Relevant bibliographies by topics / Macles de la calcite

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Academic literature on the topic 'Macles de la calcite'

Author: Grafiati
Published: 25 May 2024

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Journal articles on the topic "Macles de la calcite"

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Lacombe, O., J. Angelier, F. Bergerat, and P. Laurent. "Tectoniques superposees et perturbations de contrainte dans la zone transformante Rhin-Saone; apport de l'analyse des failles et des macles de la calcite." Bulletin de la Société Géologique de France VI, no. 5 (September 1, 1990): 853–63. http://dx.doi.org/10.2113/gssgfbull.vi.5.853.

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Özgün Çakmak, Ender, Emrah Erdoğan, Cengiz Köksal, Mesut Şişmanoğlu, and Uğur Fındıkçıoğlu. "Psoas muscle area index as a predictor of major adverse cardiovascular and limb events in patients with infrarenal aortic occlusions." Turkish Journal of Vascular Surgery 30, no. 2 (March 19, 2021): 133–40. http://dx.doi.org/10.9739/tjvs.2021.980.

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Objectives: In this study, we aimed to investigate whether the total psoas muscle area index (TPAI) was a predictive factor of major adverse cardiovascular and limb events (MACLEs) in patients with infrarenal aortic occlusion (IAO). Patients and methods: Between January 2011 and December 2019, a total of 72 patients with IAO (56 males, 16 females; mean age: 58.8±7.0 years; range, 46 to 75 years) were retrospectively reviewed. The TPAI was measured by dividing total psoas muscle area to squared patient height. The primary outcome measure was MACLEs. To estimate the effect of TPAI and clinical factors on prognosis, hazard ratios (HRs) with 95% confidence intervals (CIs) were used. Results: The median follow-up was 32 months (interquartile range 15.9-44). The patients were divided into two groups as MACLE-positive (n=30, 41.6%) and MACLE-negative (n=42, 58.4%). The mean TPAI for MACLE-negative and MACLE-positive patients was 615±171 mm2/m2 and 521±129 mm2/m2, respectively (p=0.036). The presence of increased TPAI values was associated with the decreased MACLE rate (HR: 0.19; 95% CI: 0.09-0.42; p=0.008). Conclusion: Our study results indicate that the TPAI measured by computed tomography scans is an independent prognostic factor for MACLEs in patients with chronic IAO.
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El-Mofty, S. E., and A. A. El-Midany. "Calcite–oleate–oxalate interaction in calcite flotation system." Particulate Science and Technology 35, no. 6 (June 10, 2016): 699–703. http://dx.doi.org/10.1080/02726351.2016.1194349.

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Vo-Thanh, D., and Diep-The-Hung. "Theoretical study of the elastic constants of calcite at the transition calcite I-calcite II." Physics of the Earth and Planetary Interiors 39, no. 1 (June 1985): 62–71. http://dx.doi.org/10.1016/0031-9201(85)90115-3.

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Mihajlovic, Slavica, Zivko Sekulic, Dusica Vucinic, Vladimir Jovanovic, and Bozo Kolonja. "PVC mixtures’ mechanical properties with the addition of modified calcite as filler." Chemical Industry 66, no. 5 (2012): 787–94. http://dx.doi.org/10.2298/hemind111115025m.

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In this study mechanical properties of PVC mixtures (PVC, stabilizer, lubricant, filler) such as tensile strength, tensile elongation, breaking strength, and breaking elongation were investigated. Unmodified calcite, as well as calcite modified by stearic acid, were used as fillers in wet and dry processes. The PVC mixtures containing the calcite modified by wet procedure have better mechanical properties compared to those with the calcite modified by the dry process. Tensile and breaking strength of the PVC mixture containing the calcite modified with 1.5% stearic acid using wet process, are higher for 2.8% and 5.2%, respectively, compared to the PVC mixture containing the calcite modified with the same amount of acid used in the dry process. The tensile strength difference between the mixtures increases with the increase of the concentration of used stearic acid up to 3%. The strength of PVC mixture with the calcite modified by wet process is 3.1% higher compared to the mixture containing calcite modified by dry process. The results showed that the bonding strength between calcite and the adsorbed organic component affected tensile strength, tensile elongation and breaking strength of the PVC mixtures. The best filler was obtained by wet modification using 1.5% stearic acid solution that provided the formation of a stearate monolayer chemisorbed on calcite. The PVC mixtures containing the calcite modified by wet process using 1.5% stearic acid solution exhibited the best mechanical properties. This calcite was completely hydrophobic with dominant chemically adsorbed surfactant, which means that stearate chemisorbed on calcite provided stronger interaction in the calcite-stearic acid-PVC system.
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Alutu, O. E., and M. O. Ihimekpen. "Utilization of Calcite and Calcite-Cement in the Stabilization of Laterites for Low-Cost Hollow Blocks." Advanced Materials Research 18-19 (June 2007): 27–34. http://dx.doi.org/10.4028/www.scientific.net/amr.18-19.27.

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This paper examines the production of calcite and calcite-cement stabilized laterite hollow blocks as low-cost masonry units. First, is the production of laterite hollow blocks solely stabilized with finely ground limestone or calcite followed by the production of laterite hollow blocks stabilized with calcite-cement composite. Laterite was sourced from three locations: Asoro, Evbuotubu and Ugbowo. Blocks were produced using a specially constructed machine with percentages of calcite and calcite-cement content varying from 4% to 16% respectively at compactive pressures of 10.32 and 13.75N/mm2. Equal amounts of calcite and cement are used in the composite. The blocks were then tested for 7, 14 and 28 days strengths after curing. The results show that laterite blocks stabilized with calcite alone do not satisfy the Nigerian Industrial Standards or British Standards for blocks but those stabilized with 8% calcite-cement content, i.e., 4% calcite with 4% cement do, at moulding pressure of 13.7 N/mm2. Based on the local cost data, the results also show that calcite-cement stabilized laterite hollow blocks are 17% cheaper than an equivalent cement-stabilized hollow block and 46% cheaper than the low quality sandcrete blocks sold in the market.
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Saito, Ayaka, Hiroyuki Kagi, Shiho Marugata, Kazuki Komatsu, Daisuke Enomoto, Koji Maruyama, and Jun Kawano. "Incorporation of Incompatible Strontium and Barium Ions into Calcite (CaCO3) through Amorphous Calcium Carbonate." Minerals 10, no. 3 (March 17, 2020): 270. http://dx.doi.org/10.3390/min10030270.

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Calcite is a ubiquitous mineral in nature. Heavy alkaline-earth elements with large ionic radii such as Sr2+ and Ba2+ are highly incompatible to calcite. Our previous study clarified that incompatible Sr2+ ions can be structurally incorporated into calcite through crystallization from amorphous calcium carbonate (ACC). In this study, we synthesized Sr-doped calcite with Sr/(Sr + Ca) up to 30.7 ± 0.6 mol% and Ba-doped calcite with Ba/(Ba + Ca) up to 68.6 ± 1.8 mol%. The obtained Ba-doped calcite samples with Ba concentration higher than Ca can be interpreted as Ca-containing barium carbonates with the calcite structure which have not existed so far because barium carbonate takes the aragonite structure. X-ray diffraction (XRD) patterns of the Sr-doped and Ba-doped calcite samples obtained at room temperature showed that reflection 113 gradually weakened with increasing Sr/(Sr + Ca) or Ba/(Ba + Ca) ratios. The reflection 113 disappeared at Ba/(Ba + Ca) higher than 26.8 ± 1.6 mol%. Extinction of reflection 113 was reported for pure calcite at temperatures higher than 1240 K, which was attributed to the rotational (dynamic) disorder of CO32− in calcite. Our Molecular Dynamics (MD) simulation on Ba-doped calcite clarified that the CO32− ions in Ba-doped calcites are in the static disorder at room temperature. The CO32− ions are notable tilted and displaced from the equilibrium position of pure calcite.
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HALFORD, BETHANY. "CALCITE CLOSE-UP." Chemical & Engineering News 87, no. 48 (November 30, 2009): 7. http://dx.doi.org/10.1021/cen-v087n048.p007.

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Boels, L., R. M. Wagterveld, M. J. Mayer, and G. J. Witkamp. "Seeded calcite sonocrystallization." Journal of Crystal Growth 312, no. 7 (March 2010): 961–66. http://dx.doi.org/10.1016/j.jcrysgro.2010.01.016.

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Eriksson, Susan C. "Only a Calcite?!" Rocks & Minerals 70, no. 4 (August 1995): 217–30. http://dx.doi.org/10.1080/00357529.1995.9926626.

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Dissertations / Theses on the topic "Macles de la calcite"

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Parlangeau, Camille. "Quantification des paléocontraintes par l'analyse des macles de la calcite : nouvelle approche d'acquisition et d'inversion des données et mécaniques du maclage." Electronic Thesis or Diss., Paris 6, 2017. http://www.theses.fr/2017PA066570.

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La compréhension et la simulation des mécanismes de déformation dans la croûte supérieure sont des enjeux scientifiques et techniques importants. La calcite étant un minéral commun de la croûte supérieure se déformant essentiellement par maclage sous 200 °C, c'est pour cette raison que l'on s'intéresse plus particulièrement au maclage de la calcite dans le cadre de cette thèse. L'utilisation du maclage de la calcite n'en est pas à son coup d'essai et de nombreuses méthodes d'inversions existent que ce soit pour remonter aux tenseurs des contraintes comme aux tenseurs des déformations. Cette thèse propose une nouvelle méthode d'inversion basée sur l'inversion d'Etchopar permettant de reconstruire 5 sur 6 paramètres du tenseur des contraintes avec une quantification fine des incertitudes. Cette méthode permet de détecter automatiquement l'existence d'un ou de plusieurs évènements tectoniques enregistrés par le maclage de la calcite. Un deuxième volet de la thèse consiste en l'amélioration de la méthode d'acquisition des données de macles en utilisant un EBSD (electron backscatter diffraction). En effet, l'utilisation traditionnelle de la platine universelle a des limitations techniques et amène aussi à un doute visuel sur l'appréciation du statut non-maclé de certains plans, en plus du côté long et fastidieux. Le dernier volet de la thèse consiste à déterminer le seuil de maclage de la calcite pour différentes tailles de grains à l'aide de tests mécaniques sous une presse uniaxiale. Qui plus est, le suivi en continu des déformations sur les monocristaux de calcite a permis de mettre en évidence le comportement macroscopique d'un cristal de calcite et la séquence de maclage
The understanding and modelling of deformation mechanics in the upper crust are important scientific and technical issues. The calcite is a common mineral in the upper crust and mainly deforms by twinning under 200°C. That is why we are interested by calcite twinning as part of this thesis. It is not the first time that calcite twinning is used to reconstruct paleostress or paleostrain tensors. This thesis propose a new inversion method based on the Etchecopar’s one allowing to reconstruct 5 among 6 parameters of the stress tensor with an accurate quantification of the uncertainties. This method allows to automatically detect the realness of one or several tectonic events recorded by calcite twinning. A second part of the thesis consists in the improvement of the data acquisition by using EBSD (electron backscatter diffraction). In fact, the traditional use of the universal stage has technical limitations and brings some optical doubt about the untwinned status of few planes in addition to the long and tedious side. The last part of the thesis consists in the establishing the threshold of calcite twinning for different grain sizes by mechanical tests under a uniaxial press. Moreover, the continuous monitoring of the experiments using single crystals of calcite allowed to highlight the macroscopic behavior of a single crystal and the sequence of twinning
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Parlangeau, Camille. "Quantification des paléocontraintes par l'analyse des macles de la calcite : nouvelle approche d'acquisition et d'inversion des données et mécaniques du maclage." Thesis, Paris 6, 2017. http://www.theses.fr/2017PA066570/document.

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La compréhension et la simulation des mécanismes de déformation dans la croûte supérieure sont des enjeux scientifiques et techniques importants. La calcite étant un minéral commun de la croûte supérieure se déformant essentiellement par maclage sous 200 °C, c'est pour cette raison que l'on s'intéresse plus particulièrement au maclage de la calcite dans le cadre de cette thèse. L'utilisation du maclage de la calcite n'en est pas à son coup d'essai et de nombreuses méthodes d'inversions existent que ce soit pour remonter aux tenseurs des contraintes comme aux tenseurs des déformations. Cette thèse propose une nouvelle méthode d'inversion basée sur l'inversion d'Etchopar permettant de reconstruire 5 sur 6 paramètres du tenseur des contraintes avec une quantification fine des incertitudes. Cette méthode permet de détecter automatiquement l'existence d'un ou de plusieurs évènements tectoniques enregistrés par le maclage de la calcite. Un deuxième volet de la thèse consiste en l'amélioration de la méthode d'acquisition des données de macles en utilisant un EBSD (electron backscatter diffraction). En effet, l'utilisation traditionnelle de la platine universelle a des limitations techniques et amène aussi à un doute visuel sur l'appréciation du statut non-maclé de certains plans, en plus du côté long et fastidieux. Le dernier volet de la thèse consiste à déterminer le seuil de maclage de la calcite pour différentes tailles de grains à l'aide de tests mécaniques sous une presse uniaxiale. Qui plus est, le suivi en continu des déformations sur les monocristaux de calcite a permis de mettre en évidence le comportement macroscopique d'un cristal de calcite et la séquence de maclage
The understanding and modelling of deformation mechanics in the upper crust are important scientific and technical issues. The calcite is a common mineral in the upper crust and mainly deforms by twinning under 200°C. That is why we are interested by calcite twinning as part of this thesis. It is not the first time that calcite twinning is used to reconstruct paleostress or paleostrain tensors. This thesis propose a new inversion method based on the Etchecopar’s one allowing to reconstruct 5 among 6 parameters of the stress tensor with an accurate quantification of the uncertainties. This method allows to automatically detect the realness of one or several tectonic events recorded by calcite twinning. A second part of the thesis consists in the improvement of the data acquisition by using EBSD (electron backscatter diffraction). In fact, the traditional use of the universal stage has technical limitations and brings some optical doubt about the untwinned status of few planes in addition to the long and tedious side. The last part of the thesis consists in the establishing the threshold of calcite twinning for different grain sizes by mechanical tests under a uniaxial press. Moreover, the continuous monitoring of the experiments using single crystals of calcite allowed to highlight the macroscopic behavior of a single crystal and the sequence of twinning
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Bah, Boubacar. "Apport de l'analyse paléopiézométrique des macles de la calcite et des stylolites à la compréhension de l'histoire tectonique et d'enfouissement des bassins sédimentaires de la marge ouest-africaine de l'Atlantique Sud." Electronic Thesis or Diss., Sorbonne université, 2023. http://www.theses.fr/2023SORUS081.

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La présente thèse a pour objectif d'éprouver des méthodologies permettant de reconstituer l'évolution des propriétés réservoirs et de la pression subit par un réservoir. Ce manuscrit présente (1) une caractérisation pétrologique des roches réservoirs avec une estimation du calendrier de l'évolution de la porosité, (2) les résultats une étude paléopiézométrique, et (3) une évolution des contraintes effectives et potentielles (sur)pressions de fluides ayant prévalu dans le réservoir carbonaté au cours de son évolution. Ces éléments permettent de reconstituer l'histoire d'enfouissement et les paléocontraintes subies par des réservoirs carbonatés dans un contexte de marge passive. Pour cela ce travail s'est basé sur une approche couplée de deux outils paléopiézométrique complémentaires combinant l'inversion des macles de la calcite et l'inversion de la rugosité des stylolites. Cette approche a été combinée avec des analyses pétrographiques, géochimiques, géomécaniques et géochronologiques pour bien caractériser le réservoir. Le matériel étudié lors de cette thèse consiste en des carottes de forage offshore récupérées de puits profonds fournis par TotalEnergies situés dans les bassins du Bas Congo et de Kwanza sur la marge ouest africaine de l'océan Atlantique Sud. Ces bassins ont subi un épisode de rifting au Crétacé inférieur (145.5 - 112 Ma). L'étude de la destruction de la porosité des réservoirs pré-sel de la formation TOCA syn-rift d'âge Barrémien (130-125 Ma) à partir de carottes prélevées dans le bassin du Bas Congo a révélé que la porosité initiale avait été réduite à sa valeur actuelle de 4-8% au cours des 35 premiers Ma de son histoire d'enfouissement, atteignant ~10% après seulement 10 Ma, i.e. dans les 400-500 premiers mètres d'enfouissement et que la porosité actuelle n'avait pas évolué de manière significative depuis 95 Ma (fin de la stylolitisation). Cette étude a ainsi montré que les propriétés des réservoirs dans les formations carbonatées bioclastiques telles que la formation TOCA peuvent être largement contrôlés par des processus diagénétiques précoces et très superficiels plutôt que par des réactions mésogénétiques qui se produisent ultérieurement en profondeur dans l'histoire de l'enfouissement. Une étude paléopiézométrique a été réalisée dans le but de reconstituer l'histoire d'enfouissement et des paléocontraintes des formations carbonatées de la TOCA (syn-rift) du Barrémien et Sendji (post-rift) de l'Albien sur la marge ouest africaine. La paléopiézométrie basée sur l'inversion de la rugosité des stylolites et l'inversion des macles de calcite a été combinée à l'analyse de la fracturation, à la datation géochronologique U-Pb du ciment calcitique et à la modélisation de l'enfouissement des deux formations pour reconstruire les orientations et les grandeurs des contraintes horizontales et verticales ayant affecté les deux formations au cours du temps. L'inversion des macles de la calcite réalisée sur des ciments précoces a révélé que les carbonates syn-rift et post-rift avaient enregistré une histoire des paléocontraintes polyphasée, incluant (1) des régimes de contraintes extensifs liés à l'ouverture l'océan Atlantique Sud (145.5-112 Ma), avec un σ3 orienté NE-SW à E-W, et à l'échelle du bassin des failles normales orientées N-S et NE-SW. Cette phase d'extension n'est observée que dans les formations syn-rift. (2) des régimes de contraintes extensifs associés à une tectonique salifère locale affectant les formations post sel, trouvés uniquement dans la formation Sendji (101 à 80 Ma) avec un σ3 orienté ~N-S et ~E-W. (3) Des régimes de contraintes compressifs et décrochants avec un σ1 horizontal orienté ~N-S à NE-SW probablement liés à la collision Afrique-Eurasie. (4) Des régimes de contraintes compressifs et décrochants avec un σ1 horizontal orienté ~E-W que nous avons proposé d’attribuer à la poussée à la ride médio-Atlantique et qui prévalent depuis ~15 - 10 Ma
This thesis aims to test methodologies allowing the reconstruction of the evolution of reservoir properties and their pressure. This manuscript presents (1) a petrological characterization of the reservoir rocks with an estimation of the timing of porosity evolution, (2) the results of a paleopiezometric study, and (3) an evolution of effective stresses and potential fluid (over)pressures that prevailed in the carbonate reservoir during its evolution. These tools allow the reconstruction of the burial history and the paleostresses experienced by carbonate reservoirs in a passive margin. For this purpose, this work was based on a coupled approach of two complementary paleopiezometric tools combining the inversion of calcite twin data and stylolite roughness data. This approach was combined with petrographic, geochemical, geomechanical and geochronological analyses to fully characterize the reservoir. The studied material during this thesis consists of offshore cores recovered from deep wells provided by TotalEnergies located in the Lower Congo and Kwanza basins on the West African margin of the South Atlantic Ocean. These basins underwent a rifting event in the early Cretaceous times (145.5 - 112 Ma). The study of the porosity destruction of the pre-salt reservoirs of the syn-rift TOCA formation of Barremian age (130-125 Ma) from offshore core located in the Lower Congo basin revealed that the initial porosity was reduced to its current value of 4-8% during the first 35 Ma of its burial history, reaching ~10% after only 10 Ma, i.e. in the first 400-500 meters of burial and that the current porosity has not evolved significantly since 95 Ma (end of stylolitization). This study has shown that the outcome of reservoir properties in bioclastic carbonate formations such as the TOCA formation may be largely controlled by early and very shallow diagenetic processes rather than by mesogenetic reactions that occur later in the burial history. A paleopiezometric study was carried out in order to reconstruct the burial and paleostress history of the TOCA (syn-rift) Barremian and Sendji (post-rift) Albian carbonate formations on the West African margin. Paleopiezometry based on stylolite roughness inversion and calcite twins inversion was combined with fracture analysis, U-Pb geochronological dating of the calcite cement and burial modelling of the both formations to unravel the orientations and magnitudes of horizontal and vertical stresses that affected the TOCA and Sendji formations over time. The inversion of calcite macles on early diagenetic cements revealed that syn-rift and post-rift carbonates recorded a complex, polyphase paleostress history, (1) extensional stress regimes related to the opening of the South Atlantic ocean (145.5-112 Ma), with a σ3 oriented NE-SW to E-W, and at the basin scale N-S and NE-SW oriented normal faults. This extensional phase is only recorded by the TOCA syn-rift formation. (2) Extensional stress regimes associated with local salt tectonics that affect the post-salt formations, only found in the Sendji formation (101 to 80 Ma) with a σ3 oriented ~N-S and ~E-W. (3) Compressional and strike-slip stress regimes with horizontal σ1 oriented ~N-S to NE-SW probably related to the Africa-Eurasia collision at ~67-60 Ma. (4) Compressional stress regimes with horizontal σ1 oriented ~E-W that we proposed to attribute to the mid-Atlantic ridge push and that have prevailed since 15-10 Ma onwards
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Narramore, Christine A. "The calcite-water interface." Thesis, University of Oxford, 1994. https://ora.ox.ac.uk/objects/uuid:45ac5702-d849-4ba6-902a-d58edf6d0283.

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Archer, T. D. "Computer simulations of calcite." Thesis, University of Cambridge, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596141.

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In this dissertation I have created and applied a parametric model for bulk carbonate materials. The new empirical model for carbonates is stable for a wide range of carbonate structures and reproduces experimental results with reasonable accuracy. To study the surface of calcite the ab initio code SIESTA has been used. New implementation has been introduced into the SIESTA code to allow the calculation of effective charges using the modern theory of polarisation. Using these charges the calculation of the long range electrostatic effects, which are removed by the zero electric field boundary conditions, have been introduced into the phonon methodology, reproducing the LO-TO splitting within the calculated phonon modes near the F-point. Furthermore the effective charges have been used in the calculation of the infrared intensity for each phonon mode. The SIESTA implementation of DFT relies upon the evaluation of electron density on a real-space grid. Such discretization of the real-space integrals introduces an oscillatory error in the energy and forces, with the periodicity of the real-space grid. A method for reducing this error has been introduced. The SIESTA code with the new methodology has been used to study bulk calcite, {211} calcite surface and the interaction of water with the {211} sur­face. The structure and phonon frequencies for the bulk match well with experimental values. The {211} surface has been calculated showing the response of the crystal in both distortion of the ion position and the electronic configuration. Surface relaxations and phonon frequencies show no symmetry breaking reconstruction of the calcite {211} surface. Calculation of the interaction of water molecules with the {211} surface predicts the optimum position for water on the surface.
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Kerisit, Sébastien N. "Atomistic simulation of calcite surfaces." Thesis, University of Bath, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.404027.

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The aim of this thesis is to develop an atomistic model of the mineral-water interface taking calcium carbonate as an example. This model would enable us to gain insight into the microscopic processes involved in the growth and dissolution of minerals, In Chapter 1, major experimental and computational studies of calcite surfaces arc reviewed and the main topics of this thesis arc presented. Chapters 2 and 3 discuss the methodology used throughout this work. In Chapter 2, the potential model is explained in great detail. Chapter 3 gives an introduction to the computational techniques, namely energy minimisation and molecular dynamics, used throughout this study, together with a brief description of the density functional theory, also used in this thesis. Chapters 4 to 8 present the main results obtained during this project. In Chapter 4, energy minirnisations of the main low-index surfaces of calcite reveal that the {1014} surface is the most stable surface in both dry and hydrated conditions. In addition, it was found that the reaction of water with surface carbonate groups, which results in the dissociation of water molecules, would occur at step edges and defective surfaces rather than at the {1014} surface. In Chapter 5, a comparison of the surface energies obtained from electronic structure calculations with those described in the previous chapter shows that the relative energies are in very good agreement. Also, surface phase diagrams of three surfaces in contact with a gaseous phase suggest that calcium poor surfaces are the dominant terrninations under ambient conditions.In Chapter 6, potential parameters developed to model the interactions of carbonate surfaces with water are shown to also reproduce the structure and dynamics of the hydration shell of metal cations. This chapter also presents new potential parameters for modelling halide ions in solution. In Chapter 7, the free energy of adsorption of water on the {lOI4} surface is calculated and found to be small when compared to the enthalpy of adsorption, therefore implying a large entropy of adsorption. Also, it is shown that the free energy profiles of metal ions adsorbing on the surface are correlated with the solvent density. In Chapter 8, the distribution of ions near the surface, calculated from molecular dynamics simulations, is found to differ from the classical view of the electrical double layer. Finally, Chapter 9 gives a summary of the main results presented in this thesis
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Stocker, Isabella Natalie. "Adsorption at the calcite-liquid interface." Thesis, University of Cambridge, 2013. https://www.repository.cam.ac.uk/handle/1810/252293.

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Jin, Yuan. "Formation des macles thermiques pour l'ingénierie de joints de grains." Thesis, Paris, ENMP, 2014. http://www.theses.fr/2014ENMP0030/document.

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Le maclage thermique est un défaut cristallographique largement discuté dans les métaux de type CFC à faible énergie de faute d'empilement. Malgré une importante littérature scientifique dédiée à ce sujet, les mécanismes expliquant précisément la formation de ces macles thermiques ne sont pas totalement élucidés à ce jour. Dans ce travail, nous avons cherché à améliorer notre compréhension de ce phénomène fondamental en métallurgie physique. Différents matériaux de type CFC (acier inoxydable 304L, nickel pur et Inconel 718) ont été considérés. Nous avons confirmé, grâce à des expériences de traitement thermique in situ couplées à des cartographies d'orientation, que la majorité des macles thermiques sont générées durant la recristallisation. De la même manière, par une expérience réalisée sur l'Inconel 718, nous avons mis en évidence que la croissance de grains pure n'était pas source de joints de macle. Par conséquent, il semble évident que les phénomènes de recristallisation et de croissance de grains ont des régimes totalement distincts associés à des mécanismes spécifiques du point de vue de la formation des macles thermiques, et doivent donc absolument être étudiés séparément. Nous avons ainsi proposé un nouveau modèle, dans lequel l'effet du signe de la courbure moyenne du front de recristallisation est pris en compte. Les influences de différents facteurs thermomécaniques, y compris le niveau de déformation, la taille de grains initiale, la température de recuit et la vitesse de montée en température, ont été étudiées à travers deux séries d'expériences. Suite à l'effet du signe de la courbure moyenne du joint de grain, nous avons proposé une méthode pour quantifier la tortuosité du front de recristallisation. Dans cette étude, nous montrons que cette quantité est corrélée à la densité de macles post-recristallisation. En sus des analyses expérimentales, des outils numériques de type champ moyen et champ complet ont également été développés dans cette étude afin de modéliser l'évolution des macles thermiques tout en tenant en compte des mécanismes physiques mis en évidence expérimentalement. Les bases d'un nouveau modèle de type champ moyen ont été proposées afin de modéliser l'évolution de la densité de macles moyenne durant le phénomène de croissance de grains. Ce modèle, dans lequel seulement un paramètre doit être identifié par des donnés expérimentales, semble mieux décrire les résultats expérimentaux obtenus pour l'inconel 718 comparé au modèle de Pande, référence en la matière. Deux méthodes implicites i.e. la méthode level-set et la méthode champ de phase ont été comparées au niveau de leurs formulations et de leurs performances numériques pour des simulations de croissance de grains anisotrope. C'est la première fois que ces deux méthodes sont comparées dans le contexte de l'utilisation de maillages éléments finis non stucturés et hétérogènes en terme de taille de maille. Une nouvelle méthodologie a été ainsi proposée dans le cadre de l'approche level-set pour simuler l'évolution de macles thermiques durant le phénomène de croissance de grains. Dans cette nouvelle méthodologie, les joints de macles peuvent être insérés dans des microstructures synthétiques. De plus, les joints de macles peuvent être distingués selon leur nature cohérente ou incohérente. Nous avons montré à travers les différentes simulations réalisées que les propriétés spéciales des joints de macles peuvent être prises en compte avec ce nouveau formalisme
Annealing twin is a crystallographic defect that is largely reported in F.C.C. metals especially those with low stacking fault energy. Despite the amount of work dedicated to the subject, the understanding of annealing twin formation mechansims is not complete in the literature. In the present work, by applying both experimental and numerical tools, we tried to have a more profound understanding of this phenomenon, which is essential to Physical Metallurgy. For this purpose, different F.C.C. Materials including 304L stainless steel, commercially pure nickel and nickel based superalloy Inconel 718 are investigated. We confirmed that annealing twins are mainly formed in the recrystallization regime, especially driven by the migration of recrystallization front into deformed regions by using in situ EBSD technique. In addition, we found in the in situ observations that there are almost no twins generated in the grain growth regime. This observation is confirmed by another grain growth experiment performed on Inconel 718. Therefore, curvature driven grain boundary migration by itself is not sufficient to generate annealing twins. A new atomistic model to explain annealing twin formation mechanism, in which the effect of migrating boundary curvature is considered, is proposed. The effects of different thermo-mechanical factors, including prior deformation level, initial grain size, annealing temperature and the heating velocity, on annealing twin formation are determined via two experiments performed on commercially pure nickel. Based on the idea of grain boundary curvature, we proposed a method to quantify recrsytallization front tortuosity. In the present study, we show evidence that this quantity is positively correlated with the twin density at the end of the recrystallization regime. In addition to experimental studies, numerical tools including both mean field and full field approaches are applied to model annealing twin evolution during grain growth by taking into account the revealed mechanisms. A basis of a new mean field model is proposed to model annealing twin density evolution during grain growth. This model, which has only one parameter to be identified, provides a better consistency with the experimental data of Inconel 718 compared to the Pande's model. Besides, full field approaches are also applied to simulate the overall microstructure evolution during grain growth. Two implicit methods i.e. the level set and the multi-phase-field methods are compared in terms of their formulations and their numerical performance in anisotropic grain growth simulations. It is the first time that these two methods are compared in the finite element context with non-structural mesh. In the present numerical context, the level set method is more suitable to describe strong anisotropy in grain boundary energy. A new methodology is thus developed in the level set framework to simulate annealing twin evolution during grain growth. This methodology, in which we can insert annealing twin boundaries into synthetic microstructures and distinguish coherent and incoherent twin boundaries, is proven to be able to counting for the strong anisotropy introduced by coherent annealing twin boundaries
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BRAISAZ, THIERRY. "Structure atomique des macles dans les metaux a symetrie hexagonale." Caen, 1996. http://www.theses.fr/1996CAEN2056.

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La deformation des metaux a symetrie hexagonale tels que le zinc (c/a=1,856) et le titane (c/a=1,588) entraine la formation de macles. Leurs structures atomiques ont ete identifiees a la fois theoriquement a l'aide de calculs de minimisation d'energie (relaxation) et experimentalement par microscopie electronique haute resolution. On retrouve la structure plane et symetrique decrite pour un metal ayant un rapport parametrique c/a proche de la valeur ideale (1,633). Experimentalement, une interface metastable, microfacettee, a ete observee au voisinage des defauts de macle. De plus, nous avons tout particulierement examine les marches interfaciales associees aux dislocations de macle. Nous avons propose une nouvelle nomenclature pour exprimer les vecteurs de burgers. Les vecteurs b#p#/#q expriment les vecteurs de burgers ayant une composante hors du plan d'interface et b#p#/#p les vecteurs de burgers paralleles a l'interface, ou p et q sont definis par les hauteurs respectives des marches dans le cristal 1 et le cristal 2 telles que h(1)=pd et h(2)=qd, d etant l'espacement des plans paralleles a l'interface. Nous avons mis en evidence l'origine et la stabilite de chacune des dislocations repertoriees, d'une part, grace aux parametres topologiques (vecteur de burgers et hauteur de marche) associes, et d'autre part, en considerant le flux de matiere engendre par le mouvement des dislocations. Les mecanismes d'interaction entre dislocations et de decomposition des dislocations de matrice dans le joint de macle ont ete decrits
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Birse, S. E. A. "Experimental and computational studies on foraminiferal calcite." Thesis, University of Cambridge, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596662.

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In this thesis, the effect of dissolution on the chemistry and structure of perforate planktonic foraminiferal tests was investigated. Atomistic simulations were undertaken to study the energetics of magnesium ions in calcite and their structural ordering in the {104} surface. Shell mass, δ18Oc and Mg/Ca measurements were obtained on core-top tests of foraminifera from depth transects in the Indian and Pacific oceans. The degree to which dissolution biased the temperature determined from δ18Oc and Mg/Ca measurements was found to be similar for G. sacculifer and G. ruber but greater for the Mg/Ca-temperature estimates for P. obliquiloculata and N. dutertrei. Corrections to the Mg/Ca ratios based on core-top depth, bottom water carbonate ion concentration, and shell mass were developed. For all species, bottom water carbonate ion concentration provided the best correction for the dissolution artifact. Crystallinity of the planktonic foraminiferal tests was investigated using x-ray powder diffraction from the {104} plane of calcite. Species offsets in crystallinity were attributed to differences in test structure, in particular the proportions of primary to secondary calcite composing the test wall. A correlation between tests which had undergone increased dissolution and a narrowing of the 104 Bragg peak was observed. This change was attributed to the preferential removal of smaller crystallites (the primary calcite). The crystallinity of undissolved tests correlated with growth rate. Faster test calcification could broaden the 104 Bragg peak because overall smaller crystallites were deposited or because more primary calcite was initially deposited. An empirical potential set was generated for calcium carbonate. Trends in metal cation defect energies between calcite and aragonite stemmed from the differences in bulk geometries. The {104} calcite surface, in vacuo and hydrated, was generated from the same potential set. Surface relaxation of the in vacuo surface was investigated by calculating within layer polarization and between layer strain.
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Books on the topic "Macles de la calcite"

1

Bresser, Johannes Hubertus Petrus de. Intracrystalline deformation of calcite. [Utrecht: Instituut voor Aardwetenschappen der Rijksuniversiteit Utrecht], 1991.

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Eurybiades, Busenberg, and Geological Survey (U.S.), eds. Data on the crystal growth of calcite from calcium bicarbonate solutions at 34p0sC and CO2 partial pressures of 0.101, 0.0156 and 0.00102 atmospheres. Reston, Va: U.S. Dept. of the Interior, U.S. Geological Survey, 1999.

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Eurybiades, Busenberg, and Geological Survey (U.S.), eds. Data on the crystal growth of calcite from calcium bicarbonate solutions at 34⁰C and CO2 partial pressures of 0.101, 0.0156 and 0.00102 atmospheres. Reston, Va: U.S. Dept. of the Interior, U.S. Geological Survey, 1999.

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Calcite: Formation, properties, and applications. Hauppauge, N.Y: Nova Science Publishers, 2011.

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Renata D. van der Weijden. Interactions between cadmium and calcite. [Utrecht: Faculteit Aardwetenschappen, Universiteit Utrecht, 1995.

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Voronov, E. T. Povyshenie ėffektivnosti i bezopasnosti podzemnoĭ razrabotki mestorozhdeniĭ gornogo khrustali︠a︡ v kriolitozone. Chita: Chitinskiĭ gos. universitet, 2006.

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K, Kyser T., United States. Dept. of Energy. Nevada Operations Office., and Geological Survey (U.S.), eds. Uranium, thorium isotopic analyses and uranium-series ages of calcite and opal, and stable isotopic compositions of calcite from drill cores UE25a#1, USW G-2 and USW G-3/GU-3, Yucca Mountain, Nevada. Denver, Colo: U.S. Dept. of the Interior, Geological Survey, 1985.

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Schunk, Axel, and Ulf Thewalt. Historische anorganische Werkstoffe. Ulm: Universitätsverlag, 2000.

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K, Kyser T., United States. Dept. of Energy. Nevada Operations Office., and Geological Survey (U.S.), eds. Uranium, thorium isotopic analyses and uranium-series ages of calcite and opal, and stable isotopic compositions of calcite from drill cores UE25a#1, USW G-2 and USW G-3/GU-3, Yucca Mountain, Nevada. Denver, Colo: U.S. Dept. of the Interior, Geological Survey, 1985.

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Häuselmann, Philipp. Die Karsthöhlen Beret-Stufen (Därstetten, Berner Oberland) und ihre Calcite. Bern: Naturhistorisches Museum Bern, 2004.

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Book chapters on the topic "Macles de la calcite"

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Rothwell, R. G. "Calcite." In Minerals and Mineraloids in Marine Sediments, 47–56. Dordrecht: Springer Netherlands, 1989. http://dx.doi.org/10.1007/978-94-009-1133-8_6.

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Gooch, Jan W. "Calcite." In Encyclopedic Dictionary of Polymers, 109. New York, NY: Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-6247-8_1816.

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McLaren, Sue J. "Calcite." In Encyclopedia of Modern Coral Reefs, 179. Dordrecht: Springer Netherlands, 2011. http://dx.doi.org/10.1007/978-90-481-2639-2_194.

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Gooch, Jan W. "Diatomaceous Calcite." In Encyclopedic Dictionary of Polymers, 205. New York, NY: Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-6247-8_3502.

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Milanolo, Simone. "Calcite Deposition." In Sources and Transport of Inorganic Carbon in the Unsaturated Zone of Karst, 125–42. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-29308-0_9.

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Sanz, Joaquim, Oriol Tomasa, Abigail Jimenez-Franco, and Nor Sidki-Rius. "Calcium Carbonate (Calcite)." In Elements and Mineral Resources, 341–43. Cham: Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-030-85889-6_85.

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Berger, Wolfgang H. "Calcite Compensation Depth (CCD)." In Encyclopedia of Marine Geosciences, 71–73. Dordrecht: Springer Netherlands, 2016. http://dx.doi.org/10.1007/978-94-007-6238-1_47.

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Bosak, Tanja. "Calcite Precipitation, Microbially Induced." In Encyclopedia of Geobiology, 223–27. Dordrecht: Springer Netherlands, 2011. http://dx.doi.org/10.1007/978-1-4020-9212-1_41.

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Girija, E. K., G. Suresh Kumar, A. Thamizhavel, Y. Yokogawa, and S. Narayana Kalkura. "Fabrication of Hydroxyapatite-Calcite Nanocomposite." In Advances in Bioceramics and Porous Ceramics IV, 1–11. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9781118095263.ch1.

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Lea, David W. "Trace elements in foraminiferal calcite." In Modern Foraminifera, 259–77. Dordrecht: Springer Netherlands, 1999. http://dx.doi.org/10.1007/0-306-48104-9_15.

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Conference papers on the topic "Macles de la calcite"

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Begoli, Edmon, Jesús Camacho-Rodríguez, Julian Hyde, Michael J. Mior, and Daniel Lemire. "Apache Calcite." In SIGMOD/PODS '18: International Conference on Management of Data. New York, NY, USA: ACM, 2018. http://dx.doi.org/10.1145/3183713.3190662.

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Jia, Qicui, Shuo Zhang, James Watkins, and Laurent Devriendt. "Strontium partitioning in calcite: from inorganic to foraminiferal calcite." In Goldschmidt2023. France: European Association of Geochemistry, 2023. http://dx.doi.org/10.7185/gold2023.19693.

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Balboni, Enrica, Kurt Smith, Corwin Booth, Mavrik Zavarin, and Annie Kersting. "Plutonium coprecipitation with calcite." In Goldschmidt2021. France: European Association of Geochemistry, 2021. http://dx.doi.org/10.7185/gold2021.4543.

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Omre, H., K. Solna, H. Tjelmeland, L. Claesson, and C. Holter. "Calcite Cementation: Description and Production Consequences." In SPE Annual Technical Conference and Exhibition. Society of Petroleum Engineers, 1990. http://dx.doi.org/10.2118/20607-ms.

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Sanchez, Reed, and Christopher S. Romanek. "MAGNESIAN CALCITE AS A PALEOENVIRONMENTAL INDICATOR." In 68th Annual GSA Southeastern Section Meeting - 2019. Geological Society of America, 2019. http://dx.doi.org/10.1130/abs/2019se-326938.

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Sleiman, Johnpaul, and Chris Romanek. "MAGNESIAN CALCITE AS A PALEOENVIRONMENTAL INDICATOR." In Southeastern Section-70th Annual Meeting-2021. Geological Society of America, 2021. http://dx.doi.org/10.1130/abs/2021se-362310.

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Jia, Qicui, Shuo Zhang, and James Watkins. "Modeling Sr partitioning in foraminiferal calcite." In Goldschmidt2022. France: European Association of Geochemistry, 2022. http://dx.doi.org/10.46427/gold2022.10510.

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Costa Filho, Deusavan, Alexander Gysi, and Nikolai Nikolai Kalugin. "Hydrothermal calcite-fluid REE partitioning experiments." In Goldschmidt2022. France: European Association of Geochemistry, 2022. http://dx.doi.org/10.46427/gold2022.12408.

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Gabitov, Rinat, Aleksey Sadekov, Alberto Perez-Huerta, Chiara Borrelli, and Mustafa Rezaei. "Elemental uptake by individual calcite crystals." In Goldschmidt2022. France: European Association of Geochemistry, 2022. http://dx.doi.org/10.46427/gold2022.11458.

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Hosa, A. M. "3D Modelling of Early Calcite Cements." In 75th EAGE Conference and Exhibition incorporating SPE EUROPEC 2013. Netherlands: EAGE Publications BV, 2013. http://dx.doi.org/10.3997/2214-4609.20130682.

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Reports on the topic "Macles de la calcite"

1

Andrews, P. R. A., and A. Vagt. Limestone, calcite and lime. Natural Resources Canada/CMSS/Information Management, 1993. http://dx.doi.org/10.4095/328641.

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Doner, H., and M. Zavarin. Nickel and manganese interaction with calcite. Office of Scientific and Technical Information (OSTI), August 1999. http://dx.doi.org/10.2172/12549.

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Pool, K. H., P. J. Raney, and D. W. Shannon. Calcite solubility in simulated geothermal brines. Office of Scientific and Technical Information (OSTI), February 1987. http://dx.doi.org/10.2172/7057097.

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Chapman, Piers, and John W. *Morse. Kinetics and Mechanisms of Calcite Reactions with Saline Waters. Office of Scientific and Technical Information (OSTI), November 2010. http://dx.doi.org/10.2172/992616.

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Gorman, Brian P. Kinetics and Mechanisms of Calcite Reactions with Saline Waters. Office of Scientific and Technical Information (OSTI), September 2015. http://dx.doi.org/10.2172/1213531.

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Hill, C. A., C. M. Schluter, and R. S. Harmon. Calcite/opal deposits at Yucca Mountain, Nevada: Pedogenic or hypogene? Office of Scientific and Technical Information (OSTI), January 1994. http://dx.doi.org/10.2172/227034.

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Grady, D. E., R. L. Moody, and D. S. Drumheller. Release equation of state of dry and water-saturated porous calcite. Office of Scientific and Technical Information (OSTI), November 1986. http://dx.doi.org/10.2172/7021363.

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Zendejas, Frank, Todd W. Lane, and Pamela D. Lane. Quantitative laboratory measurements of biogeochemical processes controlling biogenic calcite carbon sequestration. Office of Scientific and Technical Information (OSTI), January 2011. http://dx.doi.org/10.2172/1011227.

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Kjarsgaard, B. A., D. R. Sharpe, R. D. Knight, D. Stepner, and H. A J Russell. Newmarket Till aquitard: optimum grain packing with a pore-filling calcite-rich cement. Natural Resources Canada/ESS/Scientific and Technical Publishing Services, 2018. http://dx.doi.org/10.4095/306539.

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Cygan, Randall Timothy, Ralph Mitchell, and Thomas D. Perry. Structure and dynamics of microbe-exuded polymers and their interactions with calcite surfaces. Office of Scientific and Technical Information (OSTI), December 2005. http://dx.doi.org/10.2172/883482.

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