light gas gun 371
High-explosive devices 372
Electric discharge gun 373
Laser irradiation 373
Container systems for sample recovery 374
Speed recording systems 375
Techniques for the measurement of shock wave velocity 376
Techniques for the measurement of particle velocity 377
Techniques for direct determination of density and pressure 379
Techniques for the measurement of temperatures 380
Shock wave data and shock metamorphism of minerals 380
Experimental shock metamorphism of minerals 380
Shock wave data on plastic yielding and phase transformations of minerals 382
Acknowledgments 384
References 384
XIII
Chapter 16 Plastic deformation of minerals at high pressure:
Multiscale numerical modelling
by Patrick CORDIER, Fabrice BARBE, Julien DURINCK,
Andrea TOMMASI and Andrew M WALKER 389
Introduction 389
From the atoms to the Earth’s mantle 389
Atomic scale: From atoms to individual defects 390
Generalised stacking faults and plastic shear anisotropy 391
Dislocation modelling 393
Mesoscopic scale: Describing dislocation dynamics 399
Discretisation of space 399
Dislocation mobilities 400
Boundary conditions 401
Application to olivine 401
From single crystals to polycrystals 403
Polycrystal plasticity modelling and strain-induced crystal preferred orientations 403
Modelling polycrystal plasticity by finite elements 406
Effective properties at the macroscopic scale 408
Scale of the mean behaviour of the grains 409
Intragranular scale 410
Case of a two-phase aggregate 411
Concluding remarks 412
References 413
Chapter 17 Viscoelasticity of the Earth’s mantle
by Sharon L WEBB 417
1 Introduction 417
2 Viscoelasticity 421
3 Rheology of the mantle 423
3 1 The upper mantle 424
3 2 Seismic attenuation in the upper mantle (200-400 km) and the Maxwell model
of viscous deformation 424
3 3 Diffusional and dislocation creep in minerals 426
3 4 Viscosity and diffusivity 428
3 5 Mantle convection, isostatic rebound, seismic attenuation and grain size 428
3 6 Anelasticity in polycrystalline materials 430
4 Discussion 432
5 Conclusion 435
5 1 Diffusivity of Si in pyroxene and garnet 436
References 437
Chapter 18 Theory of minerals at extreme conditions:
Predictability of structures and properties
by Donat J ADAMS and Artem R OGANOV 441
1 Introduction 441
2 MgSi03 perovskite and post-perovskite 442
2 1 Symmetry of the structure and electrical conductivity 442
2 2 Decomposition 443
2 3 Elastic constants 445
2 4 Temperature distribution within the Earth’s mantle 445
2 5 MgSi03 post-perovskite 447
2 6 Fe impurities and future work 449
XIV
3 (Mg,Fe)0 magnesiowüstite 450
3 1 Phase diagram 450
3 2 Cauchy relations 450
4 CaSi03 perovskite 451
4 1 Symmetry 451
4 2 Electrical conductivity 452
4 3 Decomposition 452
5 Conclusions 453
Acknowledgements 454
References 454
Name index 459
Subject index 467
Conventions, recommendations and standards
used in this volume
Spelling: British English
Mineral names: Recommendations of the IMA CNMMN
Symbols (abbreviations) for rock-forming minerals: In accordance with the Appendix
of The nomenclature of minerals: A compilation of IMA reports’, edited by R F Martin;
Ottawa: Mineral Assoc Can , 1998
Crystallographic symbols: In accordance with the International tables of crystallography,
Volume A, Space-group symmetry’, edited by Th Hahn; fourth, revised edition; Dordrecht:
Kluwer; 1995
Transcription of Cyrillic characters: British Standard 2979:1958
Notes on the usage of the References lists
Multiple references to an author are listed in the following order: (1) publications of the
author alone, in chronological order, (2) publications of the author with a single co-
author, in alphabetical order of the co-authors’, (3) publications of an author with more
than one co-author in chronological order Different authors with the same surname are
not considered separately
Journal names are abbreviated according to the ISDS standards (with a few exceptions in |
| any_adam_object | 1 |
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| dewey-full | 549 |
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| dewey-raw | 549 |
| dewey-search | 549 |
| dewey-sort | 3549 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Geographie |
| discipline_str_mv | Chemie / Pharmazie Geographie |
| format | Book |
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| illustrated | Illustrated |
| index_date | 2024-07-02T15:49:06Z |
| indexdate | 2024-07-09T20:45:01Z |
| institution | BVB |
| isbn | 9634638376 |
| language | English |
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| publishDate | 2005 |
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| publisher | Eötvös Univ. Press |
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| series | EMU notes in mineralogy |
| series2 | EMU notes in mineralogy |
| spelling | Mineral behaviour at extreme conditions university texbook ed. by Ronald Miletich Budapest Eötvös Univ. Press 2005 XIV, 488 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier EMU notes in mineralogy 7 High pressure (Science) Materials at high pressures Materials at high temperatures Mineralogy Miletich, Ronald edt EMU notes in mineralogy 7 (DE-604)BV014391074 7 HEBIS Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=015017581&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Mineral behaviour at extreme conditions university texbook EMU notes in mineralogy High pressure (Science) Materials at high pressures Materials at high temperatures Mineralogy |
| title | Mineral behaviour at extreme conditions university texbook |
| title_auth | Mineral behaviour at extreme conditions university texbook |
| title_exact_search | Mineral behaviour at extreme conditions university texbook |
| title_exact_search_txtP | Mineral behaviour at extreme conditions university texbook |
| title_full | Mineral behaviour at extreme conditions university texbook ed. by Ronald Miletich |
| title_fullStr | Mineral behaviour at extreme conditions university texbook ed. by Ronald Miletich |
| title_full_unstemmed | Mineral behaviour at extreme conditions university texbook ed. by Ronald Miletich |
| title_short | Mineral behaviour at extreme conditions |
| title_sort | mineral behaviour at extreme conditions university texbook |
| title_sub | university texbook |
| topic | High pressure (Science) Materials at high pressures Materials at high temperatures Mineralogy |
| topic_facet | High pressure (Science) Materials at high pressures Materials at high temperatures Mineralogy |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=015017581&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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