Relevant bibliographies by topics / Diagram correlation

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Academic literature on the topic 'Diagram correlation'

Author: Grafiati
Published: 30 May 2022
Last updated: 31 May 2022

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Journal articles on the topic "Diagram correlation"

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Nugroho, Heru Santoso Wahito, Sanglar Polnok, Tanko Titus Auta, Ambo Dalle, Bahtiar Bahtiar, Pius Selasa, Koekoeh Hardjito, Atik Badi’ah, Fransiskus Salesius Onggang, and I. Putu Suiraoka. "What is a Good Way to Visualize the Positive Correlation between Two Numerical Variables?" Aloha International Journal of Multidisciplinary Advancement (AIJMU) 3, no. 2 (February 28, 2021): 24. http://dx.doi.org/10.33846/aijmu30201.

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Most of the results of correlation analysis between variables are not equipped with visualization, so it is deemed necessary to explain how best to visualize the results of correlation analysis, especially for numerical variables. In this case, the best way to present correlations between numerical variables is a scatter diagram. If the points on the diagram are closer to the straight line, the higher the correlation coefficient, meaning that the degree of correlation is getting stronger. In this case, the positive correlation is indicated by the line from the lower left to the upper right. This visualization helps clarify the reader's understanding of the results of the correlation analysis, as well as being a valuable lesson for their similar research projects. Keywords: positive correlation; correlation coefficient; visualization; scatter diagram
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Foerster, D. "Planar diagram approach to the correlation problem." Physical Review B 61, no. 8 (February 15, 2000): R5066—R5069. http://dx.doi.org/10.1103/physrevb.61.r5066.

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Lei, Ya-Juan. "X-ray cross-correlation analysis of the low-mass X-ray binary 4U 1636-53." Proceedings of the International Astronomical Union 10, S306 (May 2014): 397–99. http://dx.doi.org/10.1017/s1743921314010655.

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AbstractWe analyze the cross-correlation function of the soft and hard X-rays of the atoll source 4U 1636-53 with RXTE data. The results show that the cross-correlations evolve along the different branches of the color-color diagram. At the lower left banana states, we have both positive and ambiguous correlations, and positive correlations are dominant for the lower banana and the upper banana states. The anti-correlation is detected at the top of the upper banana states. The cross-correlations of two atoll sources 4U 1735-44 and 4U 1608-52 have been studied in previous work, and the anti-correlations are detected at the lower left banana or the top of the upper banana states. Our results show that, in the 4U 1636-53, the distribution of the cross-correlations in the color-color diagram is similar to those of 4U 1735-44 and 4U 1608-52, and confirm further that the distribution of cross-correlations in color-color diagram could be correlated with the luminosity of the source.
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Arifin, Mohammad Nazir, and Daniel Siahaan. "Structural and Semantic Similarity Measurement of UML Use Case Diagram." Lontar Komputer : Jurnal Ilmiah Teknologi Informasi 11, no. 2 (July 13, 2020): 88. http://dx.doi.org/10.24843/lkjiti.2020.v11.i02.p03.

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Reusing software has several benefits ranging from reducing cost and risk, accelerating development, and its primary purposes are improving software quality. In the early stage of software development, reusing existing software artifacts may increase the benefit of reusing software because it uses mature artifacts from previous artifacts. One of software artifacts is diagram, and in order to assist the reusing diagram is to find the level of similarity of diagrams. This paper proposes a method for measuring the similarity of the use case diagram using structural and semantic aspects. For structural similarity measurement, Graph Edit Distance is used by transforming each factor and use case into a graph, while for semantic similarity measurement, WordNet, WuPalmer,and Levenshtein were used. The experimentation was conducted on ten datasets from variousprojects. The results of the method were compared with the results of assessments from experts.The measurement of agreement between experts and method was done by using Gwet’s AC1 andPearson correlation coefficient. Measurement results with Gwet’s AC1 diagram similarity are 0,60,which were categorized as “moderate" agreement and the result of measurement with Pearsonis 0.506 which means there is a significant correlation between experts and methods. The resultshowed that the proposed method can be used to find the similarity of the diagram, so finding andreuse of the diagram as a software component can be optimized.
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Eryshev, Vladimir, Nickolay Karpenko, and Artur Zhemchuyev. "INTEGRAL PARAMETERS OF CONCRETE DIAGRAMS FOR CALCULATIONS OF STRENGTH OF REINFORCED CONCRETE ELEMENTS USING THE DEFORMATION MODEL." International Journal for Computational Civil and Structural Engineering 16, no. 1 (March 24, 2020): 25–37. http://dx.doi.org/10.22337/2587-9618-2020-16-1-25-37.

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In accordance with the requirements of regulatory documents, restrictions are introduced on stress levels at the end of the falling branch of the diagrams at the maximum normalized strain values. We have developed mathematical models that establish a uniform sequence for calculating the unambiguous values of deformations at the base points of concrete diagrams, taking into account the accepted functional relationships and the rules for their use according to the tables of normative documents. It was shown that for equal values of deformations and stresses at base points, analytical expressions of diagram recommended by regulatory documents, even if it differs in structure, give identical outlines, diagram branches coincide. The correlation between the calculation models by Russian and foreign regulatory documents was established by comparing the values of the integral parameters of the diagrams and the ultimate forces obtained by calculating the reinforced concrete element according to the deformation model. As integral parameters of concrete deformation diagrams, it was recommended to use areas bounded by diagram branches and diagram completeness coefficients. Analytical modeling of integral parameters allowed us to exclude the procedure for numerically summing stresses along elementary strips in a section and solving nonlinear equations by the method of successive approximations when calculating the strength of an element.
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Schulze, W., and D. Kolb. "H+2 correlation diagram from finite element calculations." Chemical Physics Letters 122, no. 3 (December 1985): 271–75. http://dx.doi.org/10.1016/0009-2614(85)80575-3.

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Amirfeyz, Rouin, Sanchit Mehendale, Sarah Tyrrell, Raj Bhatia, Ian Leslie, and Gordon Bannister. "KATZ AND STIRRAT HAND DIAGRAM REVISITED." Hand Surgery 15, no. 02 (January 2010): 71–73. http://dx.doi.org/10.1142/s0218810410004667.

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Katz and Stirrat devised a hand diagram, which uses subjective information from the patient for the diagnosis of carpal tunnel syndrome (CTS). They reported a good result. We tested the inter-observer and intra-observer reliability of this hand diagram. Twenty five consecutive patients with a diagnosis of CTS, 25 with other common hand and wrist problems but CTS and 25 healthy individuals were prospectively recruited. Each patient filled in a hand diagram. Two experienced hand surgeon scored the diagrams blindly on two different sittings four-week apart. The intra-class correlation coefficient (ICC) and Cohen's Kappa were used for intra and inter-observer reliability respectively. The intra-observer agreement was poor (ICC 95% 0.33–0.65) and inter-observer was fair (Kappa = 0.241). This study does not support the use of Katz and Stirrat Hand Diagram for the diagnosis of carpal tunnel syndrome in place if a thorough clinical examination.
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Li, Q., Z. Li, L. Chen, and C. Yao. "Regionalization of coaxial correlation diagrams for the semi-humid and semi-arid catchments in Northern China." Proceedings of the International Association of Hydrological Sciences 368 (May 7, 2015): 317–22. http://dx.doi.org/10.5194/piahs-368-317-2015.

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Abstract. This study aims to identify both hydrologically and physically similar catchments which would be the best donors for runoff prediction in ungauged catchments. For this study, eight gauged catchments located in the semi-humid and semi-arid regions of Northern China were used. Hydrological similarity was defined based on the transferability of coaxial correlation diagrams. The physical similarity among catchments was determined by a weighted Euclidean distance based on 19 catchment descriptors including catchment topography, land cover, and soil type. The overlap between hydrologically similar catchments and physically similar catchments was then analysed to identify the best donors. The results suggest that six catchments were hydrologically similar, of which four catchments were both hydrologically and physically similar. It is argued that once a reliable coaxial correlation diagram has been established, the coaxial correlation diagram can be transferred from one catchment to another for runoff prediction, provided that these catchments are physical similar.
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Zhang, Chun You, and Xiao Qiang Wu. "Intrusion Scenario Dynamic Correlation Algorithm Based on Single Value Causality Diagram." Advanced Materials Research 926-930 (May 2014): 3063–67. http://dx.doi.org/10.4028/www.scientific.net/amr.926-930.3063.

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In order to obtain the effective network intrusion alarm information, and reveal the intention of attackers, an intrusion scenario dynamic correlation algorithm is proposed based on single value causality diagram. According to the composition principle of single value causality diagram, the key factors of the cause and effect diagram are defined. By relating the alarm information of intrusion detection system, attack scenarios are constructed based on cause and effect diagram, and dynamic correction is conduct. Based on the MIT Lincoln laboratory data sets, the correlation test is done using the above attack scenario correlation algorithm. Test results show that the reconstruction of attack scenarios and actual condition have very good consistency, proving that the proposed correlation algorithm can correctly reflect the real hacker intrusion process. The research of this paper provides effective help for the security administrator to implement effective management measures.
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Li, Qiaoling, Zhijia Li, Yuelong Zhu, Yuanqian Deng, Ke Zhang, and Cheng Yao. "Hydrological regionalisation based on available hydrological information for runoff prediction at catchment scale." Proceedings of the International Association of Hydrological Sciences 379 (June 5, 2018): 13–19. http://dx.doi.org/10.5194/piahs-379-13-2018.

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Abstract. Regionalisation provides a way of transferring hydrological information from gauged to ungauged catchments. The past few decades has seen several kinds of regionalisation approaches for catchment classification and runoff predictions. The underlying assumption is that catchments having similar catchment properties are hydrological similar. This requires the appropriate selection of catchment properties, particularly the inclusion of observed hydrological information, to explain the similarity of hydrological behaviour. We selected observable catchments properties and flow duration curves to reflect the hydrological behaviour, and to regionalize rainfall-runoff response for runoff prediction. As a case study, we investigated 15 catchments located in the Yangtze and Yellow River under multiple hydro-climatic conditions. A clustering scheme was developed to separate the catchments into 4 homogeneous regions by employing catchment properties including hydro-climatic attributes, topographic attributes and land cover etc. We utilized daily flow duration curves as the indicator of hydrological response and interpreted hydrological similarity by root mean square errors. The combined analysis of similarity in catchment properties and hydrological response suggested that catchments in the same homogenous region were hydrological similar. A further validation was conducted by establishing a rainfall-runoff coaxial correlation diagram for each catchment. A common coaxial correlation diagram was generated for each homogenous region. The performances of most coaxial correlation diagrams met the national standard. The coaxial correlation diagram can be transferred within the homogeneous region for runoff prediction in ungauged catchments at an hourly time scale.
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Dissertations / Theses on the topic "Diagram correlation"

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Lie, Jonathan Ken 1977. "Correlation of data in the unified modeling language interaction diagram." Thesis, Massachusetts Institute of Technology, 2000. http://hdl.handle.net/1721.1/86541.

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Somerville, Jared. "The exploration of neurophysiological spike train data using visual analytics." Thesis, University of Plymouth, 2011. http://hdl.handle.net/10026.1/897.

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Neuroscientists are increasingly overwhelmed by new recordings of the nervous system. These recordings are significantly increasing in size due to new electrophysiological techniques, such as multi-electrode arrays. These techniques can simultaneously record the electrical activity (or spike trains) from thousands of neurons. These new datasets are larger than the traditional datasets recorded from single electrodes where fewer than ten spike trains are usually recorded. Consequently, new tools are now required to effectively analyse these new datasets. This thesis describes how techniques from the field of Visual Analytics can be applied to detect specific patterns in spike train data. These techniques are realised in a software tool called Neurigma. Neurigma is a collection of visual representations of spike train data that are unified to provide a coordinated representation of the data. The visual representations within Neurigma include: an interactive raster plot, an improved correlation grid, a novel representation called the correlation plot (which includes a novel coupling estimation algorithm), and a novel network diagram. These views provide insight into spike train data, and particularly, they identify correlated patterns, called functional connectivity. Within this thesis Neurigma is used to analyse synthetically generated datasets and experimental recordings. Three main findings are presented. First, propagating spiral patterns are identified within recordings from the neonatal mouse retina. Second, functional connectivity is identified within the cat visual cortex. Finally, the functional connectivity of a large synthetic dataset, of 1000 spike trains, is accurately classified into direct, indirect and common input coupling.
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YAMAMOTO, Kazuhiro, Yasuki NISHIZAWA, and Yoshiaki ONUMA. "Persistence of Laminar Flamelet Structure Under Highly Turbulent Combustion." The Japan Society of Mechanical Engineers, 2003. http://hdl.handle.net/2237/9003.

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Skvorchevsky, Alexander Evgenievich, and S. V. Larka. "Econometric models robust estimation practical aspects." Thesis, НТУ "ХПІ", 2016. http://repository.kpi.kharkov.ua/handle/KhPI-Press/28251.

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Althanyan, Mohammed S. "Use of nanoemulsion liquid chromatography (NELC) for the analysis of inhaled drugs. Investigation into the application of oil-in-water nanoemulsion as mobile phase for determination of inhaled drugs in dosage forms and in clinical samples." Thesis, University of Bradford, 2011. http://hdl.handle.net/10454/5184.

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There has been very little research into the bioanalytical application of Microemulsion High Performance Liquid Chromatography (MELC), a recently established technique for separating an active pharmaceutical ingredient from its related substances and for determining the quantity of active drug in a dose. Also, the technique is not good at separating hydrophilic drugs of very similar chemical structures. Different phase diagrams of oil (octane or ethyl acetate), co-surfactant (butanol), surfactant (sodium dodecyl sulphate (SDS) or Brij-35) and buffer (Phosphate pH 3) were developed and several nanoemulsion mobile phases identified. Nanoemulsion mobile phase that is, prepared with SDS, octane, butanol and a phosphate buffer, failed to separate hydrophilic compounds with a very close chemical structure, such as terbutaline and salbutamol. A nanoemulsion mobile phase containing a non-ionic surfactant (Brij-35) with ethyl acetate, butanol and a phosphate buffer, was, however, successful in achieving a base line separation, and the method was validated for simultaneous determination of terbutaline and salbutamol in aqueous and urine samples. An oil-in-water (O/W) NELC method was developed and validated for the determination of formoterol in an Oxis® Turbuhaler® using pre-column fluorescence derivatisation. Although the same mobile phase was extended for separation of formoterol in urine, the formoterol peak¿s overlap with endogenous peaks meant that fluorescence detection could not determine formoterol in urine samples. Solid phase extraction, concentrating the final analyte 40 times, enabled determination of a low concentration of formoterol in urine samples by UV detection. The method was validated and an acceptable assay precision %CV <4.89 inter-day and %CV <2.33 intra-day was achieved. Then after the application of O/W nanoemulsion mobile phase for HPLC was extended for the separation of lipophilic drugs. The nanoemulsion liquid chromatography (NELC) method was optimised for the determination of salmeterol and fluticasone propionate in good validation data was achieved. This thesis shows that, in general, the performance of O/W NELC is superior to that of conventional High Performance Liquid Chromatography (HPLC) for the analysis of both hydrophilic and lipophilic drugs in inhaled dosage formulations and urine samples. It has been shown that NELC uses cheaper solvents and that analysis time is faster for aqueous and urine samples. This considerable saving in both cost and time will potentially improve efficiency within quality control.
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Althanyan, Mohammed Saad. "Use of nanoemulsion liquid chromatography (NELC) for the analysis of inhaled drugs : investigation into the application of oil-in-water nanoemulsion as mobile phase for determination of inhaled drugs in dosage forms and in clinical samples." Thesis, University of Bradford, 2011. http://hdl.handle.net/10454/5184.

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There has been very little research into the bioanalytical application of Microemulsion High Performance Liquid Chromatography (MELC), a recently established technique for separating an active pharmaceutical ingredient from its related substances and for determining the quantity of active drug in a dose. Also, the technique is not good at separating hydrophilic drugs of very similar chemical structures. Different phase diagrams of oil (octane or ethyl acetate), co-surfactant (butanol), surfactant (sodium dodecyl sulphate (SDS) or Brij-35) and buffer (Phosphate pH 3) were developed and several nanoemulsion mobile phases identified. Nanoemulsion mobile phase that is, prepared with SDS, octane, butanol and a phosphate buffer, failed to separate hydrophilic compounds with a very close chemical structure, such as terbutaline and salbutamol. A nanoemulsion mobile phase containing a non-ionic surfactant (Brij-35) with ethyl acetate, butanol and a phosphate buffer, was, however, successful in achieving a base line separation, and the method was validated for simultaneous determination of terbutaline and salbutamol in aqueous and urine samples. An oil-in-water (O/W) NELC method was developed and validated for the determination of formoterol in an Oxis® Turbuhaler® using pre-column fluorescence derivatisation. Although the same mobile phase was extended for separation of formoterol in urine, the formoterol peak's overlap with endogenous peaks meant that fluorescence detection could not determine formoterol in urine samples. Solid phase extraction, concentrating the final analyte 40 times, enabled determination of a low concentration of formoterol in urine samples by UV detection. The method was validated and an acceptable assay precision %CV <4.89 inter-day and %CV <2.33 intra-day was achieved. Then after the application of O/W nanoemulsion mobile phase for HPLC was extended for the separation of lipophilic drugs. The nanoemulsion liquid chromatography (NELC) method was optimised for the determination of salmeterol and fluticasone propionate in good validation data was achieved. This thesis shows that, in general, the performance of O/W NELC is superior to that of conventional High Performance Liquid Chromatography (HPLC) for the analysis of both hydrophilic and lipophilic drugs in inhaled dosage formulations and urine samples. It has been shown that NELC uses cheaper solvents and that analysis time is faster for aqueous and urine samples. This considerable saving in both cost and time will potentially improve efficiency within quality control.
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Yang, Huaiyu. "Investigations intothe crystallization of butyl paraben." Licentiate thesis, KTH, Teknisk strömningslära, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-34051.

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In thisproject, solubility of butyl paraben in 7 puresolvents and 5 ethanol aqueous solvents has been determined at from 1 ℃to 50 ℃. Thermodynamic properties of butyl paraben have been measured by DifferentialScanning Calorimetey. Relationship between molar solubility of butyl paraben in6 pure solvents and thermodynamic properties has been analyzed. Thisrelationship suggests a method of estimating activity of solute at equilibrium fromcombining solubility data with DSC measurements. Then, activity coefficient accordingto the solubility at different temperatures can be estimated. Duringthe solubility measurements in ethanol aqueous solvents, it is found that whenbutyl paraben is added into aqueous solutions with certain proportion ethanol,solutions separates into two immiscible liquid layers in equilibrium. Water andethanol are primary in top layer, while the butyl paraben is primary in bottomlayer, but the solution turns to cloudy when two layers of solution are mixed. Theaim of this work was to present the phase behaviour of liquid-liquid-phaseseparation for (butyl paraben + water + ethanol) ternary system from 1 ℃ to 50 ℃at atmospheric pressure. Thearea of liquid-liquid-phase separation region in the ternary phase diagram increaseswith the increasing temperature from 10 ℃to 50 ℃. In thisstudy, more than several hundreds of nucleation experiments of butyl paraben havebeen investigated in ethyl acetate, propanol, acetone and 90% ethanol aqueoussolution. Induction time of butyl paraben has been determined at 3 differentsupersaturation levels in these solvents, respectively. Free energy ofnucleation, solid-liquid interfacial energy, and nuclei critical radius havebeen determined according to the classical nucleation theory. Statistical analysis ofinduction time reveals that the nucleation is a stochastic process with widevariation even at the same experiment condition. Butyl paraben nucleates most difficultlyin 90 % ethanol than in other 3 solvents, and most easily in acetone. The interfacialenergy of butyl paraben in these solvents tends to increasing with decreasemole fraction solubility in these solvents. Coolingcrystallizations with different proportions of butyl paraben, water and ethanolhave been observed by Focused Beam Reflectance Method, Parallel VirtualMachine, and On-line Infrared. The FBRM, IR curves and the PVM photos show someof the solutions appeared liquid-liquid phase separation during coolingcrystallization process. The results suggest that if solutions went throughliquid-liquid phase separation region during the cooling crystallizationprocess the distribution of crystals crystal was poor. Droplets from solutions withsame proportion butyl paraben but different proportions of water and ethanolhave been observed under microscope. Induction time of the droplets has been determinedunder the room temperature. Droplets from top layer or bottom layer of solutionwith liquid-liquid phase separation on small glass or plastic plates were alsoobserved under microscope. The microscope photos show that the opposite flows ofcloudy solution on the glass and the plastic plate before nucleation. The resultsof the cooling and evaporation crystallization experiments both revealed thatnucleation would be prevented by the liquid-liquid phase separation.
QC 20110630
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Duhem, François. "Diagramme de phase du réseau Kondo : aspects statiques et dynamiques." Université Joseph Fourier (Grenoble), 1999. http://www.theses.fr/1999GRE10121.

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Nous avons fait une etude theorique de certaines proprietes du reseau kondo dans sa phase paramagnetique, utilisant un modele incorporant des correlations antiferromagnetiques a courte portee. Nous nous sommes limites au cas de la bande de conduction a moitie pleine et avons utilise une methode de champ moyen. Les resultats obtenus sont les suivants : _ on montre qu'il est possible d'obtenir des solutions metalliques pour une bande de conduction a moitie pleine en modifiant la structure de bande, ceci nous amene a definir une temperature de transition isolant-metal qui est comparee aux temperatures kondo et de coherence. _ nous recherchons ensuite des phases magnetiquement ordonnees par deux methodes : introduction d'un moment magnetique sur chaque site comme parametre de champ moyen et etude de la susceptibilite statique en rpa. Nous obtenons ainsi des phases purement kondo ou purement magnetiques, mais nous n'avons pas trouve de phase mixte kondo-magnetique. _ les fluctuations des parametres kondo et magnetique sont ensuite traitees dans le cadre de l'approximation rpa. Ceci permet de calculer leur contribution a la chaleur specifique. Un comportement de fermion lourd est mis en evidence pour certaines valeurs des constantes de couplage. Au voisinage de la transition isolant-metal, un comportement de non liquide de fermi est obtenu.
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Abreu, Leandro de. "Métodos Monte Carlo Quântico e Outer Valence Green's function aplicados na obtenção de energias de ionização de sistemas atômicos e moleculares e na construção e interpretação de diagramas de correlação." [s.n.], 2011. http://repositorio.unicamp.br/jspui/handle/REPOSIP/249227.

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Orientador: Rogério Custodio
Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Química
Made available in DSpace on 2018-08-18T08:56:05Z (GMT). No. of bitstreams: 1 Abreu_Leandrode_M.pdf: 3333566 bytes, checksum: 9df2fe3268e83e70fae31b792fc76513 (MD5) Previous issue date: 2011
Resumo: Este trabalho avaliou o cálculo de energias de ionização verticais e as possibilidades de construção e interpretação de diagramas de correlação através do uso dos métodos Monte Carlo Quântico (MCQ) e Outer Valence Green¿s Function (OVGF). O trabalho foi dividido em quatro partes: Energias de ionização simples: Avaliou-se a capacidade dos métodos MCQ e OVGF em descrever os valores de energia de ionização de valência e de caroço e testou-se o uso de funções de onda relaxadas. A faixa dos desvios observados obtidas com o método Monte Carlo Quântico de Difusão (MCQD), em relação aos valores experimentais, é comparável a de outros métodos, como DFT (Teoria do Funcional de Densidade - Density Functional Theory) e CCGF (Funções de Green com Pares Acoplados - Coupled-Cluster Green¿s Function), 0,01 a 2 eV, e verificou-se que uso das funções de onda relaxadas é importante na descrição das ionizações de caroço. Energias de ionização sucessivas: Estimou-se as energias de ionização sucessivas dos elementos do 2º período a partir das energias orbitais do sistema neutro e comparou-se com resultados obtidos através dos métodos MCQ utilizando-se a função de onda do sistema não-ionizado. Pode-se demonstrar a falha das energias orbitais em descrever as energias de ionização sucessivas e obter correções com o uso dos métodos MCQ. Diagramas de correlação: Construíram-se diagramas de energia eletrônica total e de correlação quantitativos utilizando energia de ionização como binding energy para moléculas do tipo BAB (H2O e Li2O) através do uso dos métodos MCQ. Foram construídos diagramas de cargas parciais de Bader através das distribuições discretas de carga obtidas com os métodos MCQ para tentar interpretar os diagramas de correlação, porém a interpretação por comparação direta não foi possível, contudo foram obtidas informações importantes através dos diagramas de cargas parciais. Energias de dupla ionização: Foram calculadas energias de dupla ionização de sistemas atômicos e moleculares através do método OVGF e compararam-se os resultados obtidos com a Teoria do Funcional de Densidade (DFT). O método OVGF mostrou-se tão preciso quanto a teoria DFT na descrição das energias de dupla ionização
Abstract: The study was divided into 4 parts: Simple Ionization Energies: We evaluated the ability of MQC and OVGF methods in describing the values of the ionization energy of valence and core and tested the use of relaxed wave functions. The range of deviations obtained with the method of diffusion quantum Monte Carlo (MCQD), in relation to the experimental values, is comparable to other methods such as DFT (Density Functional Theory) and CCGF (Coupled-Cluster Green's Function), from 0.01 to 2 eV, and it was found that the use of the relaxed wave functions is important in the description of core ionizations. Successive Ionization Energies: We estimated the successive ionization energies of successive elements of the 2nd period from the orbital energies of the neutral system and compared with results obtained using the methods MCQ with the wave function of nonionized system. It can be shown the failure of the orbital energies to describe the successive ionization energies and to obtain corrections with the use of MCQ methods. Correlation Diagrams: Diagrams of total electronic energy and quantitative correlation diagrams were constructed using the ionization energy as binding energy for molecules of the type BAB (Li2O and H2O) through the use of MCQ methods. We constructed Bader¿s partial charges diagrams with the discrete charge distributions obtained with MCQ methods to try to interpret the correlation diagrams, but the interpretation by direct comparison was not possible, however, important information was obtained through diagrams of partial charges. Double Ionization Energies: We calculated double ionization energies of atomic and molecular systems by the OVGF method and compared the results obtained with the Density Functional Theory (DFT). The OVGF method proved to be as accurate as the DFT theory in describing the double ionization energies
Mestrado
Físico-Química
Mestre em Química
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Ferhat, Karim. "Fluctuations quantiques dans des systèmes de spins et de charges en interaction." Thesis, Université Grenoble Alpes (ComUE), 2017. http://www.theses.fr/2017GREAY087/document.

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Cette thèse s'intéresse à deux types de systèmes de différents degrés de liberté en interaction, et soumis à des fluctuations quantiques.Dans le premier projet abordé dans le manuscrit, on établit un diagramme de phase d'électrons en interactions dans un cristal bidimensionnel à géométrie kagome. Ce diagramme de phase est dressé en fonction de deux paramètres étant les interactions coulombiennes entre électrons sur un même atome pour le premier, et sur des atomes plus proches voisins pour le second. Les énergies caractéristiques de ces deux interactions sont quantifiées par rapport à une énergie de référence étant celle des fluctuations quantiques. On met alors en évidence quatre phases dont deux sont nouvelles, alors que les deux autres font le lien avec la littérature déjà existante, et sont en accord avec cette dernière. Ces deux nouvelles phases émergent lorsque l'énergie de répulsion coulombienne entre électrons sur un même atome domine devant l’énergie caractéristique des fluctuations quantiques. En présence d’une forte répulsion coulombienne entre électrons sur des atomes plus proches voisins, les charges électroniques ne peuvent se délocaliser pour former des ondes de Bloch et sont soumis à ce que l’on appelle une contrainte locale de charge. Apparaissent alors sous la compétition de ces deux interactions coulombiennes, des modes unidimensionnels collectifs le long des chaines d’atomes antiferromagnétiquement ordonnées. Ces modes ont la particularité d’être stabilisés à la fois par les fluctuations des degrés de liberté de spin, et de charge des électrons. La seconde de ces nouvelles phases émerge lorsque la répulsion coulombienne entre électrons sur des atomes voisins devient faible devant les fluctuations quantiques. La contrainte locale est alors relâchée et les électrons forment des ondes de Bloch le long de ce qui s’apparente à des bulles quantiques unidimensionnelles et polarisées en spin. Ces bulles sont alors piégées dans un cristal d’électrons inversement polarisés, avec lesquels elles sont en interaction antiferromagnétique.Le second projet porte sur l’étude d’un aimant moléculaire de Terbium Double-Decker. Cette molécule peut être modélisée par trois degrés de liberté interagissant en cascade les uns avec les autres. Le premier d’entre eux est un degré de liberté de spin nucléaire porté par le noyau de l’ion terbium de la molécule. Ce spin nucléaire est en interaction d’échange avec un degré de liberté de spin électronique porté par les électrons de l’ion terbium. Enfin, en première approximation, ce spin électronique génère un champ dipolaire auquel sont soumis les deux ligands de l’aimant moléculaire. Ces deux ligands sont couplés à deux électrodes de source et de drain, assurant le transport d’électrons uniques à travers ces deniers. Le tout forme donc un transistor à électron unique dans lequel les ligands servent de boîte quantique. Par mesure de magnéto-conductance, il est donc possible par une lecture en cascade, de remonter à l’état du spin électronique et du spin nucléaire. La première étape du projet a donc consisté à établir un modèle décrivant l’aimant moléculaire couplé à ces deux électrodes, afin de prédire les mesures de conductance réalisées au travers du transistor lors des thèses de Stefen Thiele et Clément Godfrin. Les résultats théoriques et expérimentaux obtenus sont en accord quantitatifs.D’autres part, à l’aide de champs électriques radio-fréquences, il est possible de manipuler expérimentalement et de façon cohérente le spin nucléaire. Cette manipulation cohérente du spin nucléaire se fait par l’intermédiaire du nuage électronique de l’ion, et permet ainsi d’être en mesure de réaliser un algorithme quantique sur le spin nucléaire de l’ion terbium. La réalisation d’un programme de simulation a permis de guider la réalisation expérimentale de l’algorithme de Grover, lequel a été implémenté avec succès au cours de la thèse de Clément Godfrin
This thesis focuses on two different spin and charge systems, interacting under the effect of quantum fluctuations.The first project highlights the phase diagram of interacting electrons on a kagome lattice. This diagram is driven by two Coulomb repulsions. The first is a on site repulsion, and the second a nearest neighbor one. These two repulsions are in competition with quantum fluctuations of electronic charges. Four phases are depicted, two are unknown and the two other are in agreement with the literature. The two new phases are stabilized in the strong on site repulsion regime. When nearest neighbor repulsions are strong enough to induce a charge local constraint, the system enters in a so called Heisenberg-Loop Phase. These loops are antiferromagnetically arranged and can be described by a Heisenberg-like model in which both charge and spin play surprisingly a role in the exchange interaction. The second new phase is stabilized in the regime where nearest neighbor interactions are too weak to maintain the local constraint. Then, half of the electrons are delocalized in unidimensional Bloch states similar to quantum polarized electronic bubbles. These bubbles are trapped in an inversely polarized electronic cristal formed by the other electrons. This peculiar phase is favored by both quantum charge fluctuations in the bubbles, and antiferromagnetic exchanges between their electrons and the cristal ones.The second project deals with a Terbium Double-Decker molecular magnet. This molecule is modeled by three interacting degrees of freedom. The first is a nuclear spin of the Terbium ion, and the second is the electronic spin of this same ion. The two spins interact via a magnetic exchange.In a first approximation, the effect of the electronic spin is to induce a dipolar field. Finally, the last degree of freedom is carried by two ligands under the influence of the dipolar field. The ligands play the role of a read-out quantum dot, and by conductance measurements through this last one, we can probe the electronic spin and then, the nuclear spin. The first step of this project highlights the modeling of the global system. Then numerical computations are depicted and are in a quantitative agreement with the experimental measurements realized during the thesis of Stefan Thiele and Clément Godfrin.On the other hand, by applying electrical Radio Frequency Fields, we can drive quantum fluctuations on the nuclear spin. This quantum manipulation of the spin is realized by the dynamic deformation of the electron cloud under the effect of the Radio Frequency Field. As a result, we are able to implement a Grover Quantum Algorithm on the nuclear field. This thesis focuses on the realization of a simulation program that was a tool used by Clément Godfrin to successfully implement the Grover Algorithm
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Books on the topic "Diagram correlation"

1

O'Sullivan, Robert Brett. Correlation of Jurassic San Rafael group, Junction Creek Sandstone, and related rocks from McElmo Canyon to Salter Canyon in Southwestern Colorado. Reston, VA: U.S. Geological Survey, 1995.

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O'Sullivan, Robert Brett. Correlation of Middle Jurassic and related rocks from Slick Rock to Salter Canyon in southwestern Colorato. Reston, VA: U.S. Geological Survey, 1995.

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Barthel, Josef. Electrolyte data collection: Tables, diagrams, correlations, and literature survey. Frankfurt am Main, Germany: DECHEMA, 1992.

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Barthel, Josef. Electrolyte data collection.: Tables, diagrams, correlations and literature survey. Frankfurt/Main: DECHEMA, 1993.

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United Nations. Economic and Social Commission for Asia and the Pacific. Stratigraphic correlation between sedimentary basins of the ESCAP region, volume XII: ESCAP atlas of stratigraphy VI : Socialist Republic of Viet Nam. New York: United Nations, 1986.

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United Nations. Economic and Social Commission for Asia and the Pacific. Stratigraphic correlation between sedimentary basins of the ESCAP region, volume X ; ESCAP atlas of stratigraphy IV: People's Republic of China. New York: United Nations, 1985.

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United Nations. Economic and Social Commission for Asia and the Pacific. Stratigraphic correlation between sedimentary basins of the ESCAP region, volume XI: ESCAP atlas of stratigraphy V : Republic of Korea. New York: United Nations, 1985.

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Pacific, United Nations Economic and Social Commission for Asia and the. Stratigraphic correlation between sedimentary basins of the ESCAP region, volume XIII: ESCAP atlas of stratigraphy VII : Triassic of Asia, Australia, and the Pacific. New York: United Nations, 1988.

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Pacific, United Nations Economic and Social Commission for Asia and the. Stratigraphic correlation between sedimentary basins of the ESCAP region, volume XIV: ESCAP atlas of stratigraphy VIII : Afghanistan, Australia. New York: United Nations, 1990.

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Gmehling, Jürgen. Vapor-liquid equilibrium data collection: Tables and diagrams of data for binary and multicomponent mixtures up to moderate pressures. Constants of correlation equations for computer use. Frankfurt am Main: DECHEMA, 1991.

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Book chapters on the topic "Diagram correlation"

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Li, Junrui, Xin Xie, Guobiao Yang, Changqing Du, and Lianxiang Yang. "Forming Limit Diagram Determination Using Digital Image Correlation: A Review." In International Digital Imaging Correlation Society, 59–61. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-51439-0_14.

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Lang, Michael, Jens Müller, Frank Steglich, John Schlueter, and Takahiko Sasaki. "Exploring the Phase Diagram of the Quasi-2D Organic Superconductors κ -(BEDT-TTF)2X." In Concepts in Electron Correlation, 85–93. Dordrecht: Springer Netherlands, 2003. http://dx.doi.org/10.1007/978-94-010-0213-4_9.

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Ueda, K. "Phase Diagram of the One-Dimensional Kondo-Lattice Model." In Correlation Effects in Low-Dimensional Electron Systems, 107–12. Berlin, Heidelberg: Springer Berlin Heidelberg, 1994. http://dx.doi.org/10.1007/978-3-642-85129-2_10.

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Gudlaugsson, Bjarnhedinn, Huda Dawood, Gobind Pillai, and Michael Short. "First Step Towards a System Dynamic Sustainability Assessment Model for Urban Energy Transition." In Springer Proceedings in Energy, 225–32. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-63916-7_28.

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AbstractThis paper presents a conceptual model that describes the correlation between an urban energy system and sustainability. The model captures the complexity of the urban energy transition, and the task of achieving sustainable development needs to embrace all aspects of sustainability. This paper portrays the aspects of sustainability as four-dimensional—Environment, Economic, Society, and Technology. The relationship between these four dimensions and the urban energy system is presented in a simplified and aggregated-qualitative based causal-loop diagram. The causal-loop diagram illustrates the causal and interconnective relationships between the four dimensions and their different variables. The causal-loop diagram describes the complex dynamic relationships within a simple urban energy system. The paper also provides a brief description of balancing and reinforcing loops, with the causal-loop diagram present. The conceptual model along with the causal-loop diagrams visually illustrate the dynamic relationship between the four dimensions as well as highlights the complexity and challenging problems that decision-makers are facing today when it comes energy planning and energy system development.
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Shaik, Sason S. "The Collage of SN2 Reactivity Patterns: A State Correlation Diagram Model." In Progress in Physical Organic Chemistry, 197–337. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470171943.ch4.

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Vallespín Muniesa, Aurelio, Noelia Cervero Sánchez, and Victoria González Gómez. "Teaching Drawing as a Code or Diagram—Mirror or Map—, and Its Correlation with the Right or Left Brain Hemispheres." In Architectural Draughtsmanship, 555–63. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-58856-8_43.

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Ishiguro, Takehiko, and Hiroshi Ito. "Structure and Phase Diagram of Organic Superconductors." In Pair Correlations in Many-Fermion Systems, 135–46. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4899-1555-9_8.

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Lawson, A. C., Joyce A. Roberts, Barbara Martinez, and James W. Richardson. "Electron Correlation and Plutonium Phase Diagrams." In Electron Correlations and Materials Properties 2, 21–41. Boston, MA: Springer US, 2002. http://dx.doi.org/10.1007/978-1-4757-3760-8_2.

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Liboff, Richard L. "Atoms in Crystals and Correlation Diagrams." In Primer for Point and Space Groups, 136–59. New York, NY: Springer New York, 2004. http://dx.doi.org/10.1007/978-1-4684-9383-2_6.

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Lesk, Arthur M. "Symmetry Properties of Molecular Orbitals; Correlation Diagrams." In Introduction to Symmetry and Group Theory for Chemists, 83–92. Dordrecht: Springer Netherlands, 2004. http://dx.doi.org/10.1007/1-4020-2151-8_9.

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Conference papers on the topic "Diagram correlation"

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Qi, Yaoguang, Zhuang Li, and Fenna Zhang. "Aapplication of Correlation diagram method in the oil field." In 2018 8th International Conference on Manufacturing Science and Engineering (ICMSE 2018). Paris, France: Atlantis Press, 2018. http://dx.doi.org/10.2991/icmse-18.2018.65.

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Janna, William S. "Calculations of Pressure Drop in a Circular Duct Using the Traditional Method Compared to That Using the Constricted Flow Diameter." In ASME 2009 International Mechanical Engineering Congress and Exposition. ASMEDC, 2009. http://dx.doi.org/10.1115/imece2009-10057.

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The traditional method of calculating pressure drop in a pipe that conveys a fluid involves use of the Moody Diagram. This diagram is a correlation of data with friction factor plotted as a function of Reynolds number and relative roughness. A new graphical representation of these data has been formulated, and makes use of what is known as the constricted flow diameter. The background for this new correlation is based on using a pipe diameter less twice the average roughness height. A new “modified” Moody Diagram has been produced based on the constricted flow diameter. The presence of roughness features on the inside pipe wall has an effect on the flow along the pipe surface which is not accounted for in the traditional Moody diagram. The new diagram accounts for this effect. To demonstrate the use of the new diagram, several example problems have been formulated and solved using the traditional and the modified diagrams. Calculations indicate that at the smaller pipe sizes, the use of the constricted flow diameter yields significantly different results from those obtained in the traditional way. These results have a major influence on modeling flows in mini- and in micro-channels. Laminar and turbulent flows are both affected.
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Vergerio, S., J.-P. Rossi, and P. Sabouroux. "Influence of coupling and diagram correlation on MIMO capacity performances at 2 GHz." In 2006 Asia-Pacific Microwave Conference. IEEE, 2006. http://dx.doi.org/10.1109/apmc.2006.4429807.

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Bertini, Francesco, Enrico Ampellio, Michele Marconcini, and Matteo Giovannini. "A Critical Numerical Review of Loss Correlation Models and Smith Diagram for Modern Low Pressure Turbine Stages." In ASME Turbo Expo 2013: Turbine Technical Conference and Exposition. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/gt2013-94849.

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The Smith diagram, originally published in 1965, has been largely exploited as a preliminary design (PD) tool for axial turbines. Currently, it is applied to aeronautical Low Pressure Turbines (LPTs) in order to define basic characteristics during the feasibility study and to compare different configurations. The Smith diagram represents a correlation of stage performance (η) as function of flow coefficient (ϕ) and loading factor (Ψ), but it does not take into account the effects of some important input parameters (individual contributions of loss, Reynolds number, Aspect Ratio, Rotor Tip Clearance (RTC)) and does not report some key design outputs (deflection angles (δ), profile weights and stresses), which have also a direct relation with the configuration position on the Smith diagram. This study employs meanline analyses incorporating traditional loss correlation models used in the turbine field to compare results with the original Smith diagram. The correlation approach allows one to obtain other important multidisciplinary information (primarily aero-mechanical) which was previously absent, which leads to some strategic design achievements. The investigation process is based on a reference two-stage turbine properly set to match specific operating points on the Smith diagram. Several three-dimensional blade geometries have been prepared and then detailed 3D CFD analyses have been performed in order to acquire confidence with respect to the meanline results. This research adds important information for turbine module design to the Smith chart and allows for a numerical revision of the diagram itself, fine tuning it with data obtained from the analyses of modern blades optimized for high stage performance. Finally numerically-based loss predictors, broadly applicable to LPTs during optimization procedures before detailed CFD analyses, are presented and discussed.
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Zhang, Ling, Jianping Lin, Li Sun, Chen Wang, and Li Wang. "A New Method for Determination of Forming Limit Diagram Based on Digital Image Correlation." In SAE 2013 World Congress & Exhibition. 400 Commonwealth Drive, Warrendale, PA, United States: SAE International, 2013. http://dx.doi.org/10.4271/2013-01-1421.

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Pralgauskaite, S., J. Matukas, V. Palenskis, E. Sermuksnis, and J. Vysniauskas. "Correlation Function Method for Semiconductor Laser Optical Noise Investigation and Fluctuations of Directivity Diagram of Laser Radiation." In 2006 International Conference on Microwaves, Radar & Wireless Communications. IEEE, 2006. http://dx.doi.org/10.1109/mikon.2006.4345134.

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Abdalla, Hany F., Maher Y. A. Younan, and Mohammad M. Megahed. "Shakedown Analysis of a Cylindrical Vessel-Nozzle Intersection Subjected to Steady Internal Pressures and Cyclic Out-of-Plane Bending Moments." In ASME 2012 Pressure Vessels and Piping Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/pvp2012-78674.

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In the current research, the shakedown limit loads of a cylindrical vessel–nozzle intersection are determined via a simplified technique. The cylindrical vessel–nozzle intersection is subjected to a spectrum of steady internal pressure magnitudes and cyclic out–of–plane bending moments on the nozzle. The determined shakedown limit loads, forming the shakedown boundary, are utilized to generate the Bree diagram of the cylindrical vessel–nozzle intersection. In addition to the determined shakedown boundary, the Bree diagram includes the maximum moment carrying capacity (limit moments) and the elastic limit loads. The currently generated Bree diagram is compared with previously generated Bree diagram of the same structure, but subjected to in–plane bending. Noticeable differences regarding the magnitudes of the generated shakedown boundaries are observed. Moreover, only failure due to reversed plasticity response occurs upon exceeding the generated shakedown boundary unlike cyclic in–plane bending where the structure experienced both reversed plasticity and ratchetting failure responses. The simplified technique outcomes showed excellent correlation with the results of full elastic–plastic cyclic loading finite element simulations.
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Frey, Daniel D., and Kevin N. Otto. "The Process Capability Matrix: A Tool for Manufacturing Variation Analysis at the Systems Level." In ASME 1997 Design Engineering Technical Conferences. American Society of Mechanical Engineers, 1997. http://dx.doi.org/10.1115/detc97/dfm-4348.

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Abstract This paper introduces the concept of a process capability matrix — an ordered set of dimensionless parameters that capture information on a manufacturing system’s response to noises. The matrix captures information on the magnitude of noise, sensitivity to noise, and tolerance to variation. Algorithms and equations are presented that use the matrix to compute the yield of a manufacturing system. The method proves to be accurate on real engineering problems for which existing techniques are inadequate due to statistical correlation among product acceptance criteria. The process capability matrix also proves useful in a new type of block diagram of production systems. The block diagrams are shown to be useful in evaluating the effectiveness of feedforward control strategies for variation reduction. An electronics assembly process serves as an example of the algorithms and their use in design decision making.
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Bakhle, Milind A., Jong S. Liu, Josef Panovsky, Theo G. Keith, and Oral Mehmed. "Calculation and Correlation of the Unsteady Flowfield in a High Pressure Turbine." In ASME Turbo Expo 2002: Power for Land, Sea, and Air. ASMEDC, 2002. http://dx.doi.org/10.1115/gt2002-30322.

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Forced vibrations in turbomachinery components can cause blades to crack or fail due to high-cycle fatigue. Such forced response problems will become more pronounced in newer engines with higher pressure ratios and smaller axial gap between blade rows. An accurate numerical prediction of the unsteady aerodynamics phenomena that cause resonant forced vibrations is increasingly important to designers. Validation of the computational fluid dynamics (CFD) codes used to model the unsteady aerodynamic excitations is necessary before these codes can be used with confidence. Recently published benchmark data, including unsteady pressures and vibratory strains, for a high-pressure turbine stage makes such code validation possible. In the present work, a three dimensional, unsteady, multi blade-row, Reynolds-Averaged Navier Stokes code is applied to a turbine stage that was recently tested in a short duration test facility. Two configurations with three operating conditions corresponding to modes 2, 3, and 4 crossings on the Campbell diagram are analyzed. Unsteady pressures on the rotor surface are compared with data.
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Abdalla, Hany F., Maher Y. A. Younan, and Mohammad M. Megahed. "Determination of Shakedown Limit Loads for a Cylindrical Vessel–Nozzle Intersection via a Simplified Technique." In ASME 2011 Pressure Vessels and Piping Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/pvp2011-57108.

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In the current research, the shakedown limit loads for a cylindrical vessel–nozzle intersection is determined via a simplified technique. The cylindrical vessel–nozzle intersection is subjected to a spectrum of steady internal pressure magnitudes and cyclic in–plane bending moments on the nozzle. The determined shakedown limit loads are utilized to generate the Bree diagram of the cylindrical vessel–nozzle intersection. In addition, the maximum moment carrying capacity (limit moments) and the elastic limit loads are determined and imposed on the Bree diagram of the structure. The simplified technique outcomes showed excellent correlation with the results of full elastic–plastic cyclic loading finite element simulations.
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Reports on the topic "Diagram correlation"

1

Diagrams showing proposed correlation and nomenclature of Eocene and Paleocene coal beds in the Birney 30' x 60' Quadrangle, Big Horn, Rosebud, and Powder River counties, Montana. US Geological Survey, 1987. http://dx.doi.org/10.3133/coal113.

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Isopach maps, perspective projections, and correlation diagrams of the Paleocene Flowers-Goodale coal resource unit in the northern Powder River basin, Birney and Broadus 30' x 60' quadrangles, Montana-Wyoming. US Geological Survey, 1990. http://dx.doi.org/10.3133/coal136a.

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Fence diagram showing coal bed correlations within the upper part of the Fort Union Formation, in and adjacent to the eastern part of the Kaycee 30' x 60' Quadrangle, Johnson and Campbell counties, Wyoming. US Geological Survey, 1986. http://dx.doi.org/10.3133/coal107.

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