Journal of Applied Crystallography

Volume 34, Part 5 (October 2001)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Diffuse scattering around a 200 Bragg peak from a Cu-Ti single crystal (the intensities are in ln scale, the plane is (001), with the [100] direction horizontal, and the Bragg peak is masked by the blue beam stop). Courtesy of O. Lyon, C. Servant & J. P. Simon [J. Appl. Cryst. (2000), 33, 928-937].

research papers


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J. Appl. Cryst. (2001). 34, 541-548  [ doi:10.1107/S0021889801004708 ]

Determination of [gamma]' solution temperature in Re-rich Ni-base superalloy by small-angle neutron scattering

P. Strunz, D. Mukherji, R. Gilles, A. Wiedenmann and H. Fuess

Synopsis: The evolution of the microstructure of Re-rich Ni-base superalloy at high temperatures was investigated in situ by small-angle neutron scattering. Parameters calculated from the scattering curves enable one to determine the optimum temperature for homogenizing heat treatment.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 549-557  [ doi:10.1107/S0021889801008810 ]

Contribution to X-ray analysis of carbo-nitrided steel layers

J. M. Sprauel and H. Michaud

Synopsis: The two major constituents of carbo-nitrided steel layers, i.e. the martensite and the austenite, and the incoherent scattering fraction are analysed by X-ray diffraction, defining the volume fraction of retained austenite. A micro-mechanical model is then developed to evaluate the true stress and carbon content of both phases.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 558-565  [ doi:10.1107/S0021889801008676 ]

Estimation of errors in the measurement of unit-cell parameters. I. Statistical uncertainties of peak positions of powder diffraction lines determined by individual profile fitting

H. Toraya

Synopsis: A formula for estimating the statistical uncertainty of peak positions, determined by individual profile fitting, has been derived. The formula explicitly states which factors are important to improve precision: (i) good counting statistics, (ii) sharp peak profile, (iii) Gaussian profile shape when the parameter for profile asymmetry is not refined, (iv) symmetric profile shape, (v) high peak-to-background ratio, and (vi) perfect profile modelling.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 566-572  [ doi:10.1107/S0021889801009529 ]

Diffraction contrast in X-ray radiographic images of octahedrite meteorites

W. Weiss and H. J. Bunge

Synopsis: In iron-nickel meteorite samples, diffraction contrast from kamacite lamellae was observed in conventional X-ray transmission radiographs oriented parallel to one or two of the lamellae habit planes.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 573-579  [ doi:10.1107/S0021889801009530 ]

X-ray study of the orientational order of a concentrated dispersion of kaolinite under flow

S. Barè, J. Cockcroft, S. L. Colston, A. C. Jupe and A. R. Rennie

Synopsis: Diffraction with high-energy X-rays is used to determine the alignment of kaolinite particles flowing as a dispersion in a pipe. The principles of the method are described and the important effect of the walls on alignment is noted.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 580-584  [ doi:10.1107/S0021889801009517 ]

Radii of gyration and scattering functions of a torus and its derivatives

T. Kawaguchi

Synopsis: The radii of gyration and scattering functions of a torus and its derivatives have been derived in cylindrical coordinates.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 585-601  [ doi:10.1107/S0021889801010482 ]

On the diffractive determination of single-crystal elastic constants using polycrystalline samples

S. Matthies, H. G. Priesmeyer and M. R. Daymond

Synopsis: The current methods in the field of diffractive residual-stress analysis are briefly described and specific difficulties, including the quality of the experimental data and the applied micro-mechanical models (especially when texture cannot be neglected), are discussed. The key relations for the BPGeo micro-mechanical model (in which a texture-weighted geometric mean is applied in the stress analysis) are given for the general case and the possibility of resolving the so-called d0 problem using the original line-position data for a structure refinement is demonstrated.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 602-607  [ doi:10.1107/S002188980101086X ]

Three-dimensional imaging of crystal defects by `topo-tomography'

W. Ludwig, P. Cloetens, J. Härtwig, J. Baruchel, B. Hamelin and P. Bastie

Synopsis: A new three-dimensional crystal characterization technique, based on the combination of X-ray diffraction topography and computed microtomography, is discussed and first experimental results are presented for the case of a synthetic diamond single crystal.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 608-612  [ doi:10.1107/S0021889801010913 ]

A monolithic monochromator-collimator for high-resolution X-ray diffraction

C. Ferrari and D. Korytar

Synopsis: A new design of monochromator for high-resolution X-ray diffraction, based on a single crystal, is described. While its resolution and beam intensity compare well with those of the Bartels monochromator, its compact design and easy alignment offer additional advantages.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 613-624  [ doi:10.1107/S0021889801009190 ]

Monte Carlo simulation of a reactor-based neutron strain scanning diffractometer

C. R. Borlado, F. J. Mompean and R. L. Peng

Synopsis: A Monte Carlo code for the simulation of strain scanning experiments is presented. Simulated instrumental resolution, beam divergence and wavelength distribution are in good agreement with experimental results.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 625-629  [ doi:10.1107/S0021889801009049 ]

New contrasts of piezoelectric devices using synchrotron stroboscopic section topography at ESRF

B. Capelle, J. Détaint and Y. Epelboin

Synopsis: In stroboscopic section topography studies of the propagation modes of ultra-acoustic waves in quartz planar resonators, the images present a number of internal lines inside the section that allow a quantitative analysis of the vibration modes. When the excitation level increases, the shape of the lines enables the study of the dumping of the vibration along the surface of the device.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 630-638  [ doi:10.1107/S002188980100930X ]

Application of the reverse Monte Carlo method to crystalline materials

M. G. Tucker, M. T. Dove and D. A. Keen

Synopsis: The reverse Monte Carlo method, applied to the study of crystalline materials, is developed further by fitting the Bragg peak intensities explicitly.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 639-645  [ doi:10.1107/S0021889801009633 ]

Concepts in spin echo small-angle neutron scattering

J. Zhao

Synopsis: Two-dimensional spin echo small-angle neutron scattering experiments are proposed for the direct measurement of the vector-length distribution function. Interpretation of the correlation function from one-dimensional experiments is also presented.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 646-653  [ doi:10.1107/S0021889801010627 ]

Sagittal focusing of high-energy synchrotron X-rays with asymmetric Laue crystals. II. Experimental studies

Z. Zhong, C. C. Kao, D. P. Siddons and J. B. Hastings

Synopsis: Asymmetric Laue crystals were used in a double-crystal monochromator to focus high-energy X-rays sagittally. Adjustments of the tilt angle and height of the bent crystal resulted in first- and second-order corrections, respectively, to the dependence of the diffraction angle on the sagittal position.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 654-657  [ doi:10.1107/S0021889801011864 ]

A furnace for in situ X-ray diffraction studies of insertion processes in electrode materials at elevated temperatures

T. Eriksson, A. M. Andersson, Ö. Bergström, K. Edström, T. Gustafsson and J. O. Thomas

Synopsis: A furnace is described for in situ X-ray diffraction studies, in transmission mode, of structural changes in electrode materials for Li-ion (polymer) batteries in the ambient to 300°C temperature range.

Online 25 September 2001


teaching and education


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J. Appl. Cryst. (2001). 34, 658-660  [ doi:10.1107/S0021889801009724 ]

Simulation of electron density maps for two-dimensional crystal structures using Mathematica

P. Delatorre and W. F. de Azevedo Jr

Synopsis: Simulations of electron density maps and the determination of the influence of thermal vibration on these maps using the program Mathematica are described.

Online 25 September 2001


short communications


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J. Appl. Cryst. (2001). 34, 661-662  [ doi:10.1107/S0021889801010834 ]

Twin structure in Yb:YAl3(BO3)4 crystal

S. Zhao, J. Wang, D. Sun, X. Hu and H. Liu

Synopsis: Based on atomic force microscopy observations, a check-like twin structure in the self-frequency-doubling laser crystal material Yb:YAl3(BO3)4 is found.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 663-665  [ doi:10.1107/S0021889801012237 ]

Micro X-ray diffraction on capillary powder samples: a novel and effective technique for overcoming preferred orientation

P. Bergese, E. Bontempi, I. Colombo and L. E. Depero

Synopsis: It is shown how micro X-ray diffraction supported by a two-dimensional detector is an easy and rapid method for overcoming preferred orientation of powder samples.

Online 25 September 2001


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J. Appl. Cryst. (2001). 34, 666-668  [ doi:10.1107/S0021889801013176 ]

Ultrafine nanostructure of partially crystallized bulk amorphous Zr54.5Ti7.5Al10Cu20Ni8

H. Hermann, A. Heinemann, H.-D. Bauer, N. Mattern, U. Kühn and A. Wiedenmann

Synopsis: The microstructure of a partially crystallized Zr-based bulk amorphous alloy is analyzed by means of small-angle neutron scattering and high-resolution electron microscopy. Mean diameter, size distribution and packing fraction of the crystallites are estimated.

Online 25 September 2001


computer programs


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J. Appl. Cryst. (2001). 34, 669-676  [ doi:10.1107/S0021889801011451 ]

MWP-fit: a program for multiple whole-profile fitting of diffraction peak profiles by ab initio theoretical functions

G. Ribárik, T. Ungár and J. Gubicza

Synopsis: A computer program is elaborated for the determination of crystallite size distribution and dislocation structure by fitting the measured diffraction profiles by ab initio theoretical functions.

Online 25 September 2001


laboratory notes


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J. Appl. Cryst. (2001). 34, 677-678  [ doi:10.1107/S0021889801009219 ]

A 1000°C furnace for in situ X-ray diffraction

A. Puig-Molina, B. Gorges and H. Graafsma

Synopsis: The design of a furnace covering the range from 25 to 1000°C for in situ X-ray diffraction studies in transmission geometry is presented.

Online 25 September 2001


 

J. Appl. Cryst. (2001). 34, 679-680

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