Relevant bibliographies by topics / Quantitative X-ray diffraction (QXRD)

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Quantitative X-ray diffraction (QXRD)'

Author: Grafiati
Published: 10 December 2022
Last updated: 28 January 2023

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Journal articles on the topic "Quantitative X-ray diffraction (QXRD)"

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Bergese, P., I. Colombo, D. Gervasoni, and Laura E. Depero. "Assessment of the X-ray diffraction–absorption method for quantitative analysis of largely amorphous pharmaceutical composites." Journal of Applied Crystallography 36, no. 1 (January 21, 2003): 74–79. http://dx.doi.org/10.1107/s002188980201926x.

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Determination of the residual weight fraction of a crystalline drug in a largely amorphous pharmaceutical composite is still a challenging question. None of the quantitative X-ray diffraction (QXRD) methods found in the literature is suitable for these inclusion systems. The composite's diffraction patterns present a structured amorphous halo (arising from the amorphous matrix and drug molecular clusters) in which the crystalline drug peaks rise up. Moreover, the matrix traps a non-negligible quantity of water (which cannot be directly detected by X-ray diffraction) and the crystal structure of the drug may be unknown. In this work, a development of the QXRD analysis based on the diffraction–absorption technique is presented. The method is standardless, avoids the interpretation of the amorphous halo and the knowledge of the crystal structures of the phases, and takes into account the absorbed water. Results are in excellent agreement with those obtained by differential scanning calorimetry (DSC). The general features of the technique open its application to other classes of largely amorphous composite materials, like glass systems generated in the stabilization/solidification of toxic waste.
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Liao, Chang-Zhong, Lingmin Zeng, and Kaimin Shih. "Quantitative X-ray Diffraction (QXRD) analysis for revealing thermal transformations of red mud." Chemosphere 131 (July 2015): 171–77. http://dx.doi.org/10.1016/j.chemosphere.2015.03.034.

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Chen, Yanqiang, Chunxiang Qian, and Hengyi Zhou. "Characterization Methods for the Effect of Microbial Mineralization on the Microstructure of Hardened C3S Paste." Advances in Materials Science and Engineering 2020 (August 18, 2020): 1–9. http://dx.doi.org/10.1155/2020/7869345.

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Microbial mineralization has a significant effect on the hydration process of cement-based materials. This paper mainly studied the characterization methods for hydration degree and hydration product of C3S in hardened paste under microbial mineralization. Quantitative X-ray diffraction (QXRD), thermogravimetric analysis (TG), Fourier transform infrared spectroscopy (FT-IR), and electron backscatter diffraction (EBSD) were used and compared. The results showed that microbial mineralization increased the hydration degree of T-C3S. QXRD and EBSD could be used to characterize the content of C3S, and there were few differences between the two methods. TG could accurately characterize the content of Ca(OH)2 and CaCO3 at different depths of the sample, and FT-IR could qualitatively characterize the presence of Ca(OH)2 and CaCO3.
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Zagórska, Urszula, and Sylwia Kowalska. "Crystallization of simonkolleite (Zn5Cl2(OH)8 ∙ H2O) in powder samples prepared for mineral composition analysis by quantitative X-ray diffraction (QXRD)." Nafta-Gaz 77, no. 5 (May 2021): 293–98. http://dx.doi.org/10.18668/ng.2021.05.02.

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The analysis of mineralogical composition by quantitative X-ray diffraction (QXRD) is one of the standard research methods used in hydrocarbon exploration. In order to improve it and to obtain better results, the methodology of quantitative analysis used at Well Logging Department is being periodically (more or less) modified. After the introduction of the improvements, comparative analyses were performed on archival samples. Reflections from an unidentified phase which did not occur in the tested Rotliegend sandstone samples were noticed on X-ray diffractograms of archival samples. Reflections of a mineral called simonkolleite were identified in the X-ray diffraction database. Chemically it is a hydrated zinc chloride of the formula: Zn5Cl2(OH)8 × H2O. Analysis of the composition of samples in which simonkolleite crystallised, indicated that the mineral is being formed in the result of the slow reaction of zinc oxide with halite (NaCl) and water vapour. An attempt was made to determine the influence of the presence of this mineral on the results of the quantitative analysis of mineralogical composition. The above methodology was applied on a group of ten samples. The results of the quantitative analysis conducted for archival samples stored with added zincite standard containing simonkolleite and for new, freshly grinded (without artifact) samples were compared. The comparison of the obtained results showed a slight influence of this mineral on the quantitative composition of the remaining components. The difference between the results usually did not exceed the method error. At the same time a significant difference in the calculated content of the internal standard was noted – on average 1% less in archival than in new samples. This shows that the reaction occurring in the archival samples will affect the evaluation of the quality of the obtained quantitative analysis, at the same time excluding the possibility of determining the rock’s amorphous substance content with the internal standard method.
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Chatelier, Corentin, J. Wiskel, Douglas Ivey, and Hani Henein. "The Effect of Skelp Thickness on Precipitate Size and Morphology for X70 Microalloyed Steel Using Rietveld Refinement (Quantitative X-ray Diffraction)." Crystals 8, no. 7 (July 12, 2018): 287. http://dx.doi.org/10.3390/cryst8070287.

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Precipitates in thin-walled (11 mm) and thick-walled X70 (17 mm) microalloyed X70 pipe steel are characterized using Rietveld refinement (a.k.a. quantitative X-ray diffraction (QXRD)), inductively coupled plasma mass spectrometry (ICP), and energy-dispersive X-ray spectroscopy (EDX) analyses. Rietveld refinement is done to quantify the relative abundance, compositions, and size distribution of the precipitates. EDX and ICP analyses are undertaken to confirm Rietveld refinement analysis. The volume fraction of large precipitates (1 to 4 μm—mainly TiN rich precipitates) is determined to be twice as high in the thick-walled X70 steel (0.07%). Nano-sized precipitates (<20 nm) in the thin-walled steel exhibit a higher volume fraction (0.113%) than in the thick-walled steel (0.064%). The compositions of the nano-sized precipitates are similar for both steels.
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Honeyands, T., J. Manuel, L. Matthews, D. O’Dea, D. Pinson, J. Leedham, G. Zhang, et al. "Comparison of the Mineralogy of Iron Ore Sinters Using a Range of Techniques." Minerals 9, no. 6 (May 28, 2019): 333. http://dx.doi.org/10.3390/min9060333.

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Many different approaches have been used in the past to characterise iron ore sinter mineralogy to predict sinter quality and elucidate the impacts of iron ore characteristics and process variables on the mechanisms of sintering. This paper compares the mineralogy of three sinter samples with binary basicities (mass ratio of CaO/SiO2) between 1.7 and 2.0. The measurement techniques used were optical image analysis and point counting (PC), quantitative X-ray diffraction (QXRD) and two different scanning electron microscopy systems, namely, Quantitative Evaluation of Materials by Scanning Electron Microscopy (QEMSCAN) and TESCAN Integrated Mineral Analyser (TIMA). Each technique has its advantages and disadvantages depending on the objectives of the measurement, with the quantification of crystalline phases, textural relationships between minerals and chemical compositions of the phases covered by the combined results. Some key differences were found between QXRD and the microscopy techniques. QXRD results imply that not all of the silico-ferrite of calcium and aluminium (SFCA types) are being identified on the basis of morphology in the microscopy results. The amorphous concentration determined by QXRD was higher than the glass content identified in the microscopy results, whereas the magnetite and total SFCA concentration was lower. The scanning electron microscopy techniques were able to provide chemical analysis of the phases; however, exact correspondence with textural types was not always possible and future work is required in this area, particularly for differentiation of SFCA and SFCA-I phases. The results from the various techniques are compared and the relationships between the measurement results are discussed.
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Smith, Deane K., Gerald G. Johnson, Alexandre Scheible, Andrew M. Wims, Jack L. Johnson, and Gregory Ullmann. "Quantitative X-Ray Powder Diffraction Method Using the Full Diffraction Pattern." Powder Diffraction 2, no. 2 (June 1987): 73–77. http://dx.doi.org/10.1017/s0885715600012409.

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AbstractA new quantitative X-ray powder diffraction (QXRPD) method has been developed to analyze polyphase crystalline mixtures. The unique approach employed in this method is the utilization of the full diffraction pattern of a mixture and its reconstruction as a weighted sum of diffraction patterns of the component phases. To facilitate the use of the new method, menu-driven interactive computer programs with graphics have been developed for the VAX series of computers. The analyst builds a reference database of component diffraction patterns, corrects the patterns for background effects, and determines the appropriate reference intensity ratios. This database is used to calculate the weight fraction of each phase in a mixture by fitting its diffraction pattern with a least-squares best-fit weighted sum of selected database reference patterns.The new QXRPD method was evaluated using oxides found in ceramics, corrosion products, and other materials encountered in the laboratory. Experimental procedures have been developed for sample preparation and data collection for reference samples and unknowns. Prepared mixtures have been used to demonstrate the very good results that can be obtained with this method.
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Wei, Yong Qi, Wu Yao, and Wei Wang. "Effects of Internal Standards and Peak Profile Functions on Quantitative XRD Phase Analysis of Cement and its Hydrates." Key Engineering Materials 492 (September 2011): 424–28. http://dx.doi.org/10.4028/www.scientific.net/kem.492.424.

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Quantitative X-Ray diffraction (QXRD) combined with the Rietveld refinement method allows direct determination of crystalline phase content of cement and its hydrates. However, relatively precise results need the correction of proper internal standards and the use of matched peak profile functions with masterly refinement strategies. The aim of this paper is to research and discuss effects of these factors on the quantitative phase analysis results. For this purpose, different internal standards and peak profile functions with corresponding refinement strategies were attempted in experiments and refinements. The results indicate that Al2O3as internal standard is more suitable for cement and its hydrates than ZnO, and the better peak profile function is CW function 2 rather than function 3 in GSAS.
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Li, Jian, Robbie G. McDonald, Anna H. Kaksonen, Christina Morris, Suzy Rea, Kayley M. Usher, Jason Wylie, Felipe Hilario, and Chris A. du Plessis. "Applications of Rietveld-based QXRD analysis in mineral processing." Powder Diffraction 29, S1 (November 17, 2014): S89—S95. http://dx.doi.org/10.1017/s0885715614001134.

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Rietveld-based quantitative X-ray diffraction (QXRD) has been extensively used for mineralogical characterization in order to understand the reaction chemistry, and kinetics of minerals leaching and formation. This work presents examples where QXRD has been applied to understanding fundamental aspects of these two processes. Firstly, the co-processing of nickel laterites and sulphidic materials has the potential to offer several advantages that include the use of lower grade (including non-smeltable) concentrates, improvement in the rheological behaviour of the blends, and reduction in the use of sulphuric acid. The leaching kinetics and chemistry of mixed nickel laterite ore and sulphide concentrate were explored by the QXRD analysis of feed materials and, intermediates and final leach residues produced using controlled oxidation rates. Under high temperature (250 °C) and pressure oxidation (~40 to 45 atm.) conditions, sulphide minerals in the nickel concentrate underwent several oxidative hydrothermal transformations, and ferrous iron was oxidized and precipitated primarily as hematite. High recovery of nickel can be achieved with low acid consumption under these conditions. Secondly, iron precipitation/removal is an important down-stream process in hydrometallurgy. Moderate concentrations of ferrous iron can be oxidized using micro-organisms with oxidation rates several orders of magnitude faster compared with abiotic oxidation at ambient temperature and pressure. QXRD and chemical analysis have indicated that after oxidation, iron at pH ~2 mostly precipitates as jarosite with various amounts of K+, Na+, NH4+, and H3O+ incorporated into the structure. Bio-catalysed iron removal can be achieved with minimum copper and nickel losses at relatively low pH conditions.
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Wei, Yong Qi, and Wu Yao. "Quantitative Characterization of Hydration of Cement Pastes by Rietveld Phase Analysis and Thermoanalysis." Key Engineering Materials 539 (January 2013): 19–24. http://dx.doi.org/10.4028/www.scientific.net/kem.539.19.

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The quantitative characterization of hydration of cement pastes has always been one of focuses of researchers’ attention. Rietveld phase analysis (RPA), a combination of quantitative X-ray diffraction (QXRD) and the Rietveld method, supplies a tool of an enormous potential for that. Although a few of related researches were conducted by RPA, the reported attention was not paid to the neat cement paste with a low w/c ratio. Therefore, this work aimed at the quantitative study on hydration of such a cement paste chiefly by this method, meanwhile, cooperated with the hyphenated technique of thermogravimetry with differential scanning calorimetry (TG-DSC), as a spot check. Results indicated that RPA was a reliable method in quantitatively characterizing hydration of cement pastes, and gave a clear decription of evolution of all main crystal phases in cement pastes; and that the evolution of monosulphate(Afm_12) was also able to be tracked quantitatively. This will help to understand better the hydration mechanism of cement pastes, as well as to investigate quantitatively effects of mineral and chemical admixtures on hydration of composite cementitious systems.
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Dissertations / Theses on the topic "Quantitative X-ray diffraction (QXRD)"

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Vine, David John. "New quantitative methods in analyser-based phase contrast X-ray imaging." Monash University. Faculty of Science. School of Physics, 2008. http://arrow.monash.edu.au/hdl/1959.1/57830.

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New quantitative methods are developed for analyser-based phase contrast imaging (ABI) with hard X-rays. In the first instance we show that quantitative ABI may be implemented using an extended incoherent source. Next, we outline how complex Green’s functions may be reconstructed from phase contrast images and we apply this method to reconstruct the thick perfect crystal Green’s function associated with an ABI imaging system. The use of quantitative ABI with incoherent X-ray sources is not widespread and the first set of results pertains to the feasibility of quantitative ABI imaging and phase retrieval using a rotating anode X-ray source. The necessary conditions for observation of ABI phase contrast are deduced from elementary coherence considerations and numerical simulations. We then focus on the problem of extracting quantitative information from ABI images recorded using an extended incoherent X-ray source. The results of an experiment performed at Friedrich-Schiller University, Germany using a rotating anode X-ray source demonstrate the validity of our approach. It is shown that quantitative information may be extracted from such images under quite general and practicable conditions. We then develop a new use for phase contrast imaging systems that allows the Green’s function associated with a linear shift-invariant imaging system to be deduced from two phase contrast images of a known weak object. This new approach is applied to X-ray crystallography where the development of efficient methods of inferring the phase of rocking curves is an important open problem. We show how the complex Green’s function describing Bragg reflection of a coherent scalar X-ray wavefield from a crystal may be recovered from a single image over a wide range of reciprocal space simultaneously. The solution we derive is fast, non-iterative and deterministic. When applied to crystalline structures for which the kinematic scattering approximation is valid, such as thin crystalline films, our technique is shown to solve the famous one-dimensional phase retrieval problem which allows us to directly invert the Green’s function to retrieve the depth-dependent interplanar spacing. Finally we implement our Green’s function retrieval method on experimental data collected at the SPring-8 synchrotron in Hyogo, Japan. In the experiment we recorded analyser-based phase contrast images of a known weak object using a thick perfect silicon analyser crystal. It is then demonstrated that these measurements can be inverted to recover the complex Green’s function associated with the analyser crystal Bragg peak. The reconstructed Green’s function is found to be in good agreement with the prediction of dynamical diffraction theory.
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Loveridge, Andrew. "Quantitative analysis of shock propagation in crystals by use of time resolved x-ray diffraction." Thesis, University of Oxford, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.249492.

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OLIVEIRA, TEREZINHA FERREIRA DE. "ANALYSIS OF THE UNCERTAINTIES OF THE QUANTITATIVE PHASE ANALYSIS BY X-RAY POWDER DIFFRACTION BASED ON THE RIETVELD METHOD." PONTIFÍCIA UNIVERSIDADE CATÓLICA DO RIO DE JANEIRO, 2005. http://www.maxwell.vrac.puc-rio.br/Busca_etds.php?strSecao=resultado&nrSeq=6377@1.

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COORDENAÇÃO DE APERFEIÇOAMENTO DO PESSOAL DE ENSINO SUPERIOR
UNIVERSIDADE FEDERAL DA BAHIA
A análise de sistemas de medição consiste do exame da adequação do sistema quanto ao operador, ao instrumento e a outras fontes de variação, bem como da comparação da variância do erro de medição com a variância natural do processo. Nesse aspecto, esta pesquisa teve por objetivo a análise das incertezas da quantificação de fase pelo método de Rietveld em análise de pó. Os efeitos de vários fatores na quantificação de fase foram avaliados utilizando técnicas estatísticas de planejamento experimental e de análise multivariada, com a utilização de materiais de alto nível de rastreabilidade na realização dos experimentos, no Laboratório de difração de raios X do Departamento de Ciências de Materiais e Metalurgia da PUC-Rio. Através da determinação do construto de variação do processo, constatou-se que a quantificação das fases analisadas sofre influência das condições de medição de forma diferenciada de material para material, impossibilitando a obtenção de uma fórmula geral para cálculo dos erros de quantificação, embora os erros possam ser determinados por uma análise de repetitividade e reprodutibilidade apropriadamente conduzida.
The analysis of measurement systems is done by the examination of the adequacy of the system according to the operator, the instrument and other sources of variability, as well as by the comparison of the measurement error variance with the natural process variance. This research consisted in the evaluation of the uncertainties of phase quantification in powder analysis by the Rietveld method. The evaluation of the effects of several factors on the phase quantification was performed using statistical techniques of design of experiments and of multivariate analysis, with the use of materials of high level of traceability for the conduction of the experiments, in the Laboratory of X-ray Diffraction of the Pontifícia Universidade Católica do Rio de Janeiro. Through the determination of the variational structure of the process it was verified that the analyzed phases suffer influence of the measurement conditions in a differentiated way, which prevents the obtention of a general formula for calculation of the quantification error, although the errors can be determined by a repeatability and reproducibility analysis properly conducted.
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Fawad, Salman Kohar. "Quantitative analysis of multi-phase systems -steels with mixture of ferrite and austenite." Thesis, Linköping University, The Department of Physics, Chemistry and Biology, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-2681.

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The goal of this work has been to evaluate the different experimental techniques used for quantitative analysis of multi-phase materials systems.

Powder based specimens containing two-phases, austenite and ferrite , were fabricated and quantified. The volume fraction of ferrite varied from 2 Vol% to 50 Vol%.

X ray powder diffraction (XRD) measurements were based on two peak analysis. Computer based software Topas was used for quantitative analysis, which is believed to be the most advanced in this field. XRD results were found within the absolute limit of +/- 4% of given ferrite volume fraction. Volume fraction as low as 2 Vol% was successfully detected and quantified using XRD. However, high statistical error was observed in case of low volume fraction, such as 2 Vol% and 5 Vol% ferrite volume fraction.

Magnetic balance (MB) measurements were performed to determine the volume fraction of magnetic phase, ferrite. MB results were found in good agreement with given volume fractions. As low as 2 Vol% volume fraction was detected and quantified with MB. MB results were within the absolute limit of +/- 4% of given ferrite volume fraction.

Image analysis (IA) was performed after proper sample preparation as required by electron backscatter diffraction (EBSD) mode of Scanning electron microscopy (SEM). IM results were found within the absolute limit of +/- 2 % of given ferrite volume fraction. However, high statistical error was observed in case of 2 Vol% volume fraction.

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Ugbo, Justin Petroleum Engineering Faculty of Engineering UNSW. "A new model for evaluating water saturation in shaly sand reservoirs using quantitative x-ray diffraction and cation exchange capacity cliff head field, Western Australia." Awarded by:University of New South Wales. Petroleum Engineering, 2007. http://handle.unsw.edu.au/1959.4/40443.

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Interpretation problems are commonly associated with calculating water saturation in nonhomogenous shaly sand reservoirs. Redefining petrophysical properties based on well logs in shaly sand reservoirs by using fundamental geologic attributes is an important tool in developing subsurface hydrocarbon resources. Studies of the electrical anisotropy of shaly sands have shown that the level of our understanding and our ability to correctly evaluate low resistivity and low contrast pay can be greatly improved. The model developed in this thesis is similar in form to the shaly sand Dual Water model by Clavier et al. (1984). It is an experiment based model designed to directly assess and quantify the mineralogical and electrical effects of clay minerals in heterogeneous reservoirs. Clay minerals usually have multiple effects on petrophysical properties obtained from geophysical well log measurements. The total expansible clay model evaluates these effects via direct measurement of independent mineralogy and conductivity of clay minerals within reservoir sands. This model integrates the following as an effective basis for characterizing shaly sand reservoirs: ??? Rietveld based Siroquant assay for quantitative X-ray diffraction, used in determining mineral percentages from standard XRD trace patterns, ??? Cation exchange capacity, used to determine the quantity of cations involved in the exchange at the shale-water interface, ??? Porosity, permeability, density and resistivity measurements, ??? Thin section petrography, used in identifying mineral patterns, visible porosity and reservoir quality. Overall, application of correlations drawn from the model yields improved results for water saturation which appeared consistent with those earlier calculated using known water saturation models (Clavier et al Dual Water model, 1984, Juhasz, 1981). A total of twenty three samples from two wells in the Cliff Head fIeld were analyzed for this study.
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Barhli, Selim Matthias. "Advanced quantitative analysis of crack fields, observed by 2D and 3D image correlation, volume correlation and diffraction mapping." Thesis, University of Oxford, 2017. https://ora.ox.ac.uk/objects/uuid:d6240241-8a1e-4a8e-aff0-4a2ef14b0da7.

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This thesis is concerned with the evaluation, in-situ, of the elastic strain energy release rate of cracks. This can define the criteria for crack propagation, and it is usually necessary to obtain this via calculation from the geometry and applied load. A new method is proposed, based on the conjoint use of digital image correlation to measure full-field displacements and finite element to extract the strain energy release rate of surface cracks. It has been extended to 3-D datasets with the use of digital volume correlation and tomographic imaging. A finite element model with imported full-field displacements measured by DIC/DVC acting as boundary conditions is solved and the J-integral is calculated. For linear elastic materials, modal contributions can be separated via the interaction integral. The method has been benchmarked using synthetic datasets to assess its sensitivity to noise and experimental uncertainties. It is very robust to experimental noise and can be used without knowledge of the specimen geometry and applied loads. The application of the method in 2-D is demonstrated in an analysis of experimental data for a mode I fatigue crack, introduced to an aluminium alloy compact tension specimen. Analysis of mixed-mode cracks in 2-D is shown on a PMMA sample with the Arcan geometry. In 3-D, static loading of a fatigue crack in nodular graphite cast iron is studied and the results from the method are compared with those obtained via a field-fitting approach. Diffraction analysis of polycrystalline materials can determine the full tensor of the elastic strains within them. Maps of elastic strains can thus be obtained typically using synchrotron X-rays or neutrons. A method is presented to calculate the elastic strain energy release rate of a crack from 2-D diffraction strain maps. The diffraction data is processed via a finite element approach to obtain the parameters required to calculate the $J$-integral. A validation is presented using a synthetic dataset from a finite element model. Its experimental application is demonstrated in an analysis of synchrotron X-ray diffraction strain maps of a propagating fatigue crack in a bainitic steel, before and after an overload. Finally, a complex case study of stable fracture propagation in polygranular isotropic nuclear graphite is presented. Synchrotron X-ray tomography and strain mapping by diffraction were combined with DVC and image analysis to extract the full-field displacements and elastic crystal strains. The displacement fields have been analysed using the developed methods to extract the critical strain energy release rate for crack propagation. Non-linear properties described the effect of microcracking on the elastic modulus in the fracture process zone. The analysis was verified by comparison of the predicted and measured elastic strain fields.
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Gay, Marine. "Développement de nouvelles procédures quantitatives pour une meilleure compréhension des pigments et des parois des grottes ornées préhistoriques." Thesis, Paris 6, 2015. http://www.theses.fr/2015PA066236/document.

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A travers l’étude par fluorescence X et diffraction de rayons X de trois grottes ornées Paléolithiques en rapport avec les questionnements des archéologues, c’est un travail de recherche physico-chimique autant que méthodologique qui est présenté au lecteur. La complexité analytique qu’il y a derrière l’étude in situ et non-invasive d’un art rupestre, a guidé notre réflexion sur le développement de procédures de traitement quantitatif des données, adaptées au site étudié (nature des pigments analysés, condition de conservation des œuvres). Cette complexité vient du fait qu’une couche picturale, tracée sur un support rocheux, est discontinue et ne recouvre pas uniformément la roche. Elle est de plus généralement peu épaisse. Pour ces raisons, une forte contribution de la paroi se retrouve dans l’information physico-chimique propre au pigment.Trois approches différentes ont ainsi été proposées pour approcher la matière picturale des grottes de Rouffignac et de Font-de-Gaume, situées en Périgord dans le sud-ouest de la France, et de la grotte de La Garma, localisée dans la région Cantabrique dans le nord de l’Espagne. L’une consiste en la semi-quantification d’oxydes discriminant le pigment de la paroi, bouclés à cent pourcent, permettant de s’affranchir de paramètres propres aux conditions expériences ; une deuxième est une semi-quantification par rapport à l’élément calcium, de sorte que la contribution de la paroi à travers la couche picturale reste la même d’un point de mesure à l’autre ; la dernière adopte une approche par simulation Monte Carlo afin de séparer clairement les informations de la paroi de celles du pigment. L’application de ces approches quantitatives a permis d’enrichir la connaissance stylistique que les archéologues en avaient, en apportant une vision physico-chimique à l’organisation des œuvres au sein de la grotte et des relations qu’elles entretiennent les unes avec les autres. Ce travail s’ouvre également au milieu karstique lui-même en intégrant à l’étude de l’art pariétal, un travail sur la genèse des faciès des parois. Le but étant d’acquérir le recul nécessaire pour mieux évaluer les interactions entre support et œuvres, et l’évolution des supports ornés, resituées dans leur contexte karstique général
The present study is a physicochemical research as well as a methodological work, carried out through the study of three Palaeolithic caves by X-ray fluorescence and X-ray diffraction. The analytical complexity behind in situ and non-invasive study of rock art, has guided our reflexion about the development of quantitative procedures of data processing, in order to adjust them appropriately to the specificity of the site and its rock art (specific constitution of the analysed pigment and conservation condition of the ornamented wall). This complexity is due to the fact that pigment layers don’t cover uniformly the rock surface. Also, the layers are generally very thin. For this reason, in the pigment signal, the proportion of the physicochemical information specific to the substrate is very high.Three approaches have been tested in the caves of Rouffignac, Font-de-Gaume and La Garma to characterise their Palaeolithic rock art. The two first are located in the Périgord region in the south-west of France, the last one in the Cantabrian region of Spain. One is related to the semi-quantification of oxides which discriminate the pigment from the substrate, allowing to not taking account experimental condition parameters; the second is a semi-quantification related to Ca, in order that the contribution in the concentration of the substrate detected through the paint layer remains the same for each measurement point; the last one is based on a Monte Carlo simulations method to separate distinctly the pigment information to those from the wall. These quantitative approaches enhanced the stylistic knowledge of archaeologists, bringing new physicochemical insights into the organisation of the representations and their relationship with the others inside the cave. Also, this work is concerned by the karstic environment; incorporating a research on wall taphonomy to the pigment study. The aim is to access to a better appreciation of the pigment-wall interactions and their evolution during time, given their global environmental context
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FERNANDES, ALBERTO de A. "Síntese de zeolitas e wolastonita a partir da cinza da casca do arroz." reponame:Repositório Institucional do IPEN, 2006. http://repositorio.ipen.br:8080/xmlui/handle/123456789/11429.

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Tese (Doutoramento)
IPEN/T
Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP
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Ratier, Alexis. "Détermination de l'historique de chargement d'une pièce rompue ou fissurée en service." Thesis, Tours, 2017. http://www.theses.fr/2017TOUR4008.

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Le but de la thèse est de déterminer l’historique de chargement d’une pièce rompue ou fissurée en service, par analyse des surfaces de fissuration. Pour les analyses de défaillances, les enjeux sont de définir le rôle du chargement dans la défaillance et de déterminer la fraction de durée de vie atteinte lors de la détection de la fissure. Un enjeu complémentaire est d’enrichir la base de données de chargements en service. L’organe choisi pour cette étude est l’essieu-axe ferroviaire. Ainsi, la sollicitation étudiée est en flexion rotative et les matériaux considérés sont les aciers A4T (25CrMo4) et A1N (C40). Suite à une revue bibliographique, quatre méthodes d’analyse quantitative des surfaces de fissuration ont été ciblées et testées, deux ont été retenues et développées. La première est basée sur la quantification des faciès de rupture (stries de fatigue, cupules, fissures secondaires…). La seconde s’appuie sur l’analyse des contraintes résiduelles (fractographie X) en profondeur pour déterminer l’épaisseur de matériau plastifié sous la surface de rupture. Cette profondeur correspond au sillage plastique induit par la propagation de la fissure et est fonction du chargement recherché
The aim of the thesis is to determine the loading history of a broken or cracked piece in service, by analysing the cracking surfaces. For failure analyses, the issues are to define the role of the loading in the failure and to determine the fraction of lifespan reached when the crack is detected. An additional issue is to expand the in-service loadings database. The component chosen for this study is the railway axle. Thus, the studied stress is in alternate bending and the considered materials are the steels A4T (25CrMo4) and A1N (C40). Following a bibliographic review, four methods for quantitative analysis of cracking surfaces were targeted and tested, two of which were selected and developed. The first one is based on the quantification of fractographic features (fatigue striations, dimples, secondary cracks...). The second is based on the in-depth analysis of the residual stresses (X-ray fractography) to determine the thickness of plasticized material below the fracture surface. This depth corresponds to the plastic wake induced by the crack propagation and is a function of the sought loading
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Gobbo, Luciano de Andrade. "Os compostos do clínquer Portland: sua caracterização por difração de raios-X e quantificação por refinamento de Rietveld." Universidade de São Paulo, 2003. http://www.teses.usp.br/teses/disponiveis/44/44133/tde-09102003-112552/.

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O projeto enfocou a aplicação da difração de raios-X (DRX) na caracterização e quantificação dos compostos cristalinos do clínquer de cimento Portland, através do método de Rietveld, constituindo-se em contribuição pioneira sobre o tema em âmbito nacional. Foram utilizadas 40 amostras de clínquer provenientes de cinco diferentes unidades fabris, visando ampla representatividade do material de estudo. O clínquer de cimento Portland é o material sinterizado e peletizado, resultante da calcinação de uma mistura adequada de calcário e argila e, eventualmente, de componentes corretivos. Os compostos metaestáveis do clínquer Portland podem ser subdivididos em três grupos distintos: os silicatos cálcicos (C3S e C2S), a fase intersticial (C4AF, C3A, C12A7), e o grupo dos componentes menos freqüentes como o periclásio, a cal livre e os sulfatos. As proporções destes compostos são parâmetros importantes no controle de processo industrial de clinquerização. O método de Rietveld tem por base a simulação de todo o perfil difratométrico a partir de parâmetros estruturais das fases constituintes, permitindo refinar parâmetros de natureza instrumental e cristalográfica. A comparação do difratograma calculado com o observado e redução das diferenças através do método de mínimos quadrados permitem a obtenção de resultados quantitativos. DRX-Rietveld apresentou-se como uma técnica de quantificação de elevada reprodutibilidade com vantagens de cunho técnico e logístico com relação aos dois métodos correntemente utilizados no Brasil (microscopia e cálculo potencial de Bogue). Técnicas analíticas adicionais permitiram comparar resultados quantitativos obtidos por DRX-Rietveld e também correlacionar características dos compostos com o seu perfil difratométrico. A microscopia óptica foi a técnica de maior importância para comparações tanto qualitativas como quantitativas. A microscopia eletrônica (MEV-EDS) permitiu a aferição de fases não identificadas por microscopia óptica, como o C12A7 e sulfatos. A técnica de dissolução seletiva, aplicada para a concentração da fase intersticial, deu suporte para a aferição quantitativa de teores de polimorfos do C3A. A técnica mostrou resultados coerentes com a microscopia e o cálculo potencial de Bogue, sendo que constituintes não quantificados nestes puderam ser introduzidos (C12A7 e sulfatos), bem como possibilitou a distinção entre polimorfos de um mesmo composto (C3A). A redução no tempo de análise e a diminuição da subjetividade das análises, face às metodologias usuais, constituem fatores importantes da técnica visando atender os interesses da indústria do cimento.
The project has focused on the application of X-ray diffraction (XRD) on the characterization and quantification of the Portland cement clinker crystalline compounds using the Rietveld method. The present research represents a pioneer scientific contribution on the theme in Brazil. Overall forty clinker samples from five distinct kiln lines were collected for analysis aiming to get a broad representativeness of various cement process parameters. Portland cement clinker is the sintered and pelletized product from calcination of an adequate mix of limestone and clay and minor corrective materials. The metastable Portland clinker compounds are subdivided into three main groups: calcium silicates (C3S and C2S), matrix (C4AF, C3A, C12A7) and minor components as periclase, free lime and sulfates. The proportioning of these phases are important parameters to the industry clinkering process. The Rietveld XRD method is based on the simulation of the whole diffraction spectrum from the components structural data, allowing for refining instrumental and crystallographic parameters. By comparing the calculated and actual diffractograms and minimizing differences mathematically through a least squares method quantitative values are obtained. The Rietveld XRD has shown to be a high reproducible quantification technique, with technical and logistics advantages in comparison to the more usual microscopy and Bogue potential calculation. Additional analytical techniques have given reference data to compare quantitative results obtained from Rietveld XRD and to correlate characteristics of the compounds with their diffractogram profile. Optical microscopy was the most relevant technique for comparison both qualitative and quantitatively. Scanning electronic microscopy - energy dispersive system has allowed recognition of phases that could not otherwise be identified by optical microscopy, like C12A7 and sulfates. Selective dissolution of silicates carried out in order to concentrate matrix compounds sustained the quantitative results of C3A polimorphs found by Rietveld XRD. Rietveld has shown coherent results with both microscopy and Bogue potential calculation, but additionnally made it possible quantifying other compounds like C12A7 and sulfates, as well as distinguishing C3A polimorphs. The significant time saving and subjectivity minimization it provides makes up key-factors for the cement industry needs.
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Books on the topic "Quantitative X-ray diffraction (QXRD)"

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Zevin, Lev S. Quantitative X-Ray Diffractometry. New York, NY: Springer US, 1995.

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Zevin, Lev S. Quantitative X-ray diffractometry. New York: Springer, 1995.

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Algaedi, Uonis. The Quantitative determination of talc in metal concentrates using x-ray diffraction method. Sudbury, Ont: Laurentian University, 1993.

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Guest, Jodie. An evaluation of Standardless Rietveld Refinement for quantitative analysis of binary mixtures by X-Ray powder diffraction. Wolverhampton: University of Wolverhampton, 2000.

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Davis, Briant L. Reference Intensity Method of Quantitative X-Ray Diffraction Analysis. Davis Consulting, 1988.

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Bishop, H. E. The Effects of Photoelectron Diffraction on Quantitative X-ray Photoelectron Spectroscopy. European Communities / Union (EUR-OP/OOPEC/OPOCE), 1991.

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Deshpande, U. P., T. Shripathi, and A. V. Narlikar. Iron-oxide nanostructures with emphasis on nanowires. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533053.013.23.

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This article examines the properties of iron-oxide nanostructures, with particular emphasis on nanowires. It begins with an overview of iron-oxide nanostructures and nanowires, followed by a discussion of the synthesis of aligned ?-Fe2O3 nanowires and nanosheets by a simple thermal oxidation route. It then describes the preferential bending of [110] grown ?-Fe2O3 nanowires about the C-axis and quantitative estimation of nanowire alignment using X-ray diffraction and grazing incidence X-ray diffraction. It also considers the growth mechanism of ?-Fe2O3 nanowires and nanosheets, different nanowire morphologies, rotational slip in ?-Fe2O3 nanosheets, and the influence of local environment and substrate microstructure on nanowire growth.
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Book chapters on the topic "Quantitative X-ray diffraction (QXRD)"

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Suryanarayana, C., and M. Grant Norton. "Quantitative Analysis of Powder Mixtures." In X-Ray Diffraction, 223–36. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4899-0148-4_10.

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Dish, D. L. "Quantitative X-Ray Diffraction Analysis of Soils." In Quantitative Methods in Soil Mineralogy, 267–95. Madison, WI, USA: Soil Science Society of America, 2015. http://dx.doi.org/10.2136/1994.quantitativemethods.c9.

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Bish, David L., and Steve J. Chipera. "Accuracy in Quantitative X-Ray Powder Diffraction Analyses." In Advances in X-Ray Analysis, 47–57. Boston, MA: Springer US, 1995. http://dx.doi.org/10.1007/978-1-4615-1797-9_5.

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Schulze, D. G. "Differential X-Ray Diffraction Analysis of Soil Minerals." In Quantitative Methods in Soil Mineralogy, 412–29. Madison, WI, USA: Soil Science Society of America, 2015. http://dx.doi.org/10.2136/1994.quantitativemethods.c13.

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Davis, Briant L. "Pc Software for Rem Quantitative X-Ray Diffraction Analysis." In Advances in X-Ray Analysis, 589–97. Boston, MA: Springer US, 1997. http://dx.doi.org/10.1007/978-1-4615-5377-9_64.

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Davis, Briant L., and L. Ronald Johnson. "The use of Mass Absorption in Quantitative X-Ray Diffraction Analysis." In Advances in X-Ray Analysis, 333–42. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4613-1935-1_40.

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Pardue, E. B. S., and R. H. McSwain. "X-Ray Diffraction Stress Analysis as an NDE Technique." In Review of Progress in Quantitative Nondestructive Evaluation, 1421–28. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-0979-6_65.

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Davis, Briant L. "The Estimation of Limits of Detection in RIM Quantitative X-ray Diffraction Analysis." In Advances in X-Ray Analysis, 317–23. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-1035-8_34.

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Jones, R. C., and H. U. Malik. "Analysis of Minerals in Oxide-Rich Soils by X-Ray Diffraction." In Quantitative Methods in Soil Mineralogy, 296–329. Madison, WI, USA: Soil Science Society of America, 2015. http://dx.doi.org/10.2136/1994.quantitativemethods.c10.

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Lipetzky, K. G., R. E. Green, R. W. Armstrong, and W. T. Beard. "The Evaluation of Quartz Resonators Via X-Ray Diffraction Topography." In Review of Progress in Quantitative Nondestructive Evaluation, 2079–86. Boston, MA: Springer US, 1999. http://dx.doi.org/10.1007/978-1-4615-4791-4_266.

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Conference papers on the topic "Quantitative X-ray diffraction (QXRD)"

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Cornejo, Mauricio H., Jan Elsen, Bolivar Togra, Haci Baykara, Guillermo Soriano, and Cecilia Paredes. "Effect of Calcium Hydroxide and Water to Solid Ratio on Compressive Strength of Mordenite-Based Geopolymer and the Evaluation of its Thermal Transmission Property." In ASME 2018 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/imece2018-87625.

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Mordenite-rich tuff is one of most available zeolitic rocks all over the world. Because of this, the research of natural mordenite as a raw material of geopolymeric materials can provide an almost unlimited source of solid precursor for manufacturing such building materials. Despite efforts to shed light on the behaviour of mordenite-rich tuff during geopolymeric reaction, the performance of these novel materials is barely understood. The aim of this study is to explore the effect of the content of calcium hydroxide, CH, and water-to-solid ratio, W/S, as mixing parameters on compressive strength of mordenite-based geopolymers, MBG, and its thermal conductivity. As solid precursor was used mordenite-rich tuff and mixed with sodium hydroxide (NaOH) at 10M that kept constant during the experiment. Two experimental parameters were selected as independent variables i.e, the content of CH and water-to-solid ratio, and their levels, according to a central composite experimental design. All these designed mixes were characterized by using quantitative X-ray diffraction (QXRD), Fourier Transform Infrared spectroscopy (FTIR), Thermogravimetry and differential scanning calorimetry (TGA-DSC), scanning electron microscopy coupled with energy dispersed spectroscopy (SEM-EDS), in addition thermal conductivity tests were also run according to standard method ASTM C177 at 9, 24, 39°C. The overall results suggested that MBG can be used as building material, however its thermal conductivity was higher than that of commercial isolate building material. The experimental design analysis indicated that the optimum water-to-solid ratio was 0.35, but in the case of the content of CH, the optimum value was not observed on this experimental range because the compressive strength increased as the content of CH increased as well. The compressive strength of MBG was observed in the range between 8.7 and 11.3 MPa. On the other hand, QXRD and FTIR showed that mordenite reacted during the geopolymeric reaction, but instead quartz, also found in zeolitic tuff, acted as inert filler.
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Gawor, S., J. B. Wiskel, D. G. Ivey, J. Liu, and H. Henein. "Time Dependence of Hydrogen Induced Cracking of X70 Pipeline Steel Under Severe and Mild Sour Service Conditions Using Ultrasonic Analysis." In 2020 13th International Pipeline Conference. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/ipc2020-9787.

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Abstract A standard NACE hydrogen induced crack test was used to evaluate the resistance of two compositions of X70 steel (X70-X (Ca/S ratio of 2.5) and X70-B (Ca/S ratio of &lt; 0.5)) under severe (pH = 2.7 and 100% H2S) and mild (pH = 5.5 and 100% H2S) sour service conditions. An ultrasonic technique was developed to quantify the severity of hydrogen cracking in both steels as a function of test conditions, steel type and time. In this procedure, a series of local ultrasonic measurements was taken for each test sample to determine a local crack to backwall signal ratio (LCBR). The LCBR values were integrated over the entire sample to give a global crack to backwall ratio (GCBR). A larger GCBR value corresponds to greater hydrogen cracking severity in the sample. Energy dispersive X-ray (EDX) spectroscopy and glancing angle X-ray diffraction (XRD) were used to characterize the surface corrosion products that formed during testing. For severe sour service conditions, the GCBR value reached an asymptotic value of approximately 33% and 47% for X70-X (after 4 days) and X70-B (after 2 days) steels, respectively. For mild sour service conditions, no cracking was observed for testing of less than 16 days. After 32 days, X70-B showed a GCBR of approximately 18%. The onset of cracking of X70-X steel occurred between 32 and 64 days. Samples tested for 64 days showed a GCBR of 30% and 16% for X70-X and X70-B, respectively. Glancing XRD measurements showed the presence of surface FeS on both steels tested under mild sour service. Quantitative XRD (QXRD) analysis was used to obtain the surface coverage of FeS as a function of test time. EDX mapping confirmed the presence of a high sulfur content over a significant fraction of the surface. XRD measurements of X70-B steel under severe sour service after 8 days did not show a significant amount of FeS. The surface FeS is believed to alter hydrogen ingress into the steel, making it difficult to directly compare measured GCBR values obtained under mild and severe sour service.
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Anghel, Ioana, Crina Bucur, Stuart D. Ware, and Margarit Pavelescu. "The Importance of Geochemical Characterization of Repository Host Horizons for Radioactive Waste Disposal: Saligny Repository Site for L/ILW, Romania." In ASME 2003 9th International Conference on Radioactive Waste Management and Environmental Remediation. ASMEDC, 2003. http://dx.doi.org/10.1115/icem2003-4760.

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The Saligny Site, situated in the vicinity of the Cernavoda Nuclear Power Plant in Romania, has been chosen as a repository site for placement of future Low and Intermediate Level Nuclear Waste. Scientific investigations are on going to help assess the long-term performance of the nuclear waste repository and include the development of a site conceptual model, geochemical characterization of the proposed liner material and the geologic formations surrounding the repository. Geochemical characteristics of the proposed waste site and of repository liner material are essential information in providing key model parameters needed to determine the mechanisms and rates for the potential release and transport of radionuclides in the environment. A series of laboratory sorption and diffusion experiments in support of the site conceptual model were run at Los Alamos National Laboratory, USA and Institute for Nuclear Research, Romania. These experiments compared responses of cesium-137 and tritiated water as radionuclides, and included natural soil samples from Saligny site and cement liner material. Sorption experiments focused on studying the affinity of cesium-137 for soil samples from: a clay rich loess horizon, a compacted red clay horizon and a Portland type cement, proposed as liner for the repository. A Saligny synthetic water was used for the soil sorption experiments. For the cement sorption and diffusion experiments, NaCl 10mM water was necessary in order to avoid insolubility problems at the high pH (around 12) when in contact with the cement. Preliminary studies of the geochemistry for radionuclide-soil matrix and radionuclide-concrete liner interactions were obtained through the sorption and diffusion experiments. The sorption isotherms were linear for all samples with high Kd values for soil samples and low values for the cement. Mineralogical information obtained through quantitative X-ray diffraction (QXRD) analysis, for the studied soil samples were in agreement with the sorption results. The high amount of clay present in the soil samples was determined to be the main contributor for the strong sorption. Diffusion cells were prepared for comparing hydrologic response characteristics for tritiated water and cesium-137, through the measurement of diffusion coefficients as influenced by the soil and cement matrices. Tritiated water and cesium-137 diffusion coefficients were determined from the change in radionuclide concentration profile over time while diffusing through the soil or cement matrix, and were found in agreement with the values listed in literature findings.
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Agrawal, A. K., B. Singh, Y. S. Kashyap, Mayank Shukla, P. S. Sarkar, and Amar Sinha. "Diffraction enhance x-ray imaging for quantitative phase contrast studies." In DAE SOLID STATE PHYSICS SYMPOSIUM 2015. Author(s), 2016. http://dx.doi.org/10.1063/1.4947818.

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Chi, Cuong Le, Son Nguyen Hung, Nguyen La Ly, and Tuyen Luu Anh. "Phase Quantitative Computation for Multi-Phase Materials by Means of X-Ray Diffraction." In 2016 3rd International Conference on Green Technology and Sustainable Development (GTSD). IEEE, 2016. http://dx.doi.org/10.1109/gtsd.2016.44.

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Li, X., J. B. Wiskel, H. Henein, D. G. Ivey, and O. Omotoso. "Characterization of Microstructure in High Strength Microalloyed Steels Using Quantitative X-Ray Diffraction." In 2008 7th International Pipeline Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/ipc2008-64643.

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The mechanical properties of microalloyed steels used in pipelines are strongly affected by microstructure. In this paper, X-ray diffraction (Rietveld method) was used to quantify the microstructure — specifically domain size, microstrain and preferred orientation — for four X80 steels and three experimental X100 steels. Measurements were made at the surface and at several positions below the surface. Nano-sized domains were obtained for all steels tested. A smaller domain size, higher microstrain and stronger preferred orientation were observed in the X100 samples relative to the X80 steels.
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Whitesell, R., A. McKenna, S. Wendt, and J. Gray. "Volumetric measurement of residual stress using high energy x-ray diffraction." In 42ND ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION: Incorporating the 6th European-American Workshop on Reliability of NDE. AIP Publishing LLC, 2016. http://dx.doi.org/10.1063/1.4940584.

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Zhang, Zhan, Scott Wendt, Nicholas Cosentino, and Leonard J. Bond. "Nondestructive strain depth profiling with high energy X-ray diffraction: System capabilities and limitations." In 44TH ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOLUME 37. Author(s), 2018. http://dx.doi.org/10.1063/1.5031635.

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Crews, Chiaki C. E., Daniel O'Flynn, Aiden Sidebottom, and Robert D. Speller. "Quantitative energy-dispersive x-ray diffraction for identification of counterfeit medicines: a preliminary study." In SPIE Sensing Technology + Applications, edited by Mark A. Druy, Richard A. Crocombe, and David P. Bannon. SPIE, 2015. http://dx.doi.org/10.1117/12.2176738.

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Ostapenko, Marina, and Ludmila Meisner. "X-ray diffraction method for quantitative estimation of elastic modulus in materials with gradient structure." In PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES 2019. AIP Publishing, 2019. http://dx.doi.org/10.1063/1.5132124.

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Reports on the topic "Quantitative X-ray diffraction (QXRD)"

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Kuchinski, Madeline A., Camden R. Hubbard, and Carl Robbins. Certification of SRM 1879 respirable cristobalite as a quantitative x-ray diffraction SRM. Gaithersburg, MD: National Bureau of Standards, 1988. http://dx.doi.org/10.6028/nbs.ir.88-3742.

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Stutzman, Paul E., and Leslie Struble. Instructions in Using GSAS Rietveld Software for Quantitative X-ray Diffraction Analysis of Portland Clinker and Cement. National Institute of Standards and Technology, June 2015. http://dx.doi.org/10.6028/nist.tn.1884.

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Carson, C. J., E. Grosjean, G. Butcher, S. Webber, S. Gilmore, and P. A. Henson. Exploring for the Future – Quantitative X-ray diffraction data release of NDI Carrara 1, South Nicholson region, Northern Territory. Geoscience Australia, 2022. http://dx.doi.org/10.11636/record.2022.005.

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Chipera, S. J., and D. L. Bish. Quantitative x-ray diffraction analyses of samples used for sorption studies by the Isotope and Nuclear Chemistry Division, Los Alamos National Laboratory. Office of Scientific and Technical Information (OSTI), September 1989. http://dx.doi.org/10.2172/137526.

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Caritat, P. de, and U. Troitzsch. Towards a regolith mineralogy map of the Australian continent: a feasibility study in the Darling-Curnamona-Delamerian region. Geoscience Australia, 2021. http://dx.doi.org/10.11636/record.2021.035.

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Bulk quantitative mineralogy of regolith is a useful indicator of lithological precursor (protolith), degree of weathering, and soil properties affecting various potential landuse decisions. To date, no national-scale maps of regolith mineralogy are available in Australia. Catchment outlet sediments collected over 80% of the continent as part of the National Geochemical Survey of Australia (NGSA) afford a unique opportunity to rapidly and cost-effectively determine regolith mineralogy using the archived sample material. This report releases mineralogical data and metadata obtained as part of a feasibility study in a selected pilot area for such a national regolith mineralogy database and atlas. The area chosen for this study is within the Darling-Curnamona-Delamerian (DCD) region of southeastern Australia. The DCD region was selected as a ‘deep-dive’ data acquisition and analysis by the Exploration for the Future (2020-2024) federal government initiative managed at Geoscience Australia. One hundred NGSA sites from the DCD region were prepared for X-Ray Diffraction (XRD) analysis, which consisted of qualitative mineral identification of the bulk samples (i.e., ‘major’ minerals), qualitative clay mineral identification of the <2 µm grain-size fraction, and quantitative analysis of both ‘major’ and clay minerals of the bulk sample. The identified mineral phases were quartz, plagioclase, K-feldspar, calcite, dolomite, gypsum, halite, hematite, goethite, rutile, zeolite, amphibole, talc, kaolinite, illite (including muscovite and biotite), palygorskite (including interstratified illite-smectite and vermiculite), smectite (including interstratified illite-smectite), vermiculite, and chlorite. Poorly diffracting material (PDM) was also quantified and reported as ‘amorphous’. Mineral identification relied on the EVA® software, whilst quantification was performed using Siroquant®. Resulting mineral abundances are reported with a Chi-squared goodness-of-fit between the actual diffractogram and a modelled diffractogram for each sample, as well as an estimated standard error (esd) measurement of uncertainty for each mineral phase quantified. Sensitivity down to 0.1 wt% (weight percent) was achieved, with any mineral detection below that threshold reported as ‘trace’. Although detailed interpretation of the mineralogical data is outside the remit of the present data release, preliminary observations of mineral abundance patterns suggest a strong link to geology, including proximity to fresh bedrock, weathering during sediment transport, and robust relationships between mineralogy and geochemistry. The mineralogical data generated by this study are presented in Appendix A of this report and are downloadable as a .csv file. Mineral abundance or presence/absence maps are shown in Appendices B and C to document regional mineralogical patterns.
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Quantitative x-ray powder diffraction methods for clinker and cement. Gaithersburg, MD: National Institute of Standards and Technology, 1994. http://dx.doi.org/10.6028/nist.ir.5403.

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