Preface xiii 1. Introduction 1 1.1 X-Ray Technology, a Brief History, 1 1.2 Geometry of Crystals, 2 1.3 Principles of X-Ray Diffraction, 11 1.4 Reciprocal Space and Diffraction, 13 1.5 Two-Dimensional X-Ray Diffraction, 19 References, 26 2. Geometry and Fundamentals 29 2.1 Introduction, 29 2.2 Diffraction Space and Laboratory Coordinates, 31 2.3 Detector Space and Detector Geometry, 35 2.4 Sample Space and Goniometer Geometry, 46 2.5 Transformation from Diffraction Space to Sample Space, 50 2.6 Reciprocal Space, 52 2.7 Summary, 53 References, 55 3. X-Ray Source and Optics 57 3.2 X-Ray Optics, 63 References, 85 4. X-Ray Detectors 87 4.1 History of X-Ray Detection Technology, 87 4.2 Point Detectors in Conventional Diffractometers, 89 4.3 Characteristics of Point Detectors, 92 4.4 Line Detectors, 100 4.5 Characteristics of Area Detectors, 107 4.6 Types of Area Detectors, 119 References, 137 5. Goniometer and Sample Stages 141 5.1 Goniometer and Sample Position, 141 5.2 Goniometer Accuracy, 145 5.3 Sample Alignment and Visualization Systems, 149 5.4 Environment Stages, 151 References, 155 6. Data Treatment 157 6.1 Introduction, 157 6.2 Non-Uniform Response Correction, 157 6.3 Spatial Correction, 161 6.4 Detector Position Accuracy and Calibration, 166 6.5 Frame Integration, 177 6.6 Multiple Frame Merge, 186 6.7 Scanning 2D Pattern, 194 6.8 Lorentz, Polarization, and Absorption Corrections, 197 References, 208 7. Phase Identification 211 7.1 Introduction, 211 7.2 Relative Intensity, 212 7.3 Geometry and Resolution, 216 7.4 Sampling Statistics, 221 7.5 Preferred Orientation Effect, 227 References, 233 8. Texture Analysis 235 8.1 Introduction, 235 8.2 Pole Density and Pole-Figure, 236 8.3 Fundamental Equations, 238 8.4 Data Collection Strategy, 242 8.5 Texture Data Process, 251 8.6 Orientation Distribution Function, 256 8.7 Fiber Texture, 261 8.8 Polymer Texture, 264 8.9 Other Advantages of XRD2 for Texture, 268 References, 269 9. Stress Measurement 271 9.1 Introduction, 271 9.2 Principle of X-ray Stress Analysis, 280 9.3 Theory of Stress Analysis with XRD2, 292 9.4 Process of Stress Measurement with XRD2, 307 9.5 Experimental Examples, 325 A9.1 Calculate Principal Stresses, 349 A9.2 Calculate the direction cosines for principal stresses (Eigenvectors), 350 References, 353 10. Small Angle X-ray Scattering 357 10.1 Introduction, 357 10.2 2D SAXS Systems, 361 10.3 Applications Examples, 367 10.4 Some Innovations in 2D SAXS, 370 References, 374 11. Combinatorial Screening 379 11.1 Introduction, 379 11.2 XRD2 Systems for High Throughput Screening, 380 11.3 Combined Screening with XRD2 and Raman, 390 Reference, 393 12. Miscellaneous Applications 395 12.1 Percent Crystallinity, 395 12.2 Crystal Size, 402 12.3 Retained Austenite, 412 12.4 Crystal Orientation, 414 12.5 Thin Film Analysis, 418 Reference, 429 13. Innovation and Future Development 433 13.1 Introduction, 433 13.2 Scanning Line Detector for XRD2, 434 13.3 Three-Dimensional Detector, 438 13.4 Pixel Direct Diffraction Analysis, 441 13.5 High Resolution Two-Dimensional X-Ray Diffractometer, 444 References, 451 Appendix A. Values of Commonly Used Parameters 453 Appendix B. Symbols 459 Index 465
Preface xiii
1. Introduction 1
1.1 X-Ray Technology, a Brief History, 1
1.2 Geometry of Crystals, 2
1.3 Principles of X-Ray Diffraction, 11
1.4 Reciprocal Space and Diffraction, 13
1.5 Two-Dimensional X-Ray Diffraction, 19
References, 26
2. Geometry and Fundamentals 29
2.1 Introduction, 29
2.2 Diffraction Space and Laboratory Coordinates, 31
2.3 Detector Space and Detector Geometry, 35
2.4 Sample Space and Goniometer Geometry, 46
2.5 Transformation from Diffraction Space to Sample Space, 50
2.6 Reciprocal Space, 52
2.7 Summary, 53
References, 55
3. X-Ray Source and Optics 57
3.2 X-Ray Optics, 63
References, 85
4. X-Ray Detectors 87
4.1 History of X-Ray Detection Technology, 87
4.2 Point Detectors in Conventional Diffractometers, 89
4.3 Characteristics of Point Detectors, 92
4.4 Line Detectors, 100
4.5 Characteristics of Area Detectors, 107
4.6 Types of Area Detectors, 119
References, 137
5. Goniometer and Sample Stages 141
5.1 Goniometer and Sample Position, 141
5.2 Goniometer Accuracy, 145
5.3 Sample Alignment and Visualization Systems, 149
5.4 Environment Stages, 151
References, 155
6. Data Treatment 157
6.1 Introduction, 157
6.2 Non-Uniform Response Correction, 157
6.3 Spatial Correction, 161
6.4 Detector Position Accuracy and Calibration, 166
6.5 Frame Integration, 177
6.6 Multiple Frame Merge, 186
6.7 Scanning 2D Pattern, 194
6.8 Lorentz, Polarization, and Absorption Corrections, 197
References, 208
7. Phase Identification 211
7.1 Introduction, 211
7.2 Relative Intensity, 212
7.3 Geometry and Resolution, 216
7.4 Sampling Statistics, 221
7.5 Preferred Orientation Effect, 227
References, 233
8. Texture Analysis 235
8.1 Introduction, 235
8.2 Pole Density and Pole-Figure, 236
8.3 Fundamental Equations, 238
8.4 Data Collection Strategy, 242
8.5 Texture Data Process, 251
8.6 Orientation Distribution Function, 256
8.7 Fiber Texture, 261
8.8 Polymer Texture, 264
8.9 Other Advantages of XRD2 for Texture, 268
References, 269
9. Stress Measurement 271
9.1 Introduction, 271
9.2 Principle of X-ray Stress Analysis, 280
9.3 Theory of Stress Analysis with XRD2, 292
9.4 Process of Stress Measurement with XRD2, 307
9.5 Experimental Examples, 325
A9.1 Calculate Principal Stresses, 349
A9.2 Calculate the direction cosines for principal stresses (Eigenvectors), 350
References, 353
10. Small Angle X-ray Scattering 357
10.1 Introduction, 357
10.2 2D SAXS Systems, 361
10.3 Applications Examples, 367
10.4 Some Innovations in 2D SAXS, 370
References, 374
11. Combinatorial Screening 379
11.1 Introduction, 379
11.2 XRD2 Systems for High Throughput Screening, 380
11.3 Combined Screening with XRD2 and Raman, 390
Reference, 393
12. Miscellaneous Applications 395
12.1 Percent Crystallinity, 395
12.2 Crystal Size, 402
12.3 Retained Austenite, 412
12.4 Crystal Orientation, 414
12.5 Thin Film Analysis, 418
Reference, 429