Academic literature on the topic 'Density Evolution (DE)'

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Journal articles on the topic "Density Evolution (DE)"

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Pang, Xiaoyan, Chen Feng, and Xinying Zhao. "Evolution of spin density vectors in a strongly focused composite field." Chinese Optics Letters 19, no. 2 (2021): 022601. http://dx.doi.org/10.3788/col202119.022601.

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Seppänen, Anne, and Kalle Parvinen. "Evolution of Density-Dependent Cooperation." Bulletin of Mathematical Biology 76, no. 12 (September 12, 2014): 3070–87. http://dx.doi.org/10.1007/s11538-014-9994-y.

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Heuser, P., and V. Lamzin. "Density modification by directed evolution of electron-density maps." Acta Crystallographica Section A Foundations of Crystallography 64, a1 (August 23, 2008): C220. http://dx.doi.org/10.1107/s0108767308092921.

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Wang, C. C., S. R. Kulkarni, and H. V. Poor. "Density Evolution for Asymmetric Memoryless Channels." IEEE Transactions on Information Theory 51, no. 12 (December 2005): 4216–36. http://dx.doi.org/10.1109/tit.2005.858931.

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Brüning, E., and F. Petruccione. "Density Matrices and Their Time Evolution." Open Systems & Information Dynamics 15, no. 02 (June 2008): 109–21. http://dx.doi.org/10.1142/s1230161208000109.

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Already in the case of finite dimensional Hilbert spaces [Formula: see text] the general form of density matrices ρ is not known. The main reason for this lack of knowledge is the nonlinear constraint for these matrices. We propose a representation of density matrices on finite dimensional Hilbert spaces in terms of finitely many independent parameters. For dimensions 2, 3, and 4 we write down this representation explicitly. As a further application of this representation we study the time dependence of density matrices ρ(t) which in our case is implemented through time dependence of the independent parameters. Under obvious differentiability assumptions the explicit form of [Formula: see text] is determined. As a special case we recover, for instance, the Lindblad form.
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Travis, Justin M. J., David J. Murrell, and Calvin Dytham. "The evolution of density–dependent dispersal." Proceedings of the Royal Society of London. Series B: Biological Sciences 266, no. 1431 (September 22, 1999): 1837–42. http://dx.doi.org/10.1098/rspb.1999.0854.

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Fisher, Karl B., Michael A. Strauss, Marc Davis, Amos Yahil, and John P. Huchra. "The density evolution of IRAS galaxies." Astrophysical Journal 389 (April 1992): 188. http://dx.doi.org/10.1086/171196.

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Balitsky, I. I., and A. V. Belitsky. "Nonlinear evolution in high-density QCD." Nuclear Physics B 629, no. 1-3 (May 2002): 290–322. http://dx.doi.org/10.1016/s0550-3213(02)00149-9.

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Braun, Mikhail, and Gian Paolo Vacca. "Evolution of the gluon density in." European Physical Journal C 4, no. 1 (1998): 85. http://dx.doi.org/10.1007/s100520050187.

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Morikawa, Masahiro. "Evolution of the cosmic density matrix." Physical Review D 40, no. 12 (December 15, 1989): 4023–27. http://dx.doi.org/10.1103/physrevd.40.4023.

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Dissertations / Theses on the topic "Density Evolution (DE)"

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Jain, Bhuvnesh. "The evolution of cosmological density fluctuations." Thesis, Massachusetts Institute of Technology, 1994. http://hdl.handle.net/1721.1/28060.

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Lumsden, Stuart Leonard. "The statistics and evolution of cosmological density fluctuations." Thesis, University of Edinburgh, 1990. http://hdl.handle.net/1842/28460.

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Durham, Laura M. (Laura Marie) 1977. "A density evolution analysis of turbo product codes." Thesis, Massachusetts Institute of Technology, 2002. http://hdl.handle.net/1721.1/87208.

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Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 2002.
Includes bibliographical references (leaves 112-113).
by Laura M. Durham.
S.M.
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Arsenlis, Athanasios 1975. "Modeling dislocation density evolution in continuum crystal plasticity." Thesis, Massachusetts Institute of Technology, 2001. http://hdl.handle.net/1721.1/36679.

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Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2001.
Includes bibliographical references (p. 221-229).
Dislocations are the singly most important material defects in crystal plasticity, and although dislocation mechanics has long been understood as the underlying physical basis for continuum crystal plasticity formulations, explicit consideration of crystallo- graphic dislocation mechanics has been largely absent in working constitutive models. In light of recent theoretical developments in dislocation dynamics, and the introduc- tion of geometrically necessary dislocation (GND) density in continuum formulations through plastic strain gradients, a single crystal plasticity model based on dislocation density state variables is developed. The density state variables evolve from initial conditions according to equations based on fundamental concepts in dislocation me- chanics such as the conservation of Burgers vector in multiplication and annihilation processes. Along with those processes that account for bulk statistical dislocation evolution, the evolving polarity due to dislocation species flux divergences may be in- cluded to detail the length-scale dependence of mechanical properties on the micron level. The full dislocation density description of plasticity allows a simple evaluation of the role of GND density in non-homogeneously deforming bodies. A local version of the constitutive model, which captures the bulk processes of dislocation multiplication and annihilation during plastic deformation, is implemented within a finite element framework to investigate the poly-slip behavior of aluminum single crystals under tension.
(cont.) A non-local version of the constitutive model using an idealized planar double slip system geometry is implemented within a finite element framework to investigate the length-scale dependence observed in the bending of thin single crystal beams. The results not only capture the mechanical stress/strain response of the material, but also detail the development of underlying dislocation structure responsible_ fr: the plistic behavior of the crystal.
by Athanasios Arsenlis.
Ph.D.
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Cross, Nicholas James Geraint. "The bivariate space density of galaxies." Thesis, University of St Andrews, 2002. http://hdl.handle.net/10023/12935.

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The luminosity function of galaxies, the measurement of the space density as a function of luminosity, is an important test of cosmology, galaxy formation and evolution. Unfortunately, there is a factor of two variation in recent measurements of the luminosity function. Most of this variation is due to systematic errors, caused by various selection effects. With two large new surveys, the Two degree Field Galaxy Redshift Survey and the Sloan Digital Sky Survey, underway it is important to recognise and eliminate these selection effects if we are going to improve our measurement of the luminosity function and fully utilise these surveys. By measuring the space density of galaxies as a function of surface brightness as well as luminosity, a bivariate brightness distribution, we can comprehend many of the selection effects such as light loss, incompleteness and the visibility of galaxies. Since galaxies have a variety of shapes and sizes, a distribution in luminosity and surface brightness helps to separate out different types of galaxy. Correlations between the luminosity and surface brightness place extra constraints on models of galaxy formation and evolution. When we analyse our results, we find that recent surveys that have not taken into account surface brightness selection effects underestimate the luminosity of the bright end by 5-10%. Using the bivariate brightness distribution, we can constrain the luminosity density to a range that varies by < 20% rather than by a factor of 2. We find that the luminosity function is flat over the range -19.5 < M < -17 and then rises sharply as late-type spiral galaxies begin to dominate. The space density does not vary with surface brightness with the result that low surface brightness galaxies are at least as common as normal galaxies. However, low surface brightness galaxies are also intrinsically faint, following the luminosity-surface brightness correlation for spirals, so they do not contribute significantly to the luminosity density.
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Percival, Will. "Cosmological structure formation and its link to quasar evolution." Thesis, University of Oxford, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.325786.

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Borch, Andrea. "Evolution of the stellar mass density of galaxies since redshift 1.0." [S.l. : s.n.], 2004. http://deposit.ddb.de/cgi-bin/dokserv?idn=972022481.

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Lane, Jennifer M. (Jennifer Marie) 1977. "A fundamental study of feature evolution during high density plasma etching." Thesis, Massachusetts Institute of Technology, 1999. http://hdl.handle.net/1721.1/80245.

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Thesis (M.Eng. and S.B.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 1999.
Includes bibliographical references (leaves 91-94).
by Jennifer M. Lane.
M.Eng.and S.B.
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Benage, Mary Catherine. "The thermal evolution and dynamics of pyroclasts and pyroclastic density currents." Diss., Georgia Institute of Technology, 2015. http://hdl.handle.net/1853/53962.

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The thermal evolution of pyroclastic density currents (PDCs) is the result of entrainment of ambient air, particle concentration, and initial eruptive temperature, which all impact PDC dynamics and their hazards, such as runout distance. The associated hazards and opaqueness of PDCs make it impossible for in-situ entrainment efficiencies or concentration measurements that would provide critical information on the thermal evolution and physical processes of PDCs. The thermal evolution of explosive eruptive events such as volcanic plumes and pyroclastic density currents (PDCs) is reflected in the textures of the material they deposit. A multiscale model is developed to evaluate how the rinds of breadcrust bombs can be used as a unique thermometer to examine the thermal evolution of PDCs. The multiscale, integrated model examines how bubble growth, pyroclast cooling, and dynamics of PDC and projectile pyroclasts form unique pyroclast morphology. Rind development is examined as a function of transport regime (PDC and projectile), transport properties (initial current temperature and current density), and pyroclast properties (initial water content and radius). The model reveals that: 1) rinds of projectile pyroclasts are in general thicker and less vesicular than those of PDC pyroclasts; 2) as the initial current temperature decreases due to initial air entrainment, the rinds on PDC pyroclasts progressively increase in thickness; and 3) rind thickness increases with decreasing water concentration and decreasing clast radius. Therefore, the modeled pyroclast’s morphology is dependent not only on initial water concentration but also on the cooling rate, which is determined by the transport regime. The developed secondary thermal proxy is then applied to the 2006 PDCs from the Tungurahua eruption to constrain the entrainment efficiency and thermal evolution of PDCs. A three-dimensional multiphase Eulerian-Eulerian-Lagrangian (EEL) model is coupled to topography and field data such as paleomagnetic data and rind thicknesses of collected pyroclasts to study the entrainment efficiency and thus the thermal history of PDCs at Tungurahua volcano, Ecuador. The modeled results that are constrained with observations and thermal proxies demonstrate that 1) efficient entrainment of air to the upper portion of the current allows for rapid cooling, 2) the channelized pyroclastic density currents may have developed a stable bed load region that was inefficient at cooling and 3) the PDCs had temperatures of 600-800K in the bed load region but the upper portion of the currents cooled down to ambient temperatures. The results have shown that PDCs can be heterogeneous in particle concentration, temperature, and dynamics and match observations of PDCs down a volcano and the thermal proxies. Lastly, the entrainment efficiencies of PDCs increases with increasing PDC temperature and entrainment varies spatially and temporally. Therefore, the assumption of a well-mixed current with a single entrainment coefficient cannot fully solve the thermal evolution and dynamics of the PDC.
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Mahorowala, Arpan P. (Arpan Pravin) 1970. "Feature profile evolution during the high density plasma etching of polysilicon." Thesis, Massachusetts Institute of Technology, 1998. http://hdl.handle.net/1721.1/50514.

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Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 1998.
Includes bibliographical references (p. 185-191).
This thesis work deals with one of the critical steps in the manufacturing of modem integrated circuits - the plasma etching of thin polysilicon films used to form the metaloxide- semiconductor transistor gate. The etching of very small features (-0.25 jim) in the -2500 A thick films, performed at low operating pressures (-10 mTorr), must be accompanied with minimal etching artifacts that can degrade device performance. This thesis aims to understand the causes for the etching artifacts observed during the etching of polysilicon line-and-space features in C12 and HBr plasmas so that better etching recipes can be developed. The second goal of this work was to develop a generalized simulator capable of predicting the feature profile evolution for the above plasma etching system as well as systems involving other materials and chemistries. The 2V2-dimensional simulator developed used Monte Carlo techniques to compute the transport and surface kinetics combined with a cellular representation of the feature. Using the Monte Carlo algorithm permitted the incorporation of all dominant physical and chemical mechanisms of the etching process such as angle-dependent ionenhanced etching, physical sputtering, ion scattering, surface recombination, plasma deposition, and line-of-sight re-deposition without encountering numerical difficulties. The technique allowed the calculation of surface kinetics rates based on the surface composition; simultaneous composition-dependent etching and deposition could be handled easily. A modification of the cellular representation of the feature was developed to determine neutral species interactions with the surface correctly. A surface normal calculation algorithm involving least-squares fitting of the surface was developed to handle specular ion scattering. Designed sets of plasma etching experiments were performed on photoresist masked and silicon oxide-masked polysilicon samples using C12 and HBr chemistries varying the inductive power (controls the ion density, radical concentrations), the rf biasing power (controls the ion energy) and the gas flowrate (controls the reactant and product concentrations). The interesting features exhibited in the experimental profiles included: 1) the increased sidewall deposition associated with photoresist-masking and isolated features, 2) the greater curvature of the sidewalls associated with the combination of photoresist and Cl2 plasmas, 3) the more vertical sidewalls achieved with HBr, 4) the double faceting of the feature sidewalls under etching conditions accompanied by significant deposition, 5) the delay in the onset of microtrenching at the feature bottom while etching photoresist-masked samples with C12, 6) the greater microtrenching exhibited with silicon oxide-masking and C12 plasmas, and 7) the lack of microtrenching for the HBr etching. The experimental results suggested strong dependencies of microtrenching, tapered sidewall profiles and photoresist-mask faceting on the feature aspect ratio, product formation rate and product residence time in the etching chamber. The etching artifacts were explained using the profile evolution simulator. The microtrenching was associated with two mechanisms - ion scattering from tapered sidewalls and the focussing of directional ions by bowed sidewalls onto the feature bottom. The former mechanism led to trenching initially while the latter mechanism gained importance midway during the etching. The absence of tapered sidewalls initially and the relatively straight sidewall profiles developed during the etching explained the non-occurrence of microtrenches when using HBr. Under processing conditions accompanied by significant deposition, facets at two distinct angles were predicted. The top facet depended on the composition of the material on the photoresist-mask line and its etching angular dependence. The lower facet angle and the polysilicon sidewall profile were governed by the feature aspect ratio, the sticking probabilities and fluxes of the depositing material, and the depositing material etching angular dependence. The phenomenon of feature charging was incorporated in the Monte Carlo simulator to understand its role in the profile evolution. Two electrical approximations were made for the feature - the perfectly insulating and a novel resistive approximation. With an insulating feature, the potential profiles were obtained by determining the space charge on the feature surface and solving Poisson's equation over the entire simulation domain. Calculation of the potential profiles with the resistive feature representation involved treating the feature as a large resistive network, determining the steady-state currents to the feature surface and solving the conductivity equation and Laplace's equation in the solid and gas, respectively. The role surface and bulk conductivities played on the potential profiles were studied. The potential profile in a completely etched polysilicon (conducting) feature with a silicon oxide (insulating) feature bottom was generated. Higher ion currents were calculated at the lower part of the polysilicon sidewall. These currents can etch the passivating material deposited at lower portion of the sidewall enabling spontaneous etching of the sidewall, and cause notching of the sidewall.
by Arpan P. Mahorowala.
Ph.D.
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Books on the topic "Density Evolution (DE)"

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Losson, Jérôme, Michael C. Mackey, Richard Taylor, and Marta Tyran-Kamińska. Density Evolution Under Delayed Dynamics. New York, NY: Springer US, 2020. http://dx.doi.org/10.1007/978-1-0716-1072-5.

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Thermal convection: Patterns, evolution and stability. Chichester, UK: Wiley, 2010.

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A, Heelis Rodney, and United States. National Aeronautics and Space Administration., eds. Equatorial density irregularity structures at intermediate scales and their temporal evolution. [Washington, DC]: American Geophysical Union, 1998.

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Lappa, Marcello. Thermal convection: Patterns, evolution, and stability (historical background and current status). Hoboken, N.J: Wiley, 2009.

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Lappa, Marcello. Thermal convection: Patterns, evolution, and stability (historical background and current status). Hoboken, N.J: Wiley, 2009.

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Witting, Lars. A general theory of evolution: By means of selection by density dependent competitive interactions. Århus: Peregrine, 1997.

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Gordon, Emslie A., Hartmann D. H, and United States. National Aeronautics and Space Administration., eds. The effects of pure density evolution on the brightness distribution of cosmological gamma-ray bursts. [Washington, D.C: National Aeronautics and Space Administration, 1995.

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Gordon, Emslie A., Hartmann D. H, and United States. National Aeronautics and Space Administration., eds. The effects of pure density evolution on the brightness distribution of cosmological gamma-ray bursts. [Washington, D.C: National Aeronautics and Space Administration, 1995.

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Gordon, Emslie A., Hartmann D. H, and United States. National Aeronautics and Space Administration., eds. The effects of pure density evolution on the brightness distribution of cosmological gamma-ray bursts. [Washington, D.C: National Aeronautics and Space Administration, 1995.

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F, Shandarin Sergei, Weinberg David Hal, and United States. National Aeronautics and Space Administration., eds. A test of the adhesion approximation for gravitational clustering. [Washington, D.C: National Aeronautics and Space Administration, 1995.

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Book chapters on the topic "Density Evolution (DE)"

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Graves, Joseph L., and Laurence D. Mueller. "Population density effects on longevity." In Genetics and Evolution of Aging, 119–29. Dordrecht: Springer Netherlands, 1994. http://dx.doi.org/10.1007/978-94-017-1671-0_11.

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Łokas, Ewa L., and Gary A. Mamon. "Properties of Galaxies with Universal Density Profile." In The Evolution of Galaxies, 477. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-017-3313-7_121.

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Thommes, E., and K. Meisenheimer. "Number Density Predictions for Primeval Galaxies." In New Light on Galaxy Evolution, 454. Dordrecht: Springer Netherlands, 1996. http://dx.doi.org/10.1007/978-94-009-0229-9_165.

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Bellomo, N., Z. Brzezniak, and L. M. de Socio. "Time Evolution of the Probability Density." In Nonlinear Stochastic Evolution Problems in Applied Sciences, 135–65. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-1820-0_5.

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Kawatsu, Kazutaka. "Ecology and Evolution of Density-Dependence." In Diversity of Functional Traits and Interactions, 161–74. Singapore: Springer Singapore, 2020. http://dx.doi.org/10.1007/978-981-15-7953-0_7.

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Gunn, James E. "Galaxy Evolution in High Density Environments." In The Epoch of Galaxy Formation, 167–78. Dordrecht: Springer Netherlands, 1989. http://dx.doi.org/10.1007/978-94-009-0919-9_19.

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Franco, José, Stan E. Kurtz, José A. García-Barreto, Guillermo García-Segura, Eduardo de la Fuente, Peter Hofner, and Alejandro Esquivel. "Pressure and Density Gradients in H ii Regions." In The Evolution of Galaxies, 71–74. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-017-3313-7_10.

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Iglesias-Páramo, J., and C. Muñoz-Tuñón. "A Spectral Diagnostic for Density-Bounded HII Regions." In The Evolution of Galaxies, 99. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-017-3313-7_18.

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Palouš, Jan, Soňa Ehlerová, and Richard Wünsch. "Expanding Shells in Low and High Density Environments." In The Evolution of Galaxies, 579–82. Dordrecht: Springer Netherlands, 2003. http://dx.doi.org/10.1007/978-94-017-3315-1_115.

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Pérez, Enrique, Rosa González Delgado, and José M. Vílchez. "Density Structure of the Giant Hii Region NGC 2363." In The Evolution of Galaxies, 83–86. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-017-3313-7_13.

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Conference papers on the topic "Density Evolution (DE)"

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Walsh, John MacLaren. "Density Evolution for Expectation Propagation." In 2007 IEEE International Conference on Acoustics, Speech, and Signal Processing. IEEE, 2007. http://dx.doi.org/10.1109/icassp.2007.366293.

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Kahraman, Sinan. "Strange Attractor in Density Evolution." In 2018 IEEE 10th International Symposium on Turbo Codes & Iterative Information Processing (ISTC). IEEE, 2018. http://dx.doi.org/10.1109/istc.2018.8625365.

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Lee, Hwa-Teng, Yin-Fa Chen, Ting-Fu Hong, Ku-Ta Shih, and Che-wei Hsu. "Microstructural evolution of Sn-3.5Ag solder with lanthanum addition." In High Density Packaging (ICEPT-HDP). IEEE, 2009. http://dx.doi.org/10.1109/icept.2009.5270676.

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Lee, Hwa-Teng, Yin-Fa Chen, Ting-Fu Hong, and Ku-Ta Shih. "Evolution of Ag3Sn compounds in solidification of eutectic Sn-3.5Ag solder." In High Density Packaging (ICEPT-HDP). IEEE, 2009. http://dx.doi.org/10.1109/icept.2009.5270669.

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Zochmann, Erich, Peter Gerstoft, and Christoph F. Mecklenbrauker. "Density evolution of sparse source signals." In 2015 3rd International Workshop on Compressed Sensing Theory and its Applications to Radar, Sonar and Remote Sensing (CoSeRa). IEEE, 2015. http://dx.doi.org/10.1109/cosera.2015.7330277.

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Qiang Chen and Guoyuan Li. "Effects of dopants on wettability and microstructure evolution of Lead-Free solder joints." In High Density Packaging (ICEPT-HDP). IEEE, 2010. http://dx.doi.org/10.1109/icept.2010.5582338.

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Bi, Jinglin, Anmin Hu, Ming Li, and Dali Mao. "The evolution of interfacial microstructure of Sn3.5Ag solder bump with Cu under-bump metallization." In High Density Packaging (ICEPT-HDP). IEEE, 2011. http://dx.doi.org/10.1109/icept.2011.6066855.

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Zaharie, D. "Density based clustering with crowding differential evolution." In Seventh International Symposium on Symbolic and Numeric Algorithms for Scientific Computing (SYNASC'05). IEEE, 2005. http://dx.doi.org/10.1109/synasc.2005.31.

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Goshtasbpour, Mehrdad. "A new approach to parton-density evolution." In The fourteenth international spin physics symposium, SPIN2000. AIP, 2001. http://dx.doi.org/10.1063/1.1384186.

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Refaey, Ahmed, Khaled Loukhaoukha, and Adel Dahmane. "Cryptanalysis of stream cipher using density evolution." In 2017 IEEE Conference on Communications and Network Security (CNS). IEEE, 2017. http://dx.doi.org/10.1109/cns.2017.8228669.

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Reports on the topic "Density Evolution (DE)"

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Zanino, R. Evolution of poloidal variation of impurity density and ambipolar potential in rotating tokamak plasma: Part 2. Office of Scientific and Technical Information (OSTI), March 1988. http://dx.doi.org/10.2172/5045968.

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Sigmar, D. J., R. Zanino, and C. T. Hsu. Evolution of poloidal variation of impurity density and ambipolar potential in rotating tokamak plasma: Part 1. Office of Scientific and Technical Information (OSTI), September 1987. http://dx.doi.org/10.2172/5454652.

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Taheri, Mitra L. Linking the Codependence of Grain Boundary Structure and Density to Defect Evolution Mechanisms during Radiation Damage. Office of Scientific and Technical Information (OSTI), August 2019. http://dx.doi.org/10.2172/1547399.

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Mitchell, James, Aubrey Poon, and Dan Zhu. Constructing density forecasts from quantile regressions: multimodality in macro-financial dynamics. Federal Reserve Bank of Cleveland, April 2023. http://dx.doi.org/10.26509/frbc-wp-202212r.

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Quantile regression methods are increasingly used to forecast tail risks and uncertainties in macroeconomic outcomes. This paper reconsiders how to construct predictive densities from quantile regressions. We compare a popular two-step approach that fits a specific parametric density to the quantile forecasts with a nonparametric alternative that lets the "data speak." Simulation evidence and an application revisiting GDP growth uncertainties in the US demonstrate the flexibility of the nonparametric approach when constructing density forecasts from both frequentist and Bayesian quantile regressions. They identify its ability to unmask deviations from symmetrical and unimodal densities. The dominant macroeconomic narrative becomes one of the evolution, over the business cycle, of multimodalities rather than asymmetries in the predictive distribution of GDP growth when conditioned on financial conditions.
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Hill, C. Summary Report of the 7th Biennial Technical Meeting of the Code Centres Network of the International Atomic and Molecular Code Centres Network: Database Services for Radiation Damage in Nuclear Materials. IAEA Nuclear Data Section, October 2021. http://dx.doi.org/10.61092/iaea.25ex-cn8n.

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The International Code Centres Network (CCN) is a group of experts developing codes and models for atomic, molecular and plasma-surface interaction data relevant to fusion applications. Variable subsets of the group are brought together by the IAEA Atomic and Molecular Data (AMD) Unit in order to discuss computational and scientific issues associated with code developments. At the 7th Technical Meeting described in this report, which was held virtually from 18 – 20 October 2021, 18 experts in the field of Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations of radiation damage reviewed the status of and proposed developments to the DefectDB and CascadesDB databases. These services, which are hosted by the AMD Unit, provide a central repository for the results of computational simulations of the evolution of a material’s structure following an impact by a high energy particle.
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6

Hill, Christian. International Atomic and Molecular Code Centres Network: Database Services for Radiation Damage in Nuclear Materials. IAEA Nuclear Data Section, January 2020. http://dx.doi.org/10.61092/iaea.agtk-r4gy.

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Abstract:
The International Code Centres Network (CCN) is a group of experts developing codes and models for atomic, molecular and plasma-surface interaction data relevant to fusion applications. Variable subsets of the group are brought together by the IAEA Atomic and Molecular Data (AMD) Unit in order to discuss computational and scientific issues associated with code developments. At the 6th Technical Meeting described in this report, 11 experts in the field of Molecular Dynamics (MD) simulations of radiation damage reviewed CascadesDB, a database of atomic configurations generated by MD simulations of collision cascades. This database is developed and hosted by the AMD Unit and provides a central repository for the results of MD simulations of the evolution of a material’s structure following an impact by a high energy particle. Further plans to extend and enhance CascadesDB, and to establish a new database resource, DefectDB, containing density functional theory calculations of defect structures were also discussed.
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7

Lui, Rui, Cheng Zhu, John Schmalzel, Daniel Offenbacker, Yusuf Mehta, Benjamin Barrowes, Danney Glaser, and Wade Lein. Experimental and numerical analyses of soil electrical resistivity under subfreezing conditions. Engineer Research and Development Center (U.S.), April 2024. http://dx.doi.org/10.21079/11681/48430.

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The engineering behavior of frozen soils is critical to the serviceability of civil infrastructure in cold regions. Among various geophysical techniques, electrical resistivity imaging is a promising technique that is cost effective and provides spatially continuous subsurface information. In this study, under freeze–thaw conditions, we carry out lab–scale 1D electrical resistivity measurements on frost–susceptible soils with varying water content and bulk density properties. We use a portable electrical resistivity meter for temporal electrical resistivity measurements and thermocouples for temperature monitoring. Dynamic temperature-dependent soil properties, most notably unfrozen water content, exert significant influences on the observed electrical resistivity. Below 0 °C, soil resistivity increases with the decreasing temperature. We also observe a hysteresis effect on the evolution of electrical resistivity during the freeze–thaw cycle, which effect we characterize with a sigmoidal model. At the same temperature, electrical resistivity during freezing is consistently lower than that during thawing. We have implemented this sigmoidal model into a COMSOL finite element model at both laboratory and field scales which enables the simulation of soil electrical resistivity response under both short–term and long–term sub–freezing conditions. Atmospheric temperature variations induce soil temperature change, and thereby phase transition and electrical resistivity change, with the rate of change being a function of the depth of investigation and soil properties include initial water content and initial temperature. This study advances the fundamental understanding of the electrical behaviors of frozen soils and enhance the application of electrical geophysical investigations in cold regions.
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8

Nelson, Nathan, and Charles F. Yocum. Structure, Function and Utilization of Plant Photosynthetic Reaction Centers. United States Department of Agriculture, September 2012. http://dx.doi.org/10.32747/2012.7699846.bard.

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Light capturing and energy conversion by PSI is one of the most fundamental processes in nature. In the heart of these adaptations stand PSI, PSII and their light harvesting antenna complexes. The main goal of this grant proposal was to obtain by X-ray crystallography information on the structure of plant photosystem I (PSI) and photosystem II (PSII) supercomplexes. We achieved several milestones along this line but as yet, like several strong laboratories around the world, we have no crystal structure of plant PSII. We have redesigned the purification and crystallization procedures and recently solved the crystal structure of the PSI supercomplex at 3.3 Å resolution. Even though this advance in resolution appears to be relatively small, we obtained a significantly improved model of the supercomplex. The work was published in J. Biol. Chem. (Amunts et al., 2010). The improved electron density map yielded identification and tracing of the PsaK subunit. The location of an additional 10 ß-carotenes, as well as 5 chlorophylls and several loop regions that were previously uninterruptable have been modeled. This represents the most complete plant PSI structure obtained thus far, revealing the locations of and interactions among 17 protein subunits and 193 non-covalently bound photochemical cofactors. We have continued extensive experimental efforts to improve the structure of plant PSI and to obtain PSII preparation amenable to crystallization. Most of our efforts were devoted to obtain well-defined subcomplexes of plant PSII preparations that are amenable to crystallization. We studied the apparent paradox of the high sensitivity of oxygen evolution of isolated thylakoids while BBY particles exhibit remarkable resilience to the same treatment. The integrity of the photosystem II (PSII) extrinsic protein complement as well as calcium effects arise from the Ca2+ atom associated with the site of photosynthetic water oxidation were investigated. This work provides deeper insights into the interaction of PsbO with PSII. Sight-directed mutagenesis indicated the location of critical sites involved in the stability of the water oxidation reaction. When combined with previous results, the data lead to a more detailed model for PsbO binding in eukaryotic PSII.
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