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  • 1
    Online Resource
    Online Resource
    International Union of Crystallography (IUCr) ; 2013
    In:  Journal of Applied Crystallography Vol. 46, No. 4 ( 2013-08-01), p. 898-902
    In: Journal of Applied Crystallography, International Union of Crystallography (IUCr), Vol. 46, No. 4 ( 2013-08-01), p. 898-902
    Abstract: The technique of reciprocal space mapping using X-rays is a recognized tool for the nondestructive characterization of epitaxial films. X-ray scattering from epitaxial Si 0.4 Ge 0.6 films on Si(100) substrates using a laboratory X-ray source was investigated. It is shown that a laboratory source with a rotating anode makes it possible to investigate the material parameters of the super-thin 2–6 nm layers. For another set of partially relaxed layers, 50–200 nm thick, it is shown that from a high-resolution reciprocal space map, conditioned from diffuse scattering on dislocations, it is possible to determine quantitatively from the shape of a diffraction peak (possessing no thickness fringes) additional parameters such as misfit dislocation density and layer thickness as well as concentration and relaxation.
    Type of Medium: Online Resource
    ISSN: 0021-8898
    RVK:
    Language: Unknown
    Publisher: International Union of Crystallography (IUCr)
    Publication Date: 2013
    detail.hit.zdb_id: 2020879-0
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  • 2
    Online Resource
    Online Resource
    International Union of Crystallography (IUCr) ; 2021
    In:  Journal of Applied Crystallography Vol. 54, No. 6 ( 2021-12-01), p. 1676-1697
    In: Journal of Applied Crystallography, International Union of Crystallography (IUCr), Vol. 54, No. 6 ( 2021-12-01), p. 1676-1697
    Abstract: Fisher information is a powerful mathematical tool suitable for quantification of data `informativity' and optimization of the experimental setup and measurement conditions. Here, it is applied to X-ray diffraction and an informational approach to choosing the optimal measurement configuration is proposed. The core idea is maximization of the information which can be extracted from the measured data set by the selected analysis technique, over the sets of accessible reflections and measurement geometries. The developed approach is applied to high-resolution X-ray diffraction measurements and microstructure analysis of multilayer samples, and its efficiency and consistency are demonstrated with the results of more straightforward Monte Carlo simulations.
    Type of Medium: Online Resource
    ISSN: 1600-5767
    Language: Unknown
    Publisher: International Union of Crystallography (IUCr)
    Publication Date: 2021
    detail.hit.zdb_id: 2020879-0
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  • 3
    Online Resource
    Online Resource
    International Union of Crystallography (IUCr) ; 2017
    In:  Journal of Applied Crystallography Vol. 50, No. 3 ( 2017-06-01), p. 776-786
    In: Journal of Applied Crystallography, International Union of Crystallography (IUCr), Vol. 50, No. 3 ( 2017-06-01), p. 776-786
    Abstract: Identification of unknown materials using X-ray powder diffraction patterns is a commonly used and well established technique with a number of proved implementations. Generally, qualitative phase analysis of X-ray diffraction data includes ranking of candidate phases on the basis of similarity of their diffraction patterns to the measured one. A standard strategy of such a ranking by algorithmization of manual search criteria may become inconvenient for modification and adaptation for problems that are not supported by our intuition. Here, the problem of providing physically grounded expressions for candidate phase ranking is addressed. The approach is based on calculation of Bayesian posterior probabilities of the phases' presence in the sample. The choice of the expressions for the prior probabilities for deviations of phases' diffraction patterns from database entries determines the degree of physical detailing and may be made according to the specifics of the problem being solved. It is shown that even for simple exponential expressions for prior probabilities the approach identifies the phases for IUCr round robin cases correctly, as well as ensuring sufficient robustness of the results with respect to diffraction peak shifts and intensity variations.
    Type of Medium: Online Resource
    ISSN: 1600-5767
    Language: Unknown
    Publisher: International Union of Crystallography (IUCr)
    Publication Date: 2017
    detail.hit.zdb_id: 2020879-0
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  • 4
    Online Resource
    Online Resource
    International Union of Crystallography (IUCr) ; 2015
    In:  Journal of Applied Crystallography Vol. 48, No. 3 ( 2015-06-01), p. 679-689
    In: Journal of Applied Crystallography, International Union of Crystallography (IUCr), Vol. 48, No. 3 ( 2015-06-01), p. 679-689
    Abstract: Modeling of the X-ray diffractometer instrumental function for a given optics configuration is important both for planning experiments and for the analysis of measured data. A fast and universal method for instrumental function simulation, suitable for fully automated computer realization and describing both coplanar and noncoplanar measurement geometries for any combination of X-ray optical elements, is proposed. The method can be identified as semi-analytical backward ray tracing and is based on the calculation of a detected signal as an integral of X-ray intensities for all the rays reaching the detector. The high speed of calculation is provided by the expressions for analytical integration over the spatial coordinates that describe the detection point. Consideration of the three-dimensional propagation of rays without restriction to the diffraction plane provides the applicability of the method for noncoplanar geometry and the accuracy for characterization of the signal from a two-dimensional detector. The correctness of the simulation algorithm is checked in the following two ways: by verifying the consistency of the calculated data with the patterns expected for certain simple limiting cases and by comparing measured reciprocal-space maps with the corresponding maps simulated by the proposed method for the same diffractometer configurations. Both kinds of tests demonstrate the agreement of the simulated instrumental function shape with the measured data.
    Type of Medium: Online Resource
    ISSN: 1600-5767
    Language: Unknown
    Publisher: International Union of Crystallography (IUCr)
    Publication Date: 2015
    detail.hit.zdb_id: 2020879-0
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  • 5
    Online Resource
    Online Resource
    IOP Publishing ; 2006
    In:  Japanese Journal of Applied Physics Vol. 45, No. 9B ( 2006-9-22), p. 7311-7314
    In: Japanese Journal of Applied Physics, IOP Publishing, Vol. 45, No. 9B ( 2006-9-22), p. 7311-7314
    Type of Medium: Online Resource
    ISSN: 0021-4922 , 1347-4065
    RVK:
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    RVK:
    Language: English
    Publisher: IOP Publishing
    Publication Date: 2006
    detail.hit.zdb_id: 218223-3
    detail.hit.zdb_id: 797294-5
    detail.hit.zdb_id: 2006801-3
    detail.hit.zdb_id: 797295-7
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  • 6
    Online Resource
    Online Resource
    International Union of Crystallography (IUCr) ; 2017
    In:  Acta Crystallographica Section A Foundations and Advances Vol. 73, No. a2 ( 2017-12-01), p. C555-C555
    In: Acta Crystallographica Section A Foundations and Advances, International Union of Crystallography (IUCr), Vol. 73, No. a2 ( 2017-12-01), p. C555-C555
    Type of Medium: Online Resource
    ISSN: 2053-2733
    Language: Unknown
    Publisher: International Union of Crystallography (IUCr)
    Publication Date: 2017
    detail.hit.zdb_id: 2020844-3
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  • 7
    Online Resource
    Online Resource
    International Union of Crystallography (IUCr) ; 2017
    In:  Journal of Applied Crystallography Vol. 50, No. 3 ( 2017-06-01), p. 681-688
    In: Journal of Applied Crystallography, International Union of Crystallography (IUCr), Vol. 50, No. 3 ( 2017-06-01), p. 681-688
    Abstract: Diffraction in multilayers in the presence of interfacial roughness is studied theoretically, the roughness being considered as a transition layer. Exact (within the framework of the two-beam dynamical diffraction theory) differential equations for field amplitudes in a crystalline structure with varying properties along its surface normal are obtained. An iterative scheme for approximate solution of the equations is developed. The presented approach to interfacial roughness is incorporated into the recursion matrix formalism in a way that obviates possible numerical problems. Fitting of the experimental rocking curve is performed in order to test the possibility of reconstructing the roughness value from a diffraction scan. The developed algorithm works substantially faster than the traditional approach to dealing with a transition layer (dividing it into a finite number of thin lamellae). Calculations by the proposed approach are only two to three times longer than calculations for corresponding structures with ideally sharp interfaces.
    Type of Medium: Online Resource
    ISSN: 1600-5767
    Language: Unknown
    Publisher: International Union of Crystallography (IUCr)
    Publication Date: 2017
    detail.hit.zdb_id: 2020879-0
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  • 8
    Online Resource
    Online Resource
    Trans Tech Publications, Ltd. ; 2014
    In:  Advanced Materials Research Vol. 996 ( 2014-8), p. 22-26
    In: Advanced Materials Research, Trans Tech Publications, Ltd., Vol. 996 ( 2014-8), p. 22-26
    Abstract: Oxide dispersive steel is a promising material for next nuclear reactors generation. Performance of this material in nuclear reactor can be modeled by means of irradiation by swift Bi ions, which are typical nuclear fusion products. Radiation damage results in microstructure alternation leading to formation of micro and macro stresses that influence the material performance. The residual stress state of ferrite matrix of the steel is investigated by XRD methodic and dependence on the irradiation dose is analyzed.
    Type of Medium: Online Resource
    ISSN: 1662-8985
    URL: Issue
    Language: Unknown
    Publisher: Trans Tech Publications, Ltd.
    Publication Date: 2014
    detail.hit.zdb_id: 2265002-7
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