This is the first book covering the theory, practicalities, and the extensive applications of neutron powder diffraction in materials science, physics, chemistry, mineralogy and engineering. Various highlight applications of neutron powder diffraction are outlined in the introduction, then the theory is developed and instrumentation described sufficient for a return to the applications. The book covers the use of neutron powder diffraction in the solution (hard) and refinement (more straightforward) of crystal and magnetic structures, applications of powder diffraction in quantitative phase analysis, extraction of microstructural information from powder diffraction patterns, and the applications of neutron diffraction in studies of elastic properties and for the measurement of residual stress. Additional theory to underpin these various applications is developed as required. Much of the material should be accessible to senior undergraduates in science and engineering, as well as to graduate students and more senior researchers with an interest in the technique.
Author(s): Erich H. Kisi, Christopher J. Howard
Edition: 1
Publisher: Oxford University Press
Year: 2008
Language: English
Pages: 464
Contents......Page 6
Preface......Page 10
Acknowledgements......Page 12
Image Acknowledgements......Page 13
Glossary of symbols......Page 14
1.1 What is neutron powder diffraction?......Page 20
1.2 The role of neutron powder diffraction......Page 21
1.3 Milestones in the development of neutron powder diffraction......Page 22
2.1 Neutrons for diffraction......Page 37
2.2 Samples for diffraction – the structure of condensed matter......Page 39
2.3 Neutron scattering by the sample......Page 58
2.4 The powder diffraction pattern......Page 68
3.1 Where to find neutron powder diffraction facilities......Page 84
3.2 Constant wavelength neutron diffractometers......Page 89
3.3 TOF neutron diffractometers......Page 96
3.5 Experiment design......Page 99
3.6 Sample preparation......Page 119
4.1 Preliminaries......Page 125
4.2 Visual inspection......Page 128
4.3 Phase identification......Page 132
4.4 Unit cell parameters......Page 137
4.5 Peak shapes and widths......Page 143
4.6 Whole pattern fitting......Page 150
5.1 Neutron powder diffraction and crystal structures......Page 153
5.2 More crystallography – description of crystal structures......Page 154
5.3 Reflection conditions and space group determination......Page 165
5.4 Solving structures......Page 169
5.5 Structure refinement – the Rietveld method......Page 174
5.6 Le Bail extraction......Page 196
5.7 Practical considerations in structure refinement......Page 197
5.8 Structure solution and refinement – examples......Page 201
6.1 Introduction......Page 211
6.2 Unit cell determination (powder pattern indexing)......Page 212
6.3 Intensity extraction......Page 224
6.4 Structure solution......Page 231
6.5 Advanced refinement techniques......Page 251
6.6 Looking ahead......Page 268
7.1 Introduction......Page 270
7.2 Crystallography and symmetry of magnetic structures......Page 271
7.3 Magnetic scattering and diffraction......Page 279
7.4 Solving magnetic structures......Page 286
7.5 Recent examples......Page 292
8.1 Introduction......Page 303
8.2 Theory......Page 304
8.3 Individual peak methods......Page 306
8.4 Whole pattern analysis......Page 311
8.5 Evaluation of the techniques......Page 312
8.6 Practical examples......Page 313
9.1 Introduction......Page 327
9.2 Particle size......Page 328
9.3 Microstrains......Page 349
9.4 Combined size and strain broadening......Page 359
9.5 Chemical and physical gradients......Page 365
9.6 Line defects – dislocation broadening......Page 377
9.7 Plane defects and stacking disorder......Page 387
9.8 Texture......Page 393
10.1 Introduction......Page 400
10.2 Thermal diffuse scattering......Page 401
10.3 Short-range order scattering......Page 404
10.4 Scattering from gases, liquids, and amorphous solids......Page 414
11.1 Stresses, strains, and elastic constants in nature and industry......Page 422
11.2 Influence of elastic strains on the powder diffraction pattern......Page 433
11.3 Neutron diffraction residual stress analysis......Page 439
11.4 Determination of single crystal elastic constants from polycrystalline samples......Page 457
12.2 Neutron sources......Page 462
12.3 Components......Page 463
12.4 Diffractometers......Page 465
12.5 Data analysis......Page 468
12.6 New problems for study by neutron powder diffraction......Page 472
12.7 Closing remarks......Page 477
Appendix 1......Page 478
Appendix 2......Page 481
References......Page 482
C......Page 500
E......Page 501
M......Page 502
P......Page 503
S......Page 504
Z......Page 505
