Chapter
Publicly Available
The evaluation of the kinetics of ordering processes in Ni1+δSn (δ = 0.35, 0.50) by X-ray powder diffraction
-
A. Leineweber
Chapters in this book
- Frontmatter I
- Preface: Condensation of Scientific Knowledge on Powder Diffraction VII
- Editorial Notes XIII
- European Powder Diffraction Conference Award XV
- Table of Contents XVII
-
I. METHOD DEVELOPMENT AND APPLICATION
-
I.1 Determination of Crystal Structure
- Protein polycrystallography 3
- Using the parallel tempering algorithm to overcome complex problems in structure determination of inorganic materials with laboratory X-rays 9
- Molecular crystal structures from powder X-ray diffraction techniques 15
- On the uncertainty of lattice parameters refined from neutron diffraction data 21
-
I.2 Qualitative and Quantitative Phase Analysis
- Application of the Rietveld method to the severely superimposed diffraction patterns of technical products containing a large number of solid solution phases 29
- Application of X-ray diffraction in forensic science 35
-
I.3 Analysis of Microstructure and Macrostress
-
I.3.1 Residual Stresses
- Diffraction stress analysis of grain interaction in polycrystalline materials 43
- Accurate absolute peak positions for multiple {hkl} residual stress analysis by means of misalignment corrections 49
- Diffraction stress analysis of strongly fibre-textured gold layers 55
- Residual stress measurement of gold artefacts by Debye ring analysis 61
- X-ray residual stress measurement in titanium nitride thin films 67
-
I.3.2 Line Broadening Analysis
- Dislocation line broadening 75
- Considerations concerning Wilkens’ theory of dislocation line-broadening 81
- Momentum method applied to evaluation of size and strain in ball-milled iron 87
- Microstructure of severely deformed metals from X-ray line profile analysis 93
- Burgers Vector Populations in hot rolled titanium determined by X-ray Peak Profile Analysis 99
- Spatial fluctuations of the microstructure during deformation of Cu single crystals 105
- Analysis of polydisperse ball-milled fluorite powders using a full pattern technique 111
- Anisotropic microstrain broadening due to compositional inhomogeneities and its parametrisation 117
- X-ray diffraction from epitaxial thin films: an analytical expression of the line profiles accounting for microstructure 123
- Microstructure of post-deformed ECAPTi investigated by Multiple X-Ray Line Profile Analysis 129
- The Dislocation-Structure and Crystallite- Size in Forsterite (Olivine) Deformed at 1400 °C by 11 GPa 135
- Diffuse X-ray scattering from GaN/SiC (0001) thin films 141
- Test of applicability of some powder diffraction tools to nanocrystals 147
- Influence of coherent connection of crystalline blocks on the diffraction pattern of nanostructured materials 155
-
I.4 Texture
- Automated Crystal Orientation Measurement by backscatter Kikuchi diffraction 163
- A simple technique for correcting diffraction intensities for the effects of preferred orientation in calcite samples 169
- Influence of extinction phenomenon on determination of the orientation distribution function 175
-
II. INSTRUMENTAL
- First test measurements at the new structure powder diffractometer (SPODI) at the FRM-II 183
- EXED – the new Extreme Environment Diffractometer at the Hahn-Meitner-Institut Berlin 189
- R2D2: a new neutron powder diffractometer at NFL 195
- Bent perfect crystal monochromator at the monochromatic focusing condition 199
- Multiple-reflection neutron bent-perfect-crystal (BPC) monochromator 205
- Wavelength calibration in conventional SANS setup with a mechanical velocity selector 211
- Neutron RTOF diffractometer FSD for residual stress investigation 217
-
III. SOFTWARE DEVELOPMENT
- Indexing with the successive dichotomy method, DICVOL04 225
- Powder3D: An easy to use program for data reduction and graphical presentation of large numbers of powder diffraction patterns 231
- BRASS, the Bremen Rietveld analysis and structure suite 237
- FAULTS, a new program for refinement of powder diffraction patterns from layered structures 243
- PM2K: a flexible program implementing Whole Powder Pattern Modelling 249
- Calculating the peak shape of axially focussing powder diffractometers 255
-
IV. MATERIALS
-
IV.1 Thin Layers
- X-ray scattering from interface dislocations in highly mismatched oxide epitaxial films 263
- Influence of magnetron sputtering conditions on the parameters of TiN coatings on steel substrates 269
- Structural and microstructural characterisation of ZrN coatings for decorative applications 275
- Chalcogenide films on glass substrate as attenuators of X-ray radiation 281
- Effect of annealing conditions on structural transformation of ZnS thin film 287
- Electrocrystallization of Pt layers onto Au substrates; an X-ray diffraction study 293
- Residual stress mapping in the zirconia electrolyte layer of a high-temperature solid oxide fuel cell 299
- Ultrashort period Cu/Si and Ni/C multilayers for X-ray mirrors 305
-
IV.2 Nanocrystalline Materials
- Microstructure of nanocrystalline materials studied by powder diffraction 313
- Preparation and characterization of isometric gold nanoparticles with pre-calculated size 319
- Bulk characterization of multiwall carbon nanotubes 325
- Neutron diffraction studies of the atomic vibrations of bulk and surface atoms of nanocrystalline SiC 331
- Phase transition in nanocrystalline ZnO 337
-
IV.3 Metals and Alloys
- Study of martensitic transformation in fatigued stainless steel by neutron diffraction stress analysis 345
- The evaluation of the kinetics of ordering processes in Ni1+δSn (δ = 0.35, 0.50) by X-ray powder diffraction 351
- In situ neutron diffraction study of the low cycle fatigue of the α−γ duplex stainless steel 357
- SANS investigation of precipitate microstructure in nickel-base superalloys Waspaloy and DT750 363
- Diffraction analysis of iron materials after surface machining 369
- Non-destructive phase analysis and residual stresses measurement using grazing angle X-ray diffraction geometry 375
- Thermal stability of the microstructure of severely deformed copper 381
- Archaeometric study of Dutch Tin-Lead spoon fragments from Amsterdam: 1500–1775 AD. A neutron diffraction study 387
- Characterisation of radiation-induced precipitates in reactor pressure vessel steels 393
- Structure analysis of NiZr2 in reciprocal and real space 399
- In situ high temperature XRD studies of the crystallisation of melt-spun Mg77Ni18Y5 405
- Complex intermetallic compounds in the Mg-Ir system solved by powder diffraction 411
-
IV.4 Minerals and Inorganics
-
IV.4.1 Structural Changes, Non-Ambient Conditions
- Low temperature SR-XRPD study of åkermanite-gehlenite solid solution 419
- Study of the structural evolution and selectivity of Wyoming montmorillonite in relation with the concentration of Cu2+ and Ni2+ 425
- The interlayer structure and thermal behavior of Cu and Ni montmorillonites 431
- Structural characterisation of hightemperature K-exchanged sodalite 437
- A time-resolved X-ray powder diffraction method to trace the decomposition of PdBy solid solutions 443
- γʹ-Fe4N formation in decomposing ε-Fe3N: A powder diffraction study using synchrotron radiation 449
- X – ray powder diffraction study of leucite crystallisation 455
- Neutron diffraction structure study of borosilicate based matrix glasses 461
- Neutron diffraction studies of temperature induced phase transitions in Rb2KFeF6 elpasolite 467
-
IV.4.2 Determination of Crystal Structure
- Cation distribution in Li2M(II)Sn3O8, M(II) = Mg, Co, Fe 475
- Crystal structure of the monoclinic Ba2MgSi2O7 persistent luminescence material 481
- Cation distributions in fully hydrated Sr-and Rb- bicationic zeolites: an X-ray anomalous powder diffraction study 487
- Model of structure disorder of illite: preliminary results 493
- XRD study of the stacking mode of the nacrite/alkali halides complexes 499
- Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite 505
- Rietveld analysis of polytypic Zn1−xMgxSe and Zn1−x−yMgxBeySe solid solutions 511
- A proposition for the structure of ammonium hydrogen (acid) urate from uroliths 517
- X-ray powder diffraction data of synthetic ß- Tricalcium Phosphate 523
- Distribution of sodium cations and chemisorbed methyl groups in the structure of NaX and NaLSX zeolite catalysts by powder neutron diffraction and 13C NMR 529
-
IV.4.3 Determination of Magnetic Structure, Magnetic Materials
- Structural and magnetic study of magnetoelectric perovskite Sr2CoMoO6 537
- Crystal structure and magnetism of Pr[Fe(CN)6]·4D2O 543
-
IV.4.4 Microstructure, Phase Analysis
- Microstructure of crystalline phases in electrotechnical porcelains 551
- Micro(nano)structure of the glacial state in triphenyl phosphite (TPP) 557
- Correlation between texture and tabletting properties of some pharmaceutical tablets 563
- Incrustation of precious stones in dental apatite 569
- Microstructural analysis of ZnO from different aqueous synthesis routes 575
- The effect of Al and Gd doping on the structure, microstructure and thermal expansion of gallium nitride (GaN) 581
- Quantitative phase analysis of ordinary Portland cements using synchrotron radiation powder diffraction 587
-
IV.5 Organic Materials
- Ab initio structure determination of two anhydrous forms of α-lactose by powder X-ray diffraction 595
- Structure determination of 1-pentanol (C5H12O) at 183 K 601
- Crystallographic texture changes of wood due to air parameter variations 607
- Poly(ethylene glycol) interactions with proteins 613
- Author Index xxvii
Chapters in this book
- Frontmatter I
- Preface: Condensation of Scientific Knowledge on Powder Diffraction VII
- Editorial Notes XIII
- European Powder Diffraction Conference Award XV
- Table of Contents XVII
-
I. METHOD DEVELOPMENT AND APPLICATION
-
I.1 Determination of Crystal Structure
- Protein polycrystallography 3
- Using the parallel tempering algorithm to overcome complex problems in structure determination of inorganic materials with laboratory X-rays 9
- Molecular crystal structures from powder X-ray diffraction techniques 15
- On the uncertainty of lattice parameters refined from neutron diffraction data 21
-
I.2 Qualitative and Quantitative Phase Analysis
- Application of the Rietveld method to the severely superimposed diffraction patterns of technical products containing a large number of solid solution phases 29
- Application of X-ray diffraction in forensic science 35
-
I.3 Analysis of Microstructure and Macrostress
-
I.3.1 Residual Stresses
- Diffraction stress analysis of grain interaction in polycrystalline materials 43
- Accurate absolute peak positions for multiple {hkl} residual stress analysis by means of misalignment corrections 49
- Diffraction stress analysis of strongly fibre-textured gold layers 55
- Residual stress measurement of gold artefacts by Debye ring analysis 61
- X-ray residual stress measurement in titanium nitride thin films 67
-
I.3.2 Line Broadening Analysis
- Dislocation line broadening 75
- Considerations concerning Wilkens’ theory of dislocation line-broadening 81
- Momentum method applied to evaluation of size and strain in ball-milled iron 87
- Microstructure of severely deformed metals from X-ray line profile analysis 93
- Burgers Vector Populations in hot rolled titanium determined by X-ray Peak Profile Analysis 99
- Spatial fluctuations of the microstructure during deformation of Cu single crystals 105
- Analysis of polydisperse ball-milled fluorite powders using a full pattern technique 111
- Anisotropic microstrain broadening due to compositional inhomogeneities and its parametrisation 117
- X-ray diffraction from epitaxial thin films: an analytical expression of the line profiles accounting for microstructure 123
- Microstructure of post-deformed ECAPTi investigated by Multiple X-Ray Line Profile Analysis 129
- The Dislocation-Structure and Crystallite- Size in Forsterite (Olivine) Deformed at 1400 °C by 11 GPa 135
- Diffuse X-ray scattering from GaN/SiC (0001) thin films 141
- Test of applicability of some powder diffraction tools to nanocrystals 147
- Influence of coherent connection of crystalline blocks on the diffraction pattern of nanostructured materials 155
-
I.4 Texture
- Automated Crystal Orientation Measurement by backscatter Kikuchi diffraction 163
- A simple technique for correcting diffraction intensities for the effects of preferred orientation in calcite samples 169
- Influence of extinction phenomenon on determination of the orientation distribution function 175
-
II. INSTRUMENTAL
- First test measurements at the new structure powder diffractometer (SPODI) at the FRM-II 183
- EXED – the new Extreme Environment Diffractometer at the Hahn-Meitner-Institut Berlin 189
- R2D2: a new neutron powder diffractometer at NFL 195
- Bent perfect crystal monochromator at the monochromatic focusing condition 199
- Multiple-reflection neutron bent-perfect-crystal (BPC) monochromator 205
- Wavelength calibration in conventional SANS setup with a mechanical velocity selector 211
- Neutron RTOF diffractometer FSD for residual stress investigation 217
-
III. SOFTWARE DEVELOPMENT
- Indexing with the successive dichotomy method, DICVOL04 225
- Powder3D: An easy to use program for data reduction and graphical presentation of large numbers of powder diffraction patterns 231
- BRASS, the Bremen Rietveld analysis and structure suite 237
- FAULTS, a new program for refinement of powder diffraction patterns from layered structures 243
- PM2K: a flexible program implementing Whole Powder Pattern Modelling 249
- Calculating the peak shape of axially focussing powder diffractometers 255
-
IV. MATERIALS
-
IV.1 Thin Layers
- X-ray scattering from interface dislocations in highly mismatched oxide epitaxial films 263
- Influence of magnetron sputtering conditions on the parameters of TiN coatings on steel substrates 269
- Structural and microstructural characterisation of ZrN coatings for decorative applications 275
- Chalcogenide films on glass substrate as attenuators of X-ray radiation 281
- Effect of annealing conditions on structural transformation of ZnS thin film 287
- Electrocrystallization of Pt layers onto Au substrates; an X-ray diffraction study 293
- Residual stress mapping in the zirconia electrolyte layer of a high-temperature solid oxide fuel cell 299
- Ultrashort period Cu/Si and Ni/C multilayers for X-ray mirrors 305
-
IV.2 Nanocrystalline Materials
- Microstructure of nanocrystalline materials studied by powder diffraction 313
- Preparation and characterization of isometric gold nanoparticles with pre-calculated size 319
- Bulk characterization of multiwall carbon nanotubes 325
- Neutron diffraction studies of the atomic vibrations of bulk and surface atoms of nanocrystalline SiC 331
- Phase transition in nanocrystalline ZnO 337
-
IV.3 Metals and Alloys
- Study of martensitic transformation in fatigued stainless steel by neutron diffraction stress analysis 345
- The evaluation of the kinetics of ordering processes in Ni1+δSn (δ = 0.35, 0.50) by X-ray powder diffraction 351
- In situ neutron diffraction study of the low cycle fatigue of the α−γ duplex stainless steel 357
- SANS investigation of precipitate microstructure in nickel-base superalloys Waspaloy and DT750 363
- Diffraction analysis of iron materials after surface machining 369
- Non-destructive phase analysis and residual stresses measurement using grazing angle X-ray diffraction geometry 375
- Thermal stability of the microstructure of severely deformed copper 381
- Archaeometric study of Dutch Tin-Lead spoon fragments from Amsterdam: 1500–1775 AD. A neutron diffraction study 387
- Characterisation of radiation-induced precipitates in reactor pressure vessel steels 393
- Structure analysis of NiZr2 in reciprocal and real space 399
- In situ high temperature XRD studies of the crystallisation of melt-spun Mg77Ni18Y5 405
- Complex intermetallic compounds in the Mg-Ir system solved by powder diffraction 411
-
IV.4 Minerals and Inorganics
-
IV.4.1 Structural Changes, Non-Ambient Conditions
- Low temperature SR-XRPD study of åkermanite-gehlenite solid solution 419
- Study of the structural evolution and selectivity of Wyoming montmorillonite in relation with the concentration of Cu2+ and Ni2+ 425
- The interlayer structure and thermal behavior of Cu and Ni montmorillonites 431
- Structural characterisation of hightemperature K-exchanged sodalite 437
- A time-resolved X-ray powder diffraction method to trace the decomposition of PdBy solid solutions 443
- γʹ-Fe4N formation in decomposing ε-Fe3N: A powder diffraction study using synchrotron radiation 449
- X – ray powder diffraction study of leucite crystallisation 455
- Neutron diffraction structure study of borosilicate based matrix glasses 461
- Neutron diffraction studies of temperature induced phase transitions in Rb2KFeF6 elpasolite 467
-
IV.4.2 Determination of Crystal Structure
- Cation distribution in Li2M(II)Sn3O8, M(II) = Mg, Co, Fe 475
- Crystal structure of the monoclinic Ba2MgSi2O7 persistent luminescence material 481
- Cation distributions in fully hydrated Sr-and Rb- bicationic zeolites: an X-ray anomalous powder diffraction study 487
- Model of structure disorder of illite: preliminary results 493
- XRD study of the stacking mode of the nacrite/alkali halides complexes 499
- Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite 505
- Rietveld analysis of polytypic Zn1−xMgxSe and Zn1−x−yMgxBeySe solid solutions 511
- A proposition for the structure of ammonium hydrogen (acid) urate from uroliths 517
- X-ray powder diffraction data of synthetic ß- Tricalcium Phosphate 523
- Distribution of sodium cations and chemisorbed methyl groups in the structure of NaX and NaLSX zeolite catalysts by powder neutron diffraction and 13C NMR 529
-
IV.4.3 Determination of Magnetic Structure, Magnetic Materials
- Structural and magnetic study of magnetoelectric perovskite Sr2CoMoO6 537
- Crystal structure and magnetism of Pr[Fe(CN)6]·4D2O 543
-
IV.4.4 Microstructure, Phase Analysis
- Microstructure of crystalline phases in electrotechnical porcelains 551
- Micro(nano)structure of the glacial state in triphenyl phosphite (TPP) 557
- Correlation between texture and tabletting properties of some pharmaceutical tablets 563
- Incrustation of precious stones in dental apatite 569
- Microstructural analysis of ZnO from different aqueous synthesis routes 575
- The effect of Al and Gd doping on the structure, microstructure and thermal expansion of gallium nitride (GaN) 581
- Quantitative phase analysis of ordinary Portland cements using synchrotron radiation powder diffraction 587
-
IV.5 Organic Materials
- Ab initio structure determination of two anhydrous forms of α-lactose by powder X-ray diffraction 595
- Structure determination of 1-pentanol (C5H12O) at 183 K 601
- Crystallographic texture changes of wood due to air parameter variations 607
- Poly(ethylene glycol) interactions with proteins 613
- Author Index xxvii