WorldWideScience

Sample records for macrotransport-solidification kinetics modeling

  1. Equations of macrotransport in reactor fuel assemblies

    International Nuclear Information System (INIS)

    Sorokin, A.P.; Zhukov, A.V.; Kornienko, Yu.N.; Ushakov, P.A.

    1986-01-01

    The rigorous statement of equations of macrotransport is obtained. These equations are bases for channel-by-channel methods of thermohydraulic calculations of reactor fuel assemblies within the scope of the model of discontinuous multiphase coolant flow (including chemical reactions); they also describe a wide range of problems on thermo-physical reactor fuel assembly justification. It has been carried out by smoothing equations of mass, momentum and enthalpy transfer in cross section of each phase of the elementary fuel assembly subchannel. The equation for cross section flows is obtaind by smoothing the equation of momentum transfer on the interphase. Interaction of phases on the channel boundary is described using the Stanton number. The conclusion is performed using the generalized equation of substance transfer. The statement of channel-by-channel method without the scope of homogeneous flow model is given

  2. Integral solution of equiaxed solidification with an interface kinetics model for nuclear waste management

    International Nuclear Information System (INIS)

    Naterer, G.F.

    1996-01-01

    In this paper, a one-dimensional analysis of energy and species transport during binary dendritic solidification is presented and compared to experimental results. The paper's objective is a continuation of previous studies of solidification control for the waste management of nuclear materials in the underground disposal concept. In the present analysis, interface kinetics at the solid - liquid interface accounts for recalescent thermal behaviour during solidification. The theoretical results were compared to available experimental results and the agreement appears fair although some discrepancies have been attributed to uncertainties with thermophysical properties. (author)

  3. A phase-field model for non-equilibrium solidification of intermetallics

    International Nuclear Information System (INIS)

    Assadi, H.

    2007-01-01

    Intermetallics may exhibit unique solidification behaviour-including slow growth kinetics, anomalous partitioning and formation of unusual growth morphologies-because of departure from local equilibrium. A phase-field model is developed and used to illustrate these non-equilibrium effects in solidification of a prototype B2 intermetallic phase. The model takes sublattice compositions as primary field variables, from which chemical long-range order is derived. The diffusive reactions between the two sublattices, and those between each sublattice and the liquid phase are taken as 'internal' kinetic processes, which take place within control volumes of the system. The model can thus capture solute and disorder trapping effects, which are consistent-over a wide range of the solid/liquid interface thickness-with the predictions of the sharp-interface theory of solute and disorder trapping. The present model can also take account of solid-state ordering and thus illustrate the effects of chemical ordering on microstructure formation and crystal growth kinetics

  4. Effect and kinetic mechanism of ultrasonic vibration on solidification of 7050 aluminum alloy

    Directory of Open Access Journals (Sweden)

    Ripeng Jiang

    2014-07-01

    Full Text Available The work described in this paper dealt with the effect of ultrasonic vibration on the solidification of 7050 aluminum alloy. Two experiments were carried out through introducing ultrasound into the semi-continuous direct-chill (DC casting of aluminum alloy and into alloy solidifying in a crucible, respectively. Results show that ultrasonic vibration can refine grains in the whole cross-section of a billet in the first experiment and is able to increase the cooling rate within the temperature range from 625 °C to 590 °C in the other one. The mechanism of particle resonance caused by ultrasonic vibration was illustrated on the basis of theoretical analysis of the kinetics and energy conversion during the solidification. It is demonstrated that the kinetic energy of resonant particles are mainly from the latent heat energy of solidification, which can shorten the cooling time, inhibit the crystal growth and then lead to the grain refinement.

  5. Study and modeling of heat transfer during the solidification of semi-crystalline polymers

    Energy Technology Data Exchange (ETDEWEB)

    Le Goff, R.; Poutot, G.; Delaunay, D. [Laboratoire de Thermocinetique de l' ecole polytechnique de l' universite de Nantes, UMR CNRS 6607, rue Christian Pauc, BP 50609 44306 Nantes cedex 3 (France); Fulchiron, R.; Koscher, E. [Laboratoire des Materiaux Polymeres et des Biomateriaux, IMP/UMR CNRS 5627, Universite Claude Bernard, Lyon 1, 69622 Villeurbanne Cedex (France)

    2005-12-01

    Semi-crystalline polymers are materials whose behavior during their cooling is difficult to model because of the strong coupling between the crystallization, heat transfer, pressure and shear. Thanks to two original apparatus we study solidification of such a polymer without shear. Firstly the comparison between experimental results and a numerical model will permit to validate crystallization kinetic for cooling rate reachable by DSC. The second experiment makes it possible to analyze solidification for high cooling rate, corresponding to some manufacturing processes. It appears that crystallization has an influence on the thermal contact resistance. (author)

  6. Modeling diffusion-governed solidification of ternary alloys - Part 2: Macroscopic transport phenomena and macrosegregation.

    Science.gov (United States)

    Wu, M; Li, J; Ludwig, A; Kharicha, A

    2014-09-01

    Part 1 of this two-part investigation presented a multiphase solidification model incorporating the finite diffusion kinetics and ternary phase diagram with the macroscopic transport phenomena (Wu et al., 2013). In Part 2, the importance of proper treatment of the finite diffusion kinetics in the calculation of macrosegregation is addressed. Calculations for a two-dimensional (2D) square casting (50 × 50 mm 2 ) of Fe-0.45 wt.%C-1.06 wt.%Mn considering thermo-solutal convection and crystal sedimentation are performed. The modeling result indicates that the infinite liquid mixing kinetics as assumed by classical models (e.g., the Gulliver-Scheil or lever rule), which cannot properly consider the solute enrichment of the interdendritic or inter-granular melt at the early stage of solidification, might lead to an erroneous estimation of the macrosegregation. To confirm this statement, further theoretical and experimental evaluations are desired. The pattern and intensity of the flow and crystal sedimentation are dependent on the crystal morphologies (columnar or equiaxed); hence, the potential error of the calculated macrosegregation caused by the assumed growth kinetics depends on the crystal morphology. Finally, an illustrative simulation of an engineering 2.45-ton steel ingot is performed, and the results are compared with experimental results. This example demonstrates the model applicability for engineering castings regarding both the calculation efficiency and functionality.

  7. Modeling of columnar and equiaxed solidification of binary mixtures

    International Nuclear Information System (INIS)

    Roux, P.

    2005-12-01

    This work deals with the modelling of dendritic solidification in binary mixtures. Large scale phenomena are represented by volume averaging of the local conservation equations. This method allows to rigorously derive the partial differential equations of averaged fields and the closure problems associated to the deviations. Such problems can be resolved numerically on periodic cells, representative of dendritic structures, in order to give a precise evaluation of macroscopic transfer coefficients (Drag coefficients, exchange coefficients, diffusion-dispersion tensors...). The method had already been applied for a model of columnar dendritic mushy zone and it is extended to the case of equiaxed dendritic solidification, where solid grains can move. The two-phase flow is modelled with an Eulerian-Eulerian approach and the novelty is to account for the dispersion of solid velocity through the kinetic agitation of the particles. A coupling of the two models is proposed thanks to an original adaptation of the columnar model, allowing for undercooling calculation: a solid-liquid interfacial area density is introduced and calculated. At last, direct numerical simulations of crystal growth are proposed with a diffuse interface method for a representation of local phenomena. (author)

  8. Advanced modeling of solidification

    International Nuclear Information System (INIS)

    Bousquet-Melou, P.; Fichot, F.; Goyeau, B.; Gobin, D.; Quintard, M.

    2001-01-01

    A theoretical and numerical macroscopic modeling of the solidification of binary mixtures is presented. The growth of a solid-liquid region (mushy zone), represented by a non-homogeneous porous medium, is considered. A macroscopic model for momentum, heat and mass transfer during solidification is derived using the volume averaging method, and the effective transport properties (permeability, effective diffusivities, mass exchange coefficients) are defined by associated closure problems (set of microscopic balance equations). Consequently, the effects of the dendritic geometry (tortuosity) and of microscopic transfer phenomena (dispersion, interfacial exchange) are introduced in the averaged balance equations and in the representation of the effective transport coefficients. This closure method provides an original approach of solidification modeling. The resulting macroscopic model is based on the local thermal equilibrium assumption (one-temperature model) while a two-phase description of macroscopic species transfer is introduced using solid and liquid mass exchange coefficients. The phase diagram is used to predict the solid and liquid equilibrium concentrations at the solid-liquid interface. This two-phase approach extends the classical limiting cases that correspond to the lever-rule and Scheil descriptions. (authors)

  9. Modeling of columnar and equiaxed solidification of binary mixtures; Modelisation de la solidification colonnaire et equiaxe de melanges binaires

    Energy Technology Data Exchange (ETDEWEB)

    Roux, P

    2005-12-15

    This work deals with the modelling of dendritic solidification in binary mixtures. Large scale phenomena are represented by volume averaging of the local conservation equations. This method allows to rigorously derive the partial differential equations of averaged fields and the closure problems associated to the deviations. Such problems can be resolved numerically on periodic cells, representative of dendritic structures, in order to give a precise evaluation of macroscopic transfer coefficients (Drag coefficients, exchange coefficients, diffusion-dispersion tensors...). The method had already been applied for a model of columnar dendritic mushy zone and it is extended to the case of equiaxed dendritic solidification, where solid grains can move. The two-phase flow is modelled with an Eulerian-Eulerian approach and the novelty is to account for the dispersion of solid velocity through the kinetic agitation of the particles. A coupling of the two models is proposed thanks to an original adaptation of the columnar model, allowing for undercooling calculation: a solid-liquid interfacial area density is introduced and calculated. At last, direct numerical simulations of crystal growth are proposed with a diffuse interface method for a representation of local phenomena. (author)

  10. Phase-field modeling of coring during solidification of Au–Ni alloy using quaternions and CALPHAD input

    International Nuclear Information System (INIS)

    Fattebert, J.-L.; Wickett, M.E.; Turchi, P.E.A.

    2014-01-01

    A numerical method for the simulation of microstructure evolution during the solidification of an alloy is presented. The approach is based on a phase-field model including a phase variable, an orientation variable given by a quaternion, the alloy composition and a uniform temperature field. Energies and diffusion coefficients used in the model rely on thermodynamic and kinetic databases in the framework of the CALPHAD methodology. The numerical approach is based on a finite volume discretization and an implicit time-stepping algorithm. Numerical results for solidification and accompanying coring effect in a Au–Ni alloy are used to illustrate the methodology

  11. Kinetics modeling of delta-ferrite formation and retainment during casting of supermartensitic stainless steel

    DEFF Research Database (Denmark)

    Nießen, Frank; Tiedje, Niels Skat; Hald, John

    2017-01-01

    The kinetics model for multi-component diffusion DICTRA was applied to analyze the formation and retainment of δ-ferrite during solidification and cooling of GX4-CrNiMo-16-5-1 cast supermartensitic stainless steel. The obtained results were compared with results from the Schaeffler diagram......, equilibrium calculations and the Scheil model in Thermo-Calc, and validated by using microscopy and energy dispersive X-ray spectroscopy for chemical analysis on a cast ingot. The kinetics model showed that micro-segregation from solidification homogenizes within 2–3 s (70 °C) of cooling, and that retained δ...

  12. Solidification microstructures and solid-state parallels: Recent developments, future directions

    Energy Technology Data Exchange (ETDEWEB)

    Asta, M. [Department of Chemical Engineering and Materials Science, University of California at Davis, Davis, CA 95616 (United States); Beckermann, C. [Department of Mechanical and Industrial Engineering, University of Iowa, Iowa City, IA 52242 (United States); Karma, A. [Department of Physics and Center for Interdisciplinary Research on Complex Systems, Northeastern University, Boston, MA 02115 (United States); Kurz, W. [Institute of Materials, Ecole Polytechnique Federale de Lausanne (EPFL), 1015 Lausanne (Switzerland)], E-mail: wilfried.kurz@epfl.ch; Napolitano, R. [Department of Materials Science and Engineering, Iowa State University, and Ames Laboratory USDOE, Ames, IA 50011 (United States); Plapp, M. [Physique de la Matiere Condensee, Ecole Polytechnique, CNRS, 91128 Palaiseau (France); Purdy, G. [Department of Materials Science and Engineering, McMaster University, Hamilton, Ont., L8S 4L7 (Canada); Rappaz, M. [Institute of Materials, Ecole Polytechnique Federale de Lausanne (EPFL), 1015 Lausanne (Switzerland); Trivedi, R. [Department of Materials Science and Engineering, Iowa State University, and Ames Laboratory USDOE, Ames, IA 50011 (United States)

    2009-02-15

    Rapid advances in atomistic and phase-field modeling techniques as well as new experiments have led to major progress in solidification science during the first years of this century. Here we review the most important findings in this technologically important area that impact our quantitative understanding of: (i) key anisotropic properties of the solid-liquid interface that govern solidification pattern evolution, including the solid-liquid interface free energy and the kinetic coefficient; (ii) dendritic solidification at small and large growth rates, with particular emphasis on orientation selection; (iii) regular and irregular eutectic and peritectic microstructures; (iv) effects of convection on microstructure formation; (v) solidification at a high volume fraction of solid and the related formation of pores and hot cracks; and (vi) solid-state transformations as far as they relate to solidification models and techniques. In light of this progress, critical issues that point to directions for future research in both solidification and solid-state transformations are identified.

  13. Effect of Temperature and Sheet Temper on Isothermal Solidification Kinetics in Clad Aluminum Brazing Sheet

    Science.gov (United States)

    Benoit, Michael J.; Whitney, Mark A.; Wells, Mary A.; Winkler, Sooky

    2016-09-01

    Isothermal solidification (IS) is a phenomenon observed in clad aluminum brazing sheets, wherein the amount of liquid clad metal is reduced by penetration of the liquid clad into the core. The objective of the current investigation is to quantify the rate of IS through the use of a previously derived parameter, the Interface Rate Constant (IRC). The effect of peak temperature and initial sheet temper on IS kinetics were investigated. The results demonstrated that IS is due to the diffusion of silicon (Si) from the liquid clad layer into the solid core. Reduced amounts of liquid clad at long liquid duration times, a roughened sheet surface, and differences in resolidified clad layer morphology between sheet tempers were observed. Increased IS kinetics were predicted at higher temperatures by an IRC model as well as by experimentally determined IRC values; however, the magnitudes of these values are not in good agreement due to deficiencies in the model when applied to alloys. IS kinetics were found to be higher for sheets in the fully annealed condition when compared with work-hardened sheets, due to the influence of core grain boundaries providing high diffusivity pathways for Si diffusion, resulting in more rapid liquid clad penetration.

  14. Rapid solidification growth mode transitions in Al-Si alloys by dynamic transmission electron microscopy

    International Nuclear Information System (INIS)

    Roehling, John D.; Coughlin, Daniel R.; Gibbs, John W.; Baldwin, J. Kevin; Mertens, James C.E.; Campbell, Geoffrey H.; Clarke, Amy J.; McKeown, Joseph T.

    2017-01-01

    In situ dynamic transmission electron microscope (DTEM) imaging of Al-Si thin-film alloys was performed to investigate rapid solidification behavior. Solidification of alloys with compositions from 1 to 15 atomic percent Si was imaged during pulsed laser melting and subsequent solidification. Solely α-Al solidification was observed in Al-1Si and Al-3Si alloys, and solely kinetically modified eutectic growth was observed in Al-6Si and Al-9Si alloys. A transition in the solidification mode in eutectic and hypereutectic alloys (Al-12Si and Al-15Si) from nucleated α-Al dendrites at lower solidification velocities to planar eutectic growth at higher solidification velocities was observed, departing from trends previously seen in laser-track melting experiments. Comparisons of the growth modes and corresponding velocities are compared with previous solidification models, and implications regarding the models are discussed.

  15. Dendritic solidification in undercooled Ni-Zr-Al melts: Experiments and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Galenko, P.K., E-mail: Peter.Galenko@dlr.de [Institut fuer Materialsphysik im Weltraum, Deutsches Zentrum fuer Luft- und Raumfahrt (DLR), D-51170 Koeln (Germany); Reutzel, S.; Herlach, D.M. [Institut fuer Materialsphysik im Weltraum, Deutsches Zentrum fuer Luft- und Raumfahrt (DLR), D-51170 Koeln (Germany); Fries, S.G. [ICAMS, Ruhr-Universitaet Bochum, Stiepeler Strasse 129, D-44780 Bochum (Germany)] [SGF Scientific Consultancy, Arndtstr 9, D-52064 Aachen (Germany); Steinbach, I. [ICAMS, Ruhr-Universitaet Bochum, Stiepeler Strasse 129, D-44780 Bochum (Germany); Apel, M. [ACCESS eV, Intzestrasse 5, D-52072 Aachen (Germany)

    2009-12-15

    The kinetics of dendritic solidification in a ternary Ni{sub 98}Zr{sub 1}Al{sub 1} alloy is investigated experimentally in a range of melt undercoolings 40K{<=}{Delta}T{<=}320K. The growth velocity is measured for samples processed by the electromagnetic levitation technique using a high-speed video camera. With {Delta}T{<=}220K the measured growth rates are the same as those of a binary Ni{sub 99}Zr{sub 1} alloy. In the regime of rapid solidification, especially within the regime of thermal dendritic growth at {Delta}T{>=}220K, growth rates are decreased. Sharp-interface modeling predicts growth rates over the whole range of undercooling. Phase-field simulations give quantitative predictions for the dendritic growth velocity in the solute-controlled growth regime. Results show that the composition and temperature dependency of the thermodynamic data, e.g. liquidus slope and solute partition coefficient, are important for describing the alloys. Our findings give improved sharp-interface model predictions compared to calculations based on an approximation of the thermodynamic data derived from binary phase diagrams.

  16. Incorporating interfacial phenomena in solidification models

    Science.gov (United States)

    Beckermann, Christoph; Wang, Chao Yang

    1994-01-01

    A general methodology is available for the incorporation of microscopic interfacial phenomena in macroscopic solidification models that include diffusion and convection. The method is derived from a formal averaging procedure and a multiphase approach, and relies on the presence of interfacial integrals in the macroscopic transport equations. In a wider engineering context, these techniques are not new, but their application in the analysis and modeling of solidification processes has largely been overlooked. This article describes the techniques and demonstrates their utility in two examples in which microscopic interfacial phenomena are of great importance.

  17. Characteristics of Cement Solidification of Metal Hydroxide Waste

    Directory of Open Access Journals (Sweden)

    Dae-Seo Koo

    2017-02-01

    Full Text Available To perform the permanent disposal of metal hydroxide waste from electro-kinetic decontamination, it is necessary to secure the technology for its solidification. The integrity tests on the fabricated solidification should also meet the criteria of the Korea Radioactive Waste Agency. We carried out the solidification of metal hydroxide waste using cement solidification. The integrity tests such as the compressive strength, immersion, leach, and irradiation tests on the fabricated cement solidifications were performed. It was also confirmed that these requirements of the criteria of Korea Radioactive Waste Agency on these cement solidifications were met. The microstructures of all the cement solidifications were analyzed and discussed.

  18. Characteristics of cement solidification of metal hydroxide waste

    Energy Technology Data Exchange (ETDEWEB)

    Koo, Dae Seo; Sung, Hyun Hee; Kim, Seung Soo; Kim, Gye Nam; Choi, Jong Won [Dept. of Decontemination Decommission Technology Development, Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2017-02-15

    To perform the permanent disposal of metal hydroxide waste from electro-kinetic decontamination, it is necessary to secure the technology for its solidification. The integrity tests on the fabricated solidification should also meet the criteria of the Korea Radioactive Waste Agency. We carried out the solidification of metal hydroxide waste using cement solidification. The integrity tests such as the compressive strength, immersion, leach, and irradiation tests on the fabricated cement solidifications were performed. It was also confirmed that these requirements of the criteria of Korea Radioactive Waste Agency on these cement solidifications were met. The microstructures of all the cement solidifications were analyzed and discussed.

  19. Application of the thermodynamic extremal principle to phase-field modeling of non-equilibrium solidification in multi-component alloys

    International Nuclear Information System (INIS)

    Zhang, Xiao; Wang, Haifeng; Kuang, Wangwang; Zhang, Jianbao

    2017-01-01

    Modeling of non-equilibrium solidification in multi-component alloys is of singular importance in microstructure control, which however owing to the complex systems with complex additional constraints is still an open problem. In this work, the thermodynamic extremal principle was applied to solve the complex additional constraints self-consistently in thermodynamics. Consequently, short-range solute redistribution and long-range solute diffusion that share the same mobility are integrated naturally into the solute diffusion equations, thus avoiding the introduction of additional kinetic coefficients (e.g. interface permeability) to describe solute redistribution. Application to the non-equilibrium solidification of Al-Si-Cu alloys shows that anomalous solute trapping and anomalous solute profiles within the diffuse interface could occur, thus highlighting the important effect of the interaction among the component elements on the interface kinetics. The current phase-field model might be preferred for simulations not only because of its simplest form of evolution equations but also its feasibility to increase the simulation efficiency by the “thin interface limit” analysis.

  20. Macrotransport processes: Brownian tracers as stochastic averagers in effective medium theories of heterogeneous media

    International Nuclear Information System (INIS)

    Brenner, H.

    1991-01-01

    Macrotransport processes (generalized Taylor dispersion phenomena) constitute coarse-grained descriptions of comparable convective diffusive-reactive microtransport processes, the latter supposed governed by microscale linear constitutive equations and boundary conditions, but characterized by spatially nonuniform phenomenological coefficients. Following a brief review of existing applications of the theory, the author focuses - by way of background information-upon the original (and now classical) Taylor - Aris dispersion problem, involving the combined convective and molecular diffusive transport of a point-size Brownian solute molecule (tracer) suspended in a Poiseuille solvent flow within a circular tube. A series of elementary generalizations of this prototype problem to chromatographic-like solute transport processes in tubes is used to illustrate some novel statistical-physical features. These examples emphasize the fact that a solute molecule may, on average, move axially down the tube at a different mean velocity (either larger or smaller) than that of a solvent molecule. Moreover, this solute molecule may suffer axial dispersion about its mean velocity at a rate greatly exceeding that attributable to its axial molecular diffusion alone. Such chromatographic anomalies represent novel macroscale non-linearities originating from physicochemical interactions between spatially inhomogeneous convective-diffusive-reactive microtransport processes

  1. Finite-element solidification modelling of metals and binary alloys

    International Nuclear Information System (INIS)

    Mathew, P.M.

    1986-12-01

    In the Canadian Nuclear Fuel Waste Management Program, cast metals and alloys are being evaluated for their ability to support a metallic fuel waste container shell under disposal vault conditions and to determine their performance as an additional barrier to radionuclide release. These materials would be cast to fill residual free space inside the container and allowed to solidify without major voids. To model their solidification characteristics following casting, a finite-element model, FAXMOD-3, was adopted. Input parameters were modified to account for the latent heat of fusion of the metals and alloys considered. This report describes the development of the solidification model and its theoretical verification. To model the solidification of pure metals and alloys that melt at a distinct temperature, the latent heat of fusion was incorporated as a double-ramp function in the specific heat-temperature relationship, within an interval of +- 1 K around the solidification temperature. Comparison of calculated results for lead, tin and lead-tin eutectic melts, unidirectionally cooled with and without superheat, showed good agreement with an alternative technique called the integral profile method. To model the solidification of alloys that melt over a temperature interval, the fraction of solid in the solid-liquid region, as calculated from the Scheil equation, was used to determine the fraction of latent heat to be liberated over a temperature interval within the solid-liquid zone. Comparison of calculated results for unidirectionally cooled aluminum-4 wt.% copper melt, with and without superheat, showed good agreement with alternative finite-difference techniques

  2. Modelling of solidification processing and continuous strip casting for copper-base alloys

    Energy Technology Data Exchange (ETDEWEB)

    Mahmoudi, Jafar [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Materials Processing

    2000-04-01

    An experimental and numerical study was carried out to investigate the solidification process in a copper continuous strip casting process. Heat flow and solidification process has been experimentally studied. Cooling curves during solidification were registered using a thermocouple of type K connected to a data acquisition system. Temperature measurements in the mould and cooling water were also performed. The numerical model considers a generalized set of mass, momentum and heat equations that is valid for the solid, liquid and solidification interval in the cast. A k-{epsilon} turbulence model, produced with the commercial program CFX, is used to analyse the solidification process of pure copper in the mould region of the caster. The fluid flow, temperature and heat flux distributions in the mould region of the caster were computed. The shape and location of the solidification front were also determined. The effects of the parameters such as heat transfer coefficient, casting speed, casting temperature, heat of fusion and specific heat on the shape and location of the solidification front and the heat transport at the mould-cast interface were investigated. The predicted temperature and heat flux distributions were compared with experimental measurements, and reasonable agreement was obtained. The solidification behaviour of pure copper and different copper base alloys has been studied. A series of solidification experiments using DTA furnace, mirror furnace and levitation technique were performed on different copper-base alloys. The undercooling, cooling rates of the liquid and the solid states, solidification times and temperatures were evaluated from the curves. The cooling curves for different samples were simulated using a FEM solidification program. It was found that the calculated values of the heat of fusion were much lower than the tabulated ones. The fraction of solid formed before quenching, in the DTA experiments, has been observed to be much higher

  3. Metastable and unstable cellular solidification of colloidal suspensions

    Science.gov (United States)

    Deville, Sylvain; Maire, Eric; Bernard-Granger, Guillaume; Lasalle, Audrey; Bogner, Agnès; Gauthier, Catherine; Leloup, Jérôme; Guizard, Christian

    2009-12-01

    Colloidal particles are often seen as big atoms that can be directly observed in real space. They are therefore becoming increasingly important as model systems to study processes of interest in condensed-matter physics such as melting, freezing and glass transitions. The solidification of colloidal suspensions has long been a puzzling phenomenon with many unexplained features. Here, we demonstrate and rationalize the existence of instability and metastability domains in cellular solidification of colloidal suspensions, by direct in situ high-resolution X-ray radiography and tomography observations. We explain such interface instabilities by a partial Brownian diffusion of the particles leading to constitutional supercooling situations. Processing under unstable conditions leads to localized and global kinetic instabilities of the solid/liquid interface, affecting the crystal morphology and particle redistribution behaviour.

  4. Oxygen and carbon transfer during solidification of semiconductor grade silicon in different processes

    Science.gov (United States)

    Ribeyron, P. J.; Durand, F.

    2000-03-01

    A model is established for comparing the solute distribution resulting from four solidification processes currently applied to semiconductor grade silicon: Czochralski pulling (CZ), floating zone (FZ), 1D solidification and electromagnetic continuous pulling (EMCP). This model takes into account solid-liquid interface exchange, evaporation to or contamination by the gas phase, container dissolution, during steady-state solidification, and in the preliminary preparation of the melt. For simplicity, the transfers are treated in the crude approximation of perfectly mixed liquid and boundary layers. As a consequence, only the axial ( z) distribution can be represented. Published data on oxygen and carbon transfer give a set of acceptable values for the thickness of the boundary layers. In the FZ and EMCP processes, oxygen evaporation can change the asymptotic behaviour of the reference Pfann law. In CZ and in 1D-solidification, a large variety of solute profile curves can be obtained, because they are very sensitive to the balance between crucible dissolution and evaporation. The CZ process clearly brings supplementary degrees of freedom via the geometry of the crucible, important for the dissolution phenomena, and via the rotation rate of the crystal and of the crucible, important for acting on transfer kinetics.

  5. Numerical model for dendritic solidification of binary alloys

    Science.gov (United States)

    Felicelli, S. D.; Heinrich, J. C.; Poirier, D. R.

    1993-01-01

    A finite element model capable of simulating solidification of binary alloys and the formation of freckles is presented. It uses a single system of equations to deal with the all-liquid region, the dendritic region, and the all-solid region. The dendritic region is treated as an anisotropic porous medium. The algorithm uses the bilinear isoparametric element, with a penalty function approximation and a Petrov-Galerkin formulation. Numerical simulations are shown in which an NH4Cl-H2O mixture and a Pb-Sn alloy melt are cooled. The solidification process is followed in time. Instabilities in the process can be clearly observed and the final compositions obtained.

  6. Finite element modelling of solidification phenomena

    Indian Academy of Sciences (India)

    Unknown

    Abstract. The process of solidification process is complex in nature and the simulation of such process is required in industry before it is actually undertaken. Finite element method is used to simulate the heat transfer process accompanying the solidification process. The metal and the mould along with the air gap formation ...

  7. Solidification Sequence of Spray-Formed Steels

    Science.gov (United States)

    Zepon, Guilherme; Ellendt, Nils; Uhlenwinkel, Volker; Bolfarini, Claudemiro

    2016-02-01

    Solidification in spray-forming is still an open discussion in the atomization and deposition area. This paper proposes a solidification model based on the equilibrium solidification path of alloys. The main assumptions of the model are that the deposition zone temperature must be above the alloy's solidus temperature and that the equilibrium liquid fraction at this temperature is reached, which involves partial remelting and/or redissolution of completely solidified droplets. When the deposition zone is cooled, solidification of the remaining liquid takes place under near equilibrium conditions. Scanning electron microscopy (SEM) and optical microscopy (OM) were used to analyze the microstructures of two different spray-formed steel grades: (1) boron modified supermartensitic stainless steel (SMSS) and (2) D2 tool steel. The microstructures were analyzed to determine the sequence of phase formation during solidification. In both cases, the solidification model proposed was validated.

  8. Particle Trapping and Banding in Rapid Colloidal Solidification

    KAUST Repository

    Elliott, J. A. W.; Peppin, S. S. L.

    2011-01-01

    We derive an expression for the nonequilibrium segregation coefficient of colloidal particles near a moving solid-liquid interface. The resulting kinetic phase diagram has applications for the rapid solidification of clay soils, gels, and related

  9. The solidification velocity of nickel and titanium alloys

    Science.gov (United States)

    Altgilbers, Alex Sho

    2002-09-01

    The solidification velocity of several Ni-Ti, Ni-Sn, Ni-Si, Ti-Al and Ti-Ni alloys were measured as a function of undercooling. From these results, a model for alloy solidification was developed that can be used to predict the solidification velocity as a function of undercooling more accurately. During this investigation a phenomenon was observed in the solidification velocity that is a direct result of the addition of the various alloying elements to nickel and titanium. The additions of the alloying elements resulted in an additional solidification velocity plateau at intermediate undercoolings. Past work has shown a solidification velocity plateau at high undercoolings can be attributed to residual oxygen. It is shown that a logistic growth model is a more accurate model for predicting the solidification of alloys. Additionally, a numerical model is developed from simple description of the effect of solute on the solidification velocity, which utilizes a Boltzmann logistic function to predict the plateaus that occur at intermediate undercoolings.

  10. Calculation of solidification microstructure maps for the system Al-Fe-Si

    International Nuclear Information System (INIS)

    Gilgien, P.

    1996-01-01

    Computer programs have been developed in order to calculate solidification microstructure maps for binary and ternary alloys. These programs are based on recent analytical models for the constrained growth of dendrites and eutectics. Due to the importance of phase diagrams data, programs for the calculation of growth kinetics are coupled with ThermoCalc, a commercial software for phase diagram calculations. These programs have been used to calculate a solidification microstructure map for the Al-Fe system from 0 to 4 at%Fe. Comparison of the calculated results with an experimental solidification microstructure map from the literature shows that all microstructure transitions were predicted. Nevertheless there remain significant discrepancies between some calculated and experimental transition velocities. The programs were also used to calculate solidification microstructure maps in the Al-rich corner of the Al-Fe-Si system (0 to 8 at% Fe and 0 to 8 at% Si). In this case also, calculated results were in satisfactory agreement with experimental solidification microstructure maps, although the comparison was only partial since experimental ternary microstructure maps are less complete than for the binary system, and because the available thermodynamic database does not, as yet, include metastable phases. Laser surface remelting experiments were carried out on an Al-4 at% Fe alloy in order to link results from the literature, obtained at high solidification rates by laser surface remelting and at low solidification rates by Bridman experiments. Finally, Bridman experiments were carried out with an Al-2.63 wt% Fe alloy in order to determine the critical velocity at which a planar Al-Al 13 Fe 4 eutectic front is destabilised in a cellular eutectic by a small amount of Si. The critical solidification velocity thus obtained was in agreement with a criterion of constitutional undercooling. (author) figs., tabs., refs

  11. On the role of solidification modelling in Integrated Computational Materials Engineering “ICME”

    International Nuclear Information System (INIS)

    Schmitz, G J; Böttger, B; Apel, M

    2016-01-01

    Solidification during casting processes marks the starting point of the history of almost any component or product. Integrated Computational Materials Engineering (ICME) [1-4] recognizes the importance of further tracking the history of microstructure evolution along the subsequent process chain. Solidification during joining processes in general happens quite late during production, where the parts to be joined already have experienced a number of processing steps which affected their microstructure. Reliable modelling of melting and dissolution of these microstructures represents a key issue before eventually modelling ‘re’-solidification e.g. during welding or soldering. Some instructive examples of microstructure evolution during a joining process obtained on the basis of synthetic and simulated initial microstructures of an Al-Cu binary model system are discussed. (paper)

  12. Modeling of multiphase flow with solidification and chemical reaction in materials processing

    Science.gov (United States)

    Wei, Jiuan

    Understanding of multiphase flow and related heat transfer and chemical reactions are the keys to increase the productivity and efficiency in industrial processes. The objective of this thesis is to utilize the computational approaches to investigate the multiphase flow and its application in the materials processes, especially in the following two areas: directional solidification, and pyrolysis and synthesis. In this thesis, numerical simulations will be performed for crystal growth of several III-V and II-VI compounds. The effects of Prandtl and Grashof numbers on the axial temperature profile, the solidification interface shape, and melt flow are investigated. For the material with high Prandtl and Grashof numbers, temperature field and growth interface will be significantly influenced by melt flow, resulting in the complicated temperature distribution and curved interface shape, so it will encounter tremendous difficulty using a traditional Bridgman growth system. A new design is proposed to reduce the melt convection. The geometric configuration of top cold and bottom hot in the melt will dramatically reduce the melt convection. The new design has been employed to simulate the melt flow and heat transfer in crystal growth with large Prandtl and Grashof numbers and the design parameters have been adjusted. Over 90% of commercial solar cells are made from silicon and directional solidification system is the one of the most important method to produce multi-crystalline silicon ingots due to its tolerance to feedstock impurities and lower manufacturing cost. A numerical model is developed to simulate the silicon ingot directional solidification process. Temperature distribution and solidification interface location are presented. Heat transfer and solidification analysis are performed to determine the energy efficiency of the silicon production furnace. Possible improvements are identified. The silicon growth process is controlled by adjusting heating power and

  13. Matching time and spatial scales of rapid solidification: dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

    Science.gov (United States)

    Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.; Fattebert, Jean-Luc; McKeown, Joseph T.

    2018-01-01

    A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu-Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid-liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu-Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying from ˜0.1 to ˜0.6 m s-1. After an ‘incubation’ time, the velocity of the planar solid-liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Finally, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid-liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).

  14. On the transition from short-range diffusion-limited to collision-limited growth in alloy solidification

    International Nuclear Information System (INIS)

    Aziz, M.J.; Boettinger, W.J.

    1994-01-01

    Short-range diffusion-limited growth, collision-limited growth, and the transition between the two regimes are explained as natural consequences of a single model for the kinetics of alloy solidification. Analytical expressions are developed for the velocity-undercooling function of a planar interface during dilute alloy solidification, using Turnbull's collision-limited growth model and the Continuous Growth Solute Trapping Model of Aziz and Kaplan both with and without a solute drag effect. The interface mobility, -dv/dT, is shown to be very high (proportional to the speed of sound) if the alloy is sufficiently dilute or if the growth rate is sufficiently rapid for nearly complete solute trapping. The interface mobility is reduced by the three orders of magnitude (becoming proportional to the diffusive speed) at intermediate growth rates where partial solute trapping occurs. Differences in low velocity predictions of the models with and without solute drag are also discussed. Comparison of the results of the analytical expressions to numerical solutions of the non-dilute kinetic model for Al-Be alloys shows that the dilute approximation breaks down at melt compositions on the order of 10 at.%. Similar variations in the interface mobility are shown for the disorder-trapping model of Boettinger and Aziz

  15. A macroscopic constitutive model of temperature-induced phase transition of polycrystalline Ni2MnGa by directional solidification

    International Nuclear Information System (INIS)

    Zhu, Yuping; Gu, Yunling; Liu, Hongguang

    2015-01-01

    Directional solidification technology has been widely used to improve the properties of polycrystalline Ni 2 MnGa materials. Mechanical training can adjust the internal organizational structures of the materials, reduce the stress of twin boundaries motion, and then result in larger strain at lower outfield levels. In this paper, we test the microscopic structure of Ni 2 MnGa polycrystalline ferromagnetic shape memory alloy produced by directional solidification and compress it along two axes successively for mechanical training. The influences of pre-compressive stresses on the temperature-induced strains are analyzed. The macroscopic mechanical behaviors show anisotropy. According to the generating mechanism of the macroscopic strain, a three-dimensional constitutive model is established. Based on thermodynamic method, the kinetic equations of the martensitic transformation and inverse transformation are presented considering the driving force and energy dissipation. The prediction curves of temperature-induce strains along two different directions are investigated. And the results coincide well with the experiment data. It well explains the macroscopic anisotropy mechanical behaviors and fits for using in engineering

  16. Solidification and casting

    CERN Document Server

    Cantor, Brian

    2002-01-01

    INDUSTRIAL PERSPECTIVEDirect chillcasting of aluminium alloysContinuous casting of aluminium alloysContinuous casting of steelsCastings in the automotive industryCast aluminium-silicon piston alloysMODELLING AND SIMULATIONModelling direct chill castingMold filling simulation of die castingThe ten casting rulesGrain selection in single crystal superalloy castingsDefects in aluminium shape castingPattern formation during solidificationPeritectic solidificationSTRUCTURE AND DEFECTSHetergeneous nucleation in aluminium alloysCo

  17. Modeling of solidification of MMC composites during gravity casting process

    Directory of Open Access Journals (Sweden)

    R. Zagórski

    2013-04-01

    Full Text Available The paper deals with computer simulation of gravity casting of the metal matrix composites reinforced with ceramics (MMC into sand mold. The subject of our interest is aluminum matrix composite (AlMMC reinforced with ceramic particles i.e. silicon carbide SiC and glass carbon Cg. The created model describes the process taking into account solidification and its influence on the distribution of reinforcement particles. The computer calculation has been carried out in 2D system with the use of Navier-Stokes equations using ANSYS FLUENT 13. The Volume of Fluid approach (VOF and enthalpy method have been used to model the air-fluid free surface (and also volume fraction of particular continuous phases and the solidification of the cast, respectively.

  18. Micromechanical modeling of stress-induced strain in polycrystalline Ni–Mn–Ga by directional solidification

    International Nuclear Information System (INIS)

    Zhu, Yuping; Shi, Tao; Teng, Yao

    2015-01-01

    Highlights: • A micromechanical model of directional solidification Ni–Mn–Ga is developed. • The stress–strain curves in different directions are tested. • The martensite Young’s moduli in different directions are predicted. • The macro reorientation strains in different directions are investigated. - Abstract: Polycrystalline ferromagnetic shape memory alloy Ni–Mn–Ga produced by directional solidification possess unique properties. Its compressive stress–strain behaviors in loading–unloading cycle show nonlinear and anisotropic. Based on the self-consistent theory and thermodynamics principle, a micromechanical constitutive model of polycrystalline Ni–Mn–Ga by directional solidification is developed considering the generating mechanism of the macroscopic strain and anisotropy. Then, the stress induced strains at different angles to solidification direction are calculated, and the results agree well with the experimental data. The predictive curves of martensite Young’s modulus and macro reorientation strain in different directions are investigated. It may provide theoretical guidance for the design and use of ferromagnetic shape memory alloy

  19. Numerical simulation of solute trapping phenomena using phase-field solidification model for dilute binary alloys

    Directory of Open Access Journals (Sweden)

    Henrique Silva Furtado

    2009-09-01

    Full Text Available Numerical simulation of solute trapping during solidification, using two phase-field model for dilute binary alloys developed by Kim et al. [Phys. Rev. E, 60, 7186 (1999] and Ramirez et al. [Phys. Rev. E, 69, 05167 (2004] is presented here. The simulations on dilute Cu-Ni alloy are in good agreement with one dimensional analytic solution of sharp interface model. Simulation conducted under small solidification velocity using solid-liquid interface thickness (2λ of 8 nanometers reproduced the solute (Cu equilibrium partition coefficient. The spurious numerical solute trapping in solid phase, due to the interface thickness was negligible. A parameter used in analytical solute trapping model was determined by isothermal phase-field simulation of Ni-Cu alloy. Its application to Si-As and Si-Bi alloys reproduced results that agree reasonably well with experimental data. A comparison between the three models of solute trapping (Aziz, Sobolev and Galenko [Phys. Rev. E, 76, 031606 (2007] was performed. It resulted in large differences in predicting the solidification velocity for partition-less solidification, indicating the necessity for new and more acute experimental data.

  20. A macroscopic constitutive model of temperature-induced phase transition of polycrystalline Ni{sub 2}MnGa by directional solidification

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Yuping, E-mail: zhuyuping@126.com; Gu, Yunling; Liu, Hongguang

    2015-02-25

    Directional solidification technology has been widely used to improve the properties of polycrystalline Ni{sub 2}MnGa materials. Mechanical training can adjust the internal organizational structures of the materials, reduce the stress of twin boundaries motion, and then result in larger strain at lower outfield levels. In this paper, we test the microscopic structure of Ni{sub 2}MnGa polycrystalline ferromagnetic shape memory alloy produced by directional solidification and compress it along two axes successively for mechanical training. The influences of pre-compressive stresses on the temperature-induced strains are analyzed. The macroscopic mechanical behaviors show anisotropy. According to the generating mechanism of the macroscopic strain, a three-dimensional constitutive model is established. Based on thermodynamic method, the kinetic equations of the martensitic transformation and inverse transformation are presented considering the driving force and energy dissipation. The prediction curves of temperature-induce strains along two different directions are investigated. And the results coincide well with the experiment data. It well explains the macroscopic anisotropy mechanical behaviors and fits for using in engineering.

  1. Analysis and calculation of macrosegregation in a casting ingot. MPS solidification model. Volume 1: Formulation and analysis

    Science.gov (United States)

    Maples, A. L.; Poirier, D. R.

    1980-01-01

    The physical and numerical formulation of a model for the horizontal solidification of a binary alloy is described. It can be applied in an ingot. The major purpose of the model is to calculate macrosegregation in a casting ingot which results from flow of interdendritic liquid during solidification. The flow, driven by solidification contractions and by gravity acting on density gradients in the interdendritic liquid, was modeled as flow through a porous medium. The symbols used are defined. The physical formulation of the problem leading to a set of equations which can be used to obtain: (1) the pressure field; (2) the velocity field: (3) mass flow and (4) solute flow in the solid plus liquid zone during solidification is presented. With these established, the model calculates macrosegregation after solidification is complete. The numerical techniques used to obtain solution on a computational grid are presented. Results, evaluation of the results, and recommendations for future development of the model are given. The macrosegregation and flow field predictions for tin-lead, aluminum-copper, and tin-bismuth alloys are included as well as comparisons of some of the predictions with published predictions or with empirical data.

  2. Kinetics of phase transformations

    International Nuclear Information System (INIS)

    Thompson, M.O.; Aziz, M.J.; Stephenson, G.B.

    1992-01-01

    This volume contains papers presented at the Materials Research Society symposium on Kinetics of Phase Transformations held in Boston, Massachusetts from November 26-29, 1990. The symposium provided a forum for research results in an exceptionally broad and interdisciplinary field. Presentations covered nearly every major class of transformations including solid-solid, liquid-solid, transport phenomena and kinetics modeling. Papers involving amorphous Si, a dominant topic at the symposium, are collected in the first section followed by sections on four major areas of transformation kinetics. The symposium opened with joint sessions on ion and electron beam induced transformations in conjunction with the Surface Chemistry and Beam-Solid Interactions: symposium. Subsequent sessions focused on the areas of ordering and nonlinear diffusion kinetics, solid state reactions and amorphization, kinetics and defects of amorphous silicon, and kinetics of melting and solidification. Seven internationally recognized invited speakers reviewed many of the important problems and recent results in these areas, including defects in amorphous Si, crystal to glass transformations, ordering kinetics, solid-state amorphization, computer modeling, and liquid/solid transformations

  3. Application of the dual reciprocity boundary element method for numerical modelling of solidification process

    Directory of Open Access Journals (Sweden)

    E. Majchrzak

    2008-12-01

    Full Text Available The dual reciprocity boundary element method is applied for numerical modelling of solidification process. This variant of the BEM is connected with the transformation of the domain integral to the boundary integrals. In the paper the details of the dual reciprocity boundary element method are presented and the usefulness of this approach to solidification process modelling is demonstrated. In the final part of the paper the examples of computations are shown.

  4. A coupled model on fluid flow, heat transfer and solidification in continuous casting mold

    Directory of Open Access Journals (Sweden)

    Xu-bin Zhang

    2017-11-01

    Full Text Available Fluid flow, heat transfer and solidification of steel in the mold are so complex but crucial, determining the surface quality of the continuous casting slab. In the current study, a 2D numerical model was established by Fluent software to simulate the fluid flow, heat transfer and solidification of the steel in the mold. The VOF model and k-ε model were applied to simulate the flow field of the three phases (steel, slag and air, and solidification model was used to simulate the solidification process. The phenomena at the meniscus were also explored through interfacial tension between the liquid steel and slag as well as the mold oscillation. The model included a 20 mm thick mold to clarify the heat transfer and the temperature distribution of the mold. The simulation results show that the liquid steel flows as upper backflow and lower backflow in the mold, and that a small circulation forms at the meniscus. The liquid slag flows away from the corner at the meniscus or infiltrates into the gap between the mold and the shell with the mold oscillating at the negative strip stage or at the positive strip stage. The simulated pitch and the depth of oscillation marks approximate to the theoretical pitch and measured depth on the slab.

  5. Multi-scale Modeling of Dendritic Alloy Solidification

    OpenAIRE

    Dagner, Johannes

    2009-01-01

    Solidification of metallic melts is one of the most important processes in material science. The microstructure, which is formed during freezing, determines the mechanical properties of the final product largely. Many physical phenomena influence the solidification process and hence the resulting microstructure. One important parameter is influence of melt flow, which may modify heat and species transport on a large range of length- and time-scales. On the micro-scale, it influences the conce...

  6. Theoretical modeling of cellular and dendritic solidification microstructures

    Science.gov (United States)

    Song, Younggil

    In this dissertation, we use three-dimensional (3D) phase-field (PF) modeling to investigate (i) 3D solid-liquid interface dynamics observed in microgravity experiments, and (ii) array patterns in a thin-sample geometry. In addition, using the two-dimensional (2D) dendritic-needle-network (DNN) model, we explore (iii) secondary sidebranching dynamics. Recently, solidification experiments are carried out in the DSI (Directional Solidification Insert) of the DECLIC (Device for the study of Critical LIquids and Crystallization) facility aboard the International Space Station (ISS). Thus, the directional solidification experiments are achieved under limited convective currents, and the experimental observations reveal unique dynamics of 3D microstructure in a purely diffusive growth regime. In this directional solidification setup, a temperature field between heat sources could evolve due to two main factors: (i) heat transfer within an adiabatic zone and (ii) latent heat rejection at the interface. These two thermal effects are phenomenologically characterized using a time-dependent thermal shift. In addition, we could quantitatively account for these thermal factors using a numerical calculation of the evolution of temperature field. We introduce these phenomenological and quantitative thermal representations into the PF model. The performed simulations using different thermal descriptions are compared to the experimental measurements from the initial planar interface dynamics to the final spacing selection. The DECLIC-DSI experimental observations exhibit complex grain boundary (GB) dynamics between large grains with a small misorientation. In the observations, several large grains with a small misorientation with respect to the temperature gradient are formed during solidification. Specifically, at a convergent GB, a localized group of misoriented cells penetrates into a nearby grain, which yields the morphological instability of grain boundaries. Remarkably, while

  7. Phase-field simulation of peritectic solidification closely coupled with directional solidification experiments in an Al-36 wt% Ni alloy

    International Nuclear Information System (INIS)

    Siquieri, R; Emmerich, H; Doernberg, E; Schmid-Fetzer, R

    2009-01-01

    In this work we present experimental and theoretical investigations of the directional solidification of Al-36 wt% Ni alloy. A phase-field approach (Folch and Plapp 2005 Phys. Rev. E 72 011602) is coupled with the CALPHAD (calculation of phase diagrams) method to be able to simulate directional solidification of Al-Ni alloy including the peritectic phase Al 3 Ni. The model approach is calibrated by systematic comparison to microstructures grown under controlled conditions in directional solidification experiments. To illustrate the efficiency of the model it is employed to investigate the effect of temperature gradient on the microstructure evolution of Al-36 wt% Ni during solidification.

  8. Solidification with back-diffusion of irregular eutectics

    Directory of Open Access Journals (Sweden)

    M. Trepczyńska-Łent

    2008-10-01

    Full Text Available The definition of the α - parameter back-diffusion has been introduced in the work. The alternative models of solidification were describedtaking into consideration back-diffusion process. The possibility of using those models for eutectic alloys solidification is worthyof interest.

  9. Particle Trapping and Banding in Rapid Colloidal Solidification

    KAUST Repository

    Elliott, J. A. W.

    2011-10-11

    We derive an expression for the nonequilibrium segregation coefficient of colloidal particles near a moving solid-liquid interface. The resulting kinetic phase diagram has applications for the rapid solidification of clay soils, gels, and related colloidal systems. We use it to explain the formation of bandlike defects in rapidly solidified alumina suspensions. © 2011 American Physical Society.

  10. Disorder trapping in Ni3(Al, Ti) by solidification from the undercooled melt

    International Nuclear Information System (INIS)

    Goetzinger, R.; Kurz, W.

    1997-01-01

    Modelling of rapid solidification predicts disorder trapping in the superlattice structure of Ni 3 Al. However, experimental investigations on this compound suffer from ambiguities concerning the solidification path. There is a phase selection competition between the ordered fcc γ'-phase (Ni 3 Al), the ordered bcc β-phase (NiAl), the disordered fcc γ-phase (Ni), the stable γ'/β eutectic and the metastable γ/β eutectic, and there are subsequent solid state transformations. A replacement of several at.% Al by Ti leads to a stabilization of the γ'-phase and to an avoidance of most of the problems encountered on Ni 3 Al. The experiments on Ni 3 (Al, Ti) presented here clearly show the expected disordered crystallization from the undercooled melt. This was proven by measuring the dendrite growth velocity of electromagnetically levitated droplets and by analysing the data in the framework of dendrite and kinetic growth models. Complementary microstructural investigations were performed on the as-solidified samples. (orig.)

  11. On the hot cracking susceptibility of a semisolid aluminium 6061 weld: Application of a coupled solidification- thermomechanical model

    International Nuclear Information System (INIS)

    Rajani, H R Zareie; Phillion, A B

    2015-01-01

    A coupled solidification-thermomechanical model is presented that investigates the hot tearing susceptibility of an aluminium 6061 semisolid weld. Two key phenomena are considered: excessive deformation of the semisolid weld, initiating a hot tear, and the ability of the semisolid weld to heal the hot tear by circulation of the molten metal. The model consists of two major modules: weld solidification and thermomechanical analysis. 1) By means of a multi-scale model of solidification, the microstructural evolution of the semisolid weld is simulated in 3D. The semisolid structure, which varies as a function of welding parameters, is composed of solidifying grains and a network of micro liquid channels. The weld solidification module is utilized to obtain the solidification shrinkage. The size of the micro liquid channels is used as an indicator to assess the healing ability of the semisolid weld. 2) Using the finite element method, the mechanical interaction between the weld pool and the base metal is simulated to capture the transient force field deforming the semisolid weld. Thermomechanical stresses and shrinkage stresses are both considered in the analysis; the solidification contractions are extracted from the weld solidification module and applied to the deformation simulation as boundary conditions. Such an analysis enables characterization of the potential for excessive deformation of the weld. The outputs of the model are used to study the effect of welding parameters including welding current and speed, and also welding constraint on the hot cracking susceptibility of an aluminium alloy 6061 semisolid weld. (paper)

  12. MCWASP XIV: International Conference on Modelling of Casting, Welding and Advanced Solidification Processes

    International Nuclear Information System (INIS)

    Yasuda, H

    2015-01-01

    The current volume represents contributed papers of the proceedings of the 14th international conference on ''Modeling of Casting, Welding and Advanced Solidification Processes (MCWASP XIV)'', Yumebutai International Conference Center, Awaji island, Hyogo, Japan on 21 – 26 June, 2016. The first conference of the series 'Modeling of Casting, Welding and Advanced Solidification Processes (MCWASP)' was started up in 1980, and this is the 14th conference. The participants are more than 100 scientists from industry and academia, coming from 19 countries. In the conference, we have 5 invited, 70 oral and 31 poster presentations on different aspects of the modeling. The conference deals with various casting processes (Ingot / shape casting, continuous casting, direct chill casting and welding), fundamental phenomena (nucleation and growth, dendritic growth, eutectic growth, micro-, meso- and macrostructure formation and defect formation), coupling problems (electromagnetic interactions, application of ultrasonic wave), development of experimental / computational methods and so on. This volume presents the cutting-edge research in the modeling of casting, welding and solidification processes. I would like to thank MAGMA Giessereitechnologie GmbH, Germany and SCSK Corporation, Japan for supporting the publication of contributed papers. Hideyuki Yasuda Conference Chairman Department of Materials Science and Engineering, Kyoto University Japan (preface)

  13. External field effects on diffusion and solidification derived from the free-volume model

    Science.gov (United States)

    Miller, R. I.; Ruff, R. C.

    1975-01-01

    Expressions for the diffusion coefficient and the solidification rate from the free-volume model of liquids developed by Turnbull and Cohen have been used to estimate the effects which microgravity and magnetic fields will have on these quantities. The mathematical formalism describing changes of the diffusion coefficient and the solidification rate is the same for both the microgravity and magnetic field cases, but the difference between the magnitudes of the two effects is quite large. The change in the two parameters is found to be less than .0001% for the microgravity case and on the order of 0.1 to 1.1% for the magnetic field case for four representative materials. The diffusion coefficient and the solidification rate are found to increase under the influence of an applied magnetic field, and this is in agreement with experimental observations.

  14. Evolution of solidification texture during additive manufacturing

    Science.gov (United States)

    Wei, H. L.; Mazumder, J.; DebRoy, T.

    2015-01-01

    Striking differences in the solidification textures of a nickel based alloy owing to changes in laser scanning pattern during additive manufacturing are examined based on theory and experimental data. Understanding and controlling texture are important because it affects mechanical and chemical properties. Solidification texture depends on the local heat flow directions and competitive grain growth in one of the six preferred growth directions in face centered cubic alloys. Therefore, the heat flow directions are examined for various laser beam scanning patterns based on numerical modeling of heat transfer and fluid flow in three dimensions. Here we show that numerical modeling can not only provide a deeper understanding of the solidification growth patterns during the additive manufacturing, it also serves as a basis for customizing solidification textures which are important for properties and performance of components. PMID:26553246

  15. A Three-Stage Mechanistic Model for Solidification Cracking During Welding of Steel

    Science.gov (United States)

    Aucott, L.; Huang, D.; Dong, H. B.; Wen, S. W.; Marsden, J.; Rack, A.; Cocks, A. C. F.

    2018-03-01

    A three-stage mechanistic model for solidification cracking during TIG welding of steel is proposed from in situ synchrotron X-ray imaging of solidification cracking and subsequent analysis of fracture surfaces. Stage 1—Nucleation of inter-granular hot cracks: cracks nucleate inter-granularly in sub-surface where maximum volumetric strain is localized and volume fraction of liquid is less than 0.1; the crack nuclei occur at solute-enriched liquid pockets which remain trapped in increasingly impermeable semi-solid skeleton. Stage 2—Coalescence of cracks via inter-granular fracture: as the applied strain increases, cracks coalesce through inter-granular fracture; the coalescence path is preferential to the direction of the heat source and propagates through the grain boundaries to solidifying dendrites. Stage 3—Propagation through inter-dendritic hot tearing: inter-dendritic hot tearing occurs along the boundaries between solidifying columnar dendrites with higher liquid fraction. It is recommended that future solidification cracking criterion shall be based on the application of multiphase mechanics and fracture mechanics to the failure of semi-solid materials.

  16. The modelling of heat, mass and solute transport in solidification systems

    Science.gov (United States)

    Voller, V. R.; Brent, A. D.; Prakash, C.

    1989-01-01

    The aim of this paper is to explore the range of possible one-phase models of binary alloy solidification. Starting from a general two-phase description, based on the two-fluid model, three limiting cases are identified which result in one-phase models of binary systems. Each of these models can be readily implemented in standard single phase flow numerical codes. Differences between predictions from these models are examined. In particular, the effects of the models on the predicted macro-segregation patterns are evaluated.

  17. Steady-state and dynamic models for particle engulfment during solidification

    Science.gov (United States)

    Tao, Yutao; Yeckel, Andrew; Derby, Jeffrey J.

    2016-06-01

    Steady-state and dynamic models are developed to study the physical mechanisms that determine the pushing or engulfment of a solid particle at a moving solid-liquid interface. The mathematical model formulation rigorously accounts for energy and momentum conservation, while faithfully representing the interfacial phenomena affecting solidification phase change and particle motion. A numerical solution approach is developed using the Galerkin finite element method and elliptic mesh generation in an arbitrary Lagrangian-Eulerian implementation, thus allowing for a rigorous representation of forces and dynamics previously inaccessible by approaches using analytical approximations. We demonstrate that this model accurately computes the solidification interface shape while simultaneously resolving thin fluid layers around the particle that arise from premelting during particle engulfment. We reinterpret the significance of premelting via the definition an unambiguous critical velocity for engulfment from steady-state analysis and bifurcation theory. We also explore the complicated transient behaviors that underlie the steady states of this system and posit the significance of dynamical behavior on engulfment events for many systems. We critically examine the onset of engulfment by comparing our computational predictions to those obtained using the analytical model of Rempel and Worster [29]. We assert that, while the accurate calculation of van der Waals repulsive forces remains an open issue, the computational model developed here provides a clear benefit over prior models for computing particle drag forces and other phenomena needed for the faithful simulation of particle engulfment.

  18. Simulations of rapid pressure-induced solidification in molten metals

    International Nuclear Information System (INIS)

    Patel, Mehul V.; Streitz, Frederick H.

    2004-01-01

    The process of interest in this study is the solidification of a molten metal subjected to rapid pressurization. Most details about solidification occurring when the liquid-solid coexistence line is suddenly transversed along the pressure axis remain unknown. We present preliminary results from an ongoing study of this process for both simple models of metals (Cu) and more sophisticated material models (MGPT potentials for Ta). Atomistic (molecular dynamics) simulations are used to extract details such as the time and length scales that govern these processes. Starting with relatively simple potential models, we demonstrate how molecular dynamics can be used to study solidification. Local and global order parameters that aid in characterizing the phase have been identified, and the dependence of the solidification time on the phase space distance between the final (P,T) state and the coexistence line has been characterized

  19. On the Role of Mantle Overturn during Magma Ocean Solidification

    Science.gov (United States)

    Boukaré, C. E.; Parmentier, E.; Parman, S. W.

    2017-12-01

    Solidification of potential global magma ocean(s) (MO) early in the history of terrestrial planets may play a key role in the evolution of planetary interiors by setting initial conditions for their long-term evolution. Constraining this initial structure of solid mantles is thus crucial but remains poorly understood. MO fractional crystallization has been proposed to generate gravitationally unstable Fe-Mg chemical stratification capable of driving solid-state mantle overturn. Fractional solidification and overturn hypothesis, while only an ideal limiting case, can explain important geochemical features of both the Moon and Mars. Current overturn models consider generally post-MO overturn where the cumulate pile remains immobile until the end of MO solidification. However, if the cumulate pile overturns during MO solidification, the general picture of early planet evolution might differ significantly from the static crystallization models. We show that the timing of mantle overturn can be characterized with a dimensionless number measuring the ratio of the MO solidification time and the purely compositional overturn timescale. Syn-solidification overturn occurs if this dimensionless parameter, Rc, exceeds a critical value. Rc is mostly affected by the competition between the MO solidification time and mantle viscosity. Overturn that occurs during solidification can result in smaller scales of mantle chemical heterogeneity that could persist for long times thus influencing the whole evolution of a planetary body. We will discuss the effects of compaction/percolation on mantle viscosity. If partially molten cumulate do not have time to compact during MO solidification, viscosity of cumulates would be significantly lower as the interstitcial melt fraction would be large. Both solid mantle remelting during syn-solidification overturn and porous convection of melt retained with the cumulates are expected to reduce the degree of fractional crystallization. Syn-solidification

  20. In Situ Study of Microstructure Evolution in Solidification of Hypereutectic Al-Si Alloys with Application of Thermal Analysis and Neutron Diffraction

    Science.gov (United States)

    Sediako, Dimitry G.; Kasprzak, Wojciech

    2015-09-01

    Understanding of the kinetics of solid-phase evolution in solidification of hypereutectic aluminum alloys is a key to control their as-cast microstructure and resultant mechanical properties, and in turn, to enhance the service characteristics of actual components. This study was performed to evaluate the solidification kinetics for three P-modified hypereutectic Al-19 pct Si alloys: namely, Al-Si binary alloy and with the subsequent addition of 2.8 pct Cu and 2.8 pct Cu + 0.7 pct Mg. Metallurgical evaluation included thermodynamic calculations of the solidification process using the FactSage™ 6.2 software package, as well as experimental thermal analysis, and in situ neutron diffraction. The study revealed kinetics of solid α-Al, solid Si, Al2Cu, and Mg2Si evolution, as well as the individual effects of Cu and Mg alloying additions on the solidification path of the Al-Si system. Various techniques applied in this study resulted in some discrepancies in the results. For example, the FactSage computations, in general, resulted in 281 K to 286 K (8 °C to 13 °C) higher Al-Si eutectic temperatures than the ones recorded in the thermal analysis, which are also ~278 K (~5 °C) higher than those observed in the in situ neutron diffraction. None of the techniques can provide a definite value for the solidus temperature, as this is affected by the chosen calculation path [283 K to 303 K (10 °C to 30 °C) higher for equilibrium solidification vs non-equilibrium] for the FactSage analysis; and further complicated by evolution of secondary Al-Cu and Mg-Si phases that commenced at the end of solidification. An explanation of the discrepancies observed and complications associated with every technique applied is offered in the paper.

  1. Formation of bands of ultrafine beryllium particles during rapid solidification of Al-Be alloys: Modeling and direct observations

    International Nuclear Information System (INIS)

    Elmer, J.W.; Tanner, L.E.; Smith, P.M.; Wall, M.A.; Aziz, M.J.

    1994-01-01

    Rapid solidification of dilute hyper-eutectic and monotectic alloys sometimes produces a dispersion of ultrafine randomly-oriented particles that lie in arrays parallel to the advancing solidification front. The authors characterize this effect in Al-Be where Be-rich particles with diameters on the order of 10 nm form in arrays spaced approximately 25 nm apart, and they present a model of macroscopically steady state but microscopically oscillatory motion of the solidification front to explain this unusual microstructure. The proposed mechanism involves; (i) the build-up of rejected solute in a diffusional boundary layer which slows down the growing crystal matrix, (2) the boundary layer composition entering a metastable liquid miscibility gap, (3) homogeneous nucleation of solute rich liquid droplets in the boundary layer, and crystallization of these droplets, and (4) growth of the matrix past the droplets and its reformation into a planar interface. The size of the Be-rich particles is limited by the beryllium supersaturation in the diffusional boundary layer. A numerical model was developed to investigate this solidification mechanism, and the results of the model are in good agreement with experimental observations of rapidly solidified Al-5 at.% Be

  2. The influence of buoyant forces and volume fraction of particles on the particle pushing/entrapment transition during directional solidification of Al/SiC and Al/graphite composites

    Science.gov (United States)

    Stefanescu, Doru M.; Moitra, Avijit; Kacar, A. Sedat; Dhindaw, Brij K.

    1990-01-01

    Directional solidification experiments in a Bridgman-type furnace were used to study particle behavior at the liquid/solid interface in aluminum metal matrix composites. Graphite or siliconcarbide particles were first dispersed in aluminum-base alloys via a mechanically stirred vortex. Then, 100-mm-diameter and 120-mm-long samples were cast in steel dies and used for directional solidification. The processing variables controlled were the direction and velocity of solidification and the temperature gradient at the interface. The material variables monitored were the interface energy, the liquid/particle density difference, the particle/liquid thermal conductivity ratio, and the volume fraction of particles. These properties were changed by selecting combinations of particles (graphite or silicon carbide) and alloys (Al-Cu, Al-Mg, Al-Ni). A model which considers process thermodynamics, process kinetics (including the role of buoyant forces), and thermophysical properties was developed. Based on solidification direction and velocity, and on materials properties, four types of behavior were predicted. Sessile drop experiments were also used to determine some of the interface energies required in calculation with the proposed model. Experimental results compared favorably with model predictions.

  3. Validation of a 3D multi-physics model for unidirectional silicon solidification

    NARCIS (Netherlands)

    Simons, P.; Lankhorst, A.M.; Habraken, A.; Faber, A.J.; Tiuleanu, D.; Pingel, R.

    2012-01-01

    A model for transient movements of solidification fronts has been added to X-stream, an existing multi-physics simulation program for high temperature processes with flow and chemical reactions. The implementation uses an enthalpy formulation and works on fixed grids. First we show the results of a

  4. Multiscale modeling of alloy solidification using a database approach

    Science.gov (United States)

    Tan, Lijian; Zabaras, Nicholas

    2007-11-01

    A two-scale model based on a database approach is presented to investigate alloy solidification. Appropriate assumptions are introduced to describe the behavior of macroscopic temperature, macroscopic concentration, liquid volume fraction and microstructure features. These assumptions lead to a macroscale model with two unknown functions: liquid volume fraction and microstructure features. These functions are computed using information from microscale solutions of selected problems. This work addresses the selection of sample problems relevant to the interested problem and the utilization of data from the microscale solution of the selected sample problems. A computationally efficient model, which is different from the microscale and macroscale models, is utilized to find relevant sample problems. In this work, the computationally efficient model is a sharp interface solidification model of a pure material. Similarities between the sample problems and the problem of interest are explored by assuming that the liquid volume fraction and microstructure features are functions of solution features extracted from the solution of the computationally efficient model. The solution features of the computationally efficient model are selected as the interface velocity and thermal gradient in the liquid at the time the sharp solid-liquid interface passes through. An analytical solution of the computationally efficient model is utilized to select sample problems relevant to solution features obtained at any location of the domain of the problem of interest. The microscale solution of selected sample problems is then utilized to evaluate the two unknown functions (liquid volume fraction and microstructure features) in the macroscale model. The temperature solution of the macroscale model is further used to improve the estimation of the liquid volume fraction and microstructure features. Interpolation is utilized in the feature space to greatly reduce the number of required

  5. MODELING SOLIDIFICATION-INDUCED STRESSES IN CERAMIC WASTE FORMS CONTAINING NUCLEAR WASTES

    International Nuclear Information System (INIS)

    Solbrig, Charles W.; Bateman, Kenneth J.

    2010-01-01

    The goal of this work is to produce a ceramic waste form (CWF) that permanently occludes radioactive waste. This is accomplished by absorbing radioactive salts into zeolite, mixing with glass frit, heating to a molten state 915 C to form a sodalite glass matrix, and solidifying for long-term storage. Less long term leaching is expected if the solidifying cooling rate doesn't cause cracking. In addition to thermal stress, this paper proposes that a stress is formed during solidification which is very large for fast cooling rates during solidification and can cause severe cracking. A solidifying glass or ceramic cylinder forms a dome on the cylinder top end. The temperature distribution at the time of solidification causes the stress and the dome. The dome height, ''the length deficit,'' produces an axial stress when the solid returns to room temperature with the inherent outer region in compression, the inner in tension. Large tensions will cause cracking of the specimen. The temperature deficit, derived by dividing the length deficit by the coefficient of thermal expansion, allows solidification stress theory to be extended to the circumferential stress. This paper derives the solidification stress theory, gives examples, explains how to induce beneficial stresses, and compares theory to experimental data.

  6. Radioactive gas solidification apparatus

    International Nuclear Information System (INIS)

    Kobayashi, Yoshihiro; Seki, Eiji; Yabu, Tomohiko; Matsunaga, Hiroyuki.

    1990-01-01

    Handling of a solidification container from the completion for the solidifying processing to the storage of radioactive gases by a remote control equipment such as a manipulator requires a great cost and is difficult to realize. In a radioactive gas solidification device for injection and solidification in accumulated layers of sputtered metals by glow discharge, radiation shieldings are disposed surrounding the entire container, and cooling water is supplied to a cooling vessel formed between the container and the shielding materials. The shielding materials are divided into upper and lower shielding materials, so that solidification container can be taken out from the shielding materials. As a result, the solidification container after the solidification of radioactive gases can be handled with ease. Further, after-heat can be removed effectively from the ion injection electrode upon solidifying treatment upon storage, to attain a radioactive gas solidifying processing apparatus which is safe, economical and highly reliable. (N.H.)

  7. A three-dimensional cellular automata model coupled with finite element method and thermodynamic database for alloy solidification

    Science.gov (United States)

    Zhao, Y.; Qin, R. S.; Chen, D. F.

    2013-08-01

    A three-dimensional (3D) cellular automata (CA) model has been developed for the simulation of microstructure evolution in alloy solidification. The governing rule for the CA model is associated with the phase transition driving force which is obtained via a thermodynamic database. This determines the migration rate of the non-equilibrium solid-liquid (SL) interface and is calculated according to the local temperature and chemical composition. The curvature of the interface and the anisotropic property of the surface energy are taken into consideration. A 3D finite element (FE) method is applied for the calculation of transient heat and mass transfer. Numerical calculations for the solidification of Fe-1.5 wt% C alloy have been performed. The morphological evolution of dendrites, carbon segregation and temperature distribution in both isothermal and non-isothermal conditions are studied. The parameters affecting the growth of equiaxed and columnar dendrites are discussed. The calculated results are verified using the analytical model and previous experiments. The method provides a sophisticated approach to the solidification of multi-phase and multi-component systems.

  8. Probing liquation cracking and solidification through modeling of momentum, heat, and solute transport during welding of aluminum alloys

    International Nuclear Information System (INIS)

    Mishra, S.; Chakraborty, S.; DebRoy, T.

    2005-01-01

    A transport phenomena-based mathematical model is developed to understand liquation cracking in weldments during fusion welding. Equations of conservation of mass, momentum, heat, and solute transport are numerically solved considering nonequilibrium solidification and filler metal addition to determine the solid and liquid phase fractions in the solidifying region and the solute distribution in the weld pool. An effective partition coefficient that considers the local interface velocity and the undercooling is used to simulate solidification during welding. The calculations show that convection plays a dominant role in the solute transport inside the weld pool. The predicted weld-metal solute content agreed well with the independent experimental observations. The liquation cracking susceptibility in Al-Cu alloy weldments could be reliably predicted by the model based on the computed solidifying weld-metal composition and solid fraction considering nonequilibrium solidification

  9. Inspection method for solidification product of radioactive waste and method of preparing solidification product of radiation waste

    International Nuclear Information System (INIS)

    Izumida, Tatsuo; Tamada, Shin; Matsuda, Masami; Kamata, Shoji; Kikuchi, Makoto.

    1993-01-01

    A powerful X-ray generation device using an electron-ray accelerator is used for inspecting presence or absence of inner voids in solidification products of radioactive wastes during or after solidification. By installing the X-ray CT system and the radioactive waste solidifying facility together, CT imaging for solidification products is conducted in a not-yet cured state of solidifying materials during or just after the injection. If a defect that deteriorates the durability of the solidification products should be detected, the solidification products are repaired, for example, by applying vibrations to the not-yet cured solidification products. Thus, since voids or cracks in the radioactive wastes solidification products, which were difficult to be measured so far, can be measured in a short period of time accurately thereby enabling to judge adaptability to the disposal standards, inspection cost for the radioactive waste solidification product can be saved remarkably. Further, the inside of the radioactive waste solidification products can be evaluated correctly and visually, so that safety in the ground disposal storage of the radioactive solidification products can be improved remarkably. (N.H.)

  10. Radioactive gas solidification treatment device

    International Nuclear Information System (INIS)

    Igarashi, Ryokichi; Watanabe, Yu; Seki, Eiji.

    1992-01-01

    In a radioactive gas solidification treatment device by using sputtering, spiral pipelines are disposed with a gap therebetween for cooling an ion injection electrode by passing cooling water during operation of the solidification treatment. During the operation of the solidification treatment, cooling water is passed in the pipelines to cool the ion injection electrode. During storage, a solidification vessel is cooled by natural heat dissipation from an exposed portion at the surface of the solidification vessel. Accordingly, after-heat of radioactive gas solidified in a metal accumulation layer can be removed efficiently, safely and economically to improve the reliability. (N.H.)

  11. Cellular automaton modeling of ductile iron microstructure in the thin wall

    Directory of Open Access Journals (Sweden)

    A.A. Burbelko

    2011-10-01

    Full Text Available The mathematical model of the globular eutectic solidification in 2D was designed. Proposed model is based on the Cellular Automaton Finite Differences (CA-FD calculation method. Model has been used for studies of the primary austenite and of globular eutectic grains growth during the solidification of the ductile iron with different carbon equivalent in the thin wall casting. Model takes into account, among other things, non-uniform temperature distribution in the casting wall cross-section, kinetics of the austenite and graphite grains nucleation, and non-equilibrium nature of the interphase boundary migration. Solidification of the DI with different carbon equivalents was analyzed. Obtained results were compared with the solidification path calculated by CALPHAD method.

  12. High-Throughput Study of Diffusion and Phase Transformation Kinetics of Magnesium-Based Systems for Automotive Cast Magnesium Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Alan A [The Ohio State Univ., Columbus, OH (United States); Zhao, Ji-Cheng [The Ohio State Univ., Columbus, OH (United States); Riggi, Adrienne [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Joost, William [US Dept. of Energy, Washington, DC (United States)

    2017-10-02

    The objective of the proposed study is to establish a scientific foundation on kinetic modeling of diffusion, phase precipitation, and casting/solidification, in order to accelerate the design and optimization of cast magnesium (Mg) alloys for weight reduction of U.S. automotive fleet. The team has performed the following tasks: 1) study diffusion kinetics of various Mg-containing binary systems using high-throughput diffusion multiples to establish reliable diffusivity and mobility databases for the Mg-aluminum (Al)-zinc (Zn)-tin (Sn)-calcium (Ca)-strontium (Sr)-manganese (Mn) systems; 2) study the precipitation kinetics (nucleation, growth and coarsening) using both innovative dual-anneal diffusion multiples and cast model alloys to provide large amounts of kinetic data (including interfacial energy) and microstructure atlases to enable implementation of the Kampmann-Wagner numerical model to simulate phase transformation kinetics of non-spherical/non-cuboidal precipitates in Mg alloys; 3) implement a micromodel to take into account back diffusion in the solid phase in order to predict microstructure and microsegregation in multicomponent Mg alloys during dendritic solidification especially under high pressure die-casting (HPDC) conditions; and, 4) widely disseminate the data, knowledge and information using the Materials Genome Initiative infrastructure (http://www.mgidata.org) as well as publications and digital data sharing to enable researchers to identify new pathways/routes to better cast Mg alloys.

  13. Solidification in Multicomponent Multiphase Systems (SIMMS)

    Science.gov (United States)

    Rex, S.; Hecht, U.

    2005-06-01

    The multiphase microstructures that evolve during the solidification of multicomponent alloys are attracting widespread interest for industrial applications and fundamental research.Thermodynamic databases are now well-established for many alloy systems. Thermodynamic calculations provide all the required information about phase equilibria, forming an integral part of both dedicated and comprehensive microstructure models. Among the latter, phase-field modelling has emerged as the method of choice. Solidification experiments are intended to trigger model development or to serve as benchmarks for model validation. For benchmarking, microgravity conditions offer a unique opportunity for avoiding buoyancy-induced convection and buoyancy forces in bulk samples. However, diffusion and the free-energy of interfaces and its anisotropy need to be determined.The measurement of chemical diffusivities in the liquid state can equally benefit from microgravity experiments.

  14. Low-level radwaste solidification

    International Nuclear Information System (INIS)

    Naughton, M.D.; Miller, C.C.; Nelson, R.A.; Tucker, R.F.

    1983-01-01

    This paper reports on a study of ''Advanced Low-Level Radioactive Waste Treatment Systems'' conducted under an EPRI contract. The object of the study is to identify advanced lowlevel radwaste treatment systems that are commercially available or are expected to be in the near future. The current state-ofthe-art in radwaste solidification technology is presented. Related processing technologies, such as the compaction of dry active waste (DAW), containers available for radwaste disposal, and the regulatory aspects of radwaste transportation and solidification, are described. The chemical and physical properties of the currently acceptable solidification agents, as identified in the Barnwell radwaste burial site license, are examined. The solidification agents investigated are hydraulic cements, thermoplastic polymers, and thermosetting polymers. It is concluded that solidification processes are complex and depend not only on the chemical and physical properties of the binder material and the waste, but also on how these materials are mixed

  15. Solidification method of radioactive wastes

    Energy Technology Data Exchange (ETDEWEB)

    Baba, Tsutomu; Chino, Koichi; Sasahira, Akira; Ikeda, Takashi

    1992-07-24

    Metal solidification material can completely seal radioactive wastes and it has high sealing effect even if a trace amount of evaporation should be caused. In addition, the solidification operation can be conducted safely by using a metal having a melting point of lower than that of the decomposition temperature of the radioactive wastes. Further, the radioactive wastes having a possibility of evaporation and scattering along with oxidation can be solidified in a stable form by putting the solidification system under an inert gas atmosphere. Then in the present invention, a metal is selected as a solidification material for radioactive wastes, and a metal, for example, lead or tin having a melting point of lower than that of the decomposition temperature of the wastes is used in order to prevent the release of the wastes during the solidification operation. Radioactive wastes which are unstable in air and scatter easily, for example, Ru or the like can be converted into a stable solidification product by conducting the solidification processing under an inert gas atmosphere. (T.M.).

  16. Inverse thermal analysis method to study solidification in cast iron

    DEFF Research Database (Denmark)

    Dioszegi, Atilla; Hattel, Jesper

    2004-01-01

    Solidification modelling of cast metals is widely used to predict final properties in cast components. Accurate models necessitate good knowledge of the solidification behaviour. The present study includes a re-examination of the Fourier thermal analysis method. This involves an inverse numerical...... solution of a 1-dimensional heat transfer problem connected to solidification of cast alloys. In the analysis, the relation between the thermal state and the fraction solid of the metal is evaluated by a numerical method. This method contains an iteration algorithm controlled by an under relaxation term...... inverse thermal analysis was tested on both experimental and simulated data....

  17. Matemathical description of solidification cooling curves of pure metals

    Directory of Open Access Journals (Sweden)

    Arno Müller

    1998-10-01

    Full Text Available The introduction of an "incubation time" to the Schwarz classical mathematical description of metals solidification, resulted in a new model called Modified Schwarz Model. By doing so it was possible to identify and quantify the "delay time" that separates the two heat waves traveling independently in a casting during the solidification: the Supercooled / Superheated Liquid and the Solid / Liquid. The thermal shock produced in the initial stage of the undercooling generation process, can be used as an important parameter in the forecasting of the solidification's behavior of pure metals and alloys, when changing mold's materials, pouring and ambient temperatures. The hypercooling proneness degree of metals and alloys, can also be calculated.

  18. Solidification paths in modified Inconel 625 weld overlay material

    DEFF Research Database (Denmark)

    Chandrasekaran, Karthik; Tiedje, Niels Skat; Hald, John

    2009-01-01

    Inconel 625 is commonly used for overlay welding to protect the base metal against high temperature corrosion. The efficiency of corrosion protection depends on effective mixing of the overlay weld with the base metal and the subsequent segregation of alloy elements during solidification....... Metallographic analysis of solidified samples of Inconel 625 with addition of selected elements is compared with thermodynamic modelling of segregation during solidification. The influence of changes in the melt chemistry on the formation of intermetallic phases during solidification is shown. In particular...

  19. Development of neural network models for the prediction of solidification mode, weld bead geometry and sensitisation in austenitic stainless steels

    International Nuclear Information System (INIS)

    Vasudevan, M.; Raj, B.; Prasad Rao, K.

    2005-01-01

    Quantitative models describing the effect of weld composition on the solidification mode, ferrite content and process parameters on the weld bead geometry are necessary in order to design composition of the welding consumable to ensure primary ferritic solidification mode, proper ferrite content and to ensure right choice of process parameters to achieve good bead geometry. A quantitative model on sensitisation behaviour of austenitic stainless steels is also necessary to optimise the composition of the austenitic stainless steel and to limit the strain on the material in order to enhance the resistance to sensitisation. The present paper discuss the development of quantitative models using artificial neural networks to correlate weld metal composition with solidification mode, process parameter with weld bead geometry and time for sensitisation with composition, strain in the material before welding and the temperature of exposure in austenitic stainless steels. (author)

  20. Numerical modelling of solidification of thin walled hypereutectic ductile cast iron

    DEFF Research Database (Denmark)

    Pedersen, Karl Martin; Hattel, Jesper; Tiedje, Niels

    2006-01-01

    Numerical simulation of solidification of ductile cast iron is normally based on a model where graphite nodules are surrounded by an austenite shell. The two phases are then growing as two concentric spheres governed by diffusion of carbon through the austenite shell. Experiments have however shown...... simulation of thin-walled ductile iron castings. Simulations have been performed with a 1-D numerical solidi¬fication model that includes the precipitation of non-eutectic austenite during the eutectic stage. Results from the simulations have been compared with experimental castings with wall thick...

  1. Multiscale modeling of the solidification microstructure evolution in the presence of ultrasonic stirring

    International Nuclear Information System (INIS)

    Nastac, Laurentiu

    2012-01-01

    Ultrasonic treatment (UST) was studied to improve the quality of cast ingots as well as to control the solidification microstructure evolution. Ultrasonically-induced cavitation consists of the formation of small cavities (bubbles) in the molten metal followed by their growth, pulsation and collapse. These cavities are created by the tensile stresses that are produced by acoustic waves in the rarefaction phase. The cavitation threshold pressure for nucleation of the bubbles may decrease with increasing the amount of dissolved gases and especially with the amount of inclusions in the melt. A UST model was developed to predict the ultrasonic cavitation and acoustic streaming. The developed UST modeling approach is based on the numerical solution of Lilley model (that is founded on Lighthills's acoustic analogy), fluid flow, and heat transfer equations, and mesoscopic modeling of the grain structure. The UST model was applied to study the solidification of Al-based alloys) under the presence of ultrasound. It is found that the predicted ultrasonic cavitation region is relatively small, the acoustic streaming is strong and thus the created/survived bubbles/nuclei are transported into the bulk liquid quickly. The predicted grain size under UST condition is at least one order of magnitude lower than that without UST, which is in excellent agreement with the experimental data.

  2. Solidification at the micro-scale

    International Nuclear Information System (INIS)

    Howe, A.

    2003-01-01

    The experimental determination and computer simulation of the micro-segregation accompanying the solidification of alloys continues to be a subject of much academic and industrial interest. Both are subject to progressively more sophisticated analyses, and a discussion is offered regarding the development and practical use of such studies. Simple steels are particularly difficult targets for such work: solidification does not end conveniently in a eutectic, the rapid diffusion particularly in the delta-ferrite phase obscures most evidence of what had occurred at the micro-scale during solidification, and one or more subsequent solid state phase transformations further obscure such details. Also, solidification at the micro-scale is inherently variable: the usual, dendrite morphologies encountered are, after all, instabilities in growth behaviour, and therefore such variability should be expected. For questions such as the relative susceptibility of different grades to particular problems, it is the average, typical behaviour that is of interest, whereas for other questions such as the on-set of macro-segregation, the local variability is paramount. Depending on the question being asked, and indeed the accuracy with which validatory data are available, simple pseudo-analytical equations employing various limiting assumptions, or sophisticated models which remove the need for most such limitations, could be appropriate. This paper highlights the contribution to such studies of various collaborative research forums within the European Union with which the author is involved. (orig.) [de

  3. Numerical simulation of freckle formation in directional solidification of binary alloys

    Science.gov (United States)

    Felicelli, Sergio D.; Heinrich, Juan C.; Poirier, David R.

    1992-01-01

    A mathematical model of solidification is presented which simulates the formation of segregation models known as 'freckles' during directional solidification of binary alloys. The growth of the two-phase or dendritic zone is calculated by solving the coupled equations of momentum, energy, and solute transport, as well as maintaining the thermodynamic constraints dictated by the phase diagram of the alloy. Calculations for lead-tin alloys show that the thermosolutal convection in the dendritic zone during solidification can produce heavily localized inhomogeneities in the composition of the final alloy.

  4. Solidification of AM and AZ magnesium alloys characterized by heat-transfer modeled thermal and calorimetric analysis and microsegregation study of directionally solidified microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Mirkovic, Djordje

    2008-05-09

    The micro-scale solidification of commercial Mg alloys of the AZ and AM series is in the focus of the present thesis. Two approaches of investigating solidification are implemented, complementary regarding temperature gradient and solidification rate, and also with respect to the generated microstructure. The first approach considers solidification under a negligible spatial temperature gradient. Here the solidification curves, i.e. fraction solid versus temperature, were determined by developing an improved heat-transfer modeling applicable on both differential thermal analysis (DTA) and differential scanning calorimetry (DSC) signals. The correlation between solidification enthalpy and fraction solid during solidification was tested in detail. A better evaluation of the measured DTA and DSC signals is attained through an independent measurement of the time constant as function of temperature for the applied equipment. A further improvement is achieved through a more impartial interpretation of the measured curves. Both improvements enable a better desmearing of measured signals and reduce the error induced by the operator. The novel tantalum encapsulation enabled appropriate handling of challenging Mg-alloys. The viability and limitations of thermal analysis in general to determine start and end of solidification of AZ magnesium alloys was also studied. The second approach is based on directional solidification in a high temperature gradient and at constant solidification rate, achieved by the Bridgman technique. The resulting dendritic microstructure and inherent microsegregation are studied in this work. The solute profiles, i.e. solute content versus solid phase fraction during solidification, are determined by an advanced treatment of the EPMA data. Problems that are demonstrated in this work are Al-loss and melt pollution due to reaction with typical sample container material made of unprotected steel. The development of an optimized boron nitride (BN

  5. Aluminum alloy weldability. Identification of weld solidification cracking mechanisms through novel experimental technique and model development

    Energy Technology Data Exchange (ETDEWEB)

    Coniglio, Nicolas

    2008-07-01

    The objective of the present thesis is to make advancements in understanding solidification crack formation in aluminum welds, by investigating in particular the aluminum 6060/4043 system. Alloy 6060 is typical of a family of Al-Mg-Si extrusion alloys, which are considered weldable only when using an appropriate filler alloy such as 4043 (Al-5Si). The effect of 4043 filler dilution (i.e. weld metal silicon content) on cracking sensitivity and solidification path of Alloy 6060 welds are investigated. Afterwards, cracking models are developed to propose mechanisms for solidification crack initiation and growth. Cracking Sensitivity. Building upon the concept that silicon improves weldability and that weldability can be defined by a critical strain rate, strain rate-composition combinations required for solidification crack formation in the Al- 6060/4043 system were determined using the newly developed Controlled Tensile Weldability (CTW) test utilizing local strain extensometer measurements. Results, presented in a critical strain rate - dilution map, show a crack - no crack boundary which reveals that higher local strain rates require higher 4043 filler dilution to avoid solidification cracking when arc welding Alloy 6060. Using the established crack - no crack boundary as a line of reference, additional parameters were examined and their influence on cracking characterized. These parameter influences have included studies of weld travel speed, weld pool contaminants (Fe, O, and H), and grain refiner additions (TiAl{sub 3} + Boron). Each parameter has been independently varied and its effect on cracking susceptibility quantified in terms of strain rate - composition combinations. Solidification Path. Solidification path of the Al-6060/4043 system was characterized using thermal analysis and phase identification. Increasing 4043 filler dilution from 0 to 16% in Alloy 6060 arc welds resulted in little effect on thermal arrests and microstructure, no effect on

  6. Solidification microstructure development

    Indian Academy of Sciences (India)

    Unknown

    A majority of manufacturing processes involve melting and solidification of metals and ... In such a case (for example, chill casting), the solidification thickness (S) is ... (5). Here, LX is the system length scale in one dimension and DS is the solute diffusivity in solid. Thermal and solutal diffusivities are finite and usually very ...

  7. Real-time X-ray transmission microscopy for fundamental studies solidification: Al-Al2Au eutectic

    International Nuclear Information System (INIS)

    Curreri, Peter A.; Kaukler, William F.; Sen, Subhayu

    1998-01-01

    High resolution real-time X-ray Transmission Microscopy, XTM, has been applied to obtain information fundamental to solidification of optically opaque metallic systems. We have previously reported the measurement of the solute profile in the liquid, phase growth, and detailed solid-liquid interfacial morphology of aluminum based alloys with exposure times less than 2 seconds. Recent advances in XTM furnace design have provided an increase in real-time magnification (during solidification) for the XTM from 40X to 160X. The increased magnification has enabled for the first time the XTM imaging of real-time growth of fibers and particles with diameters of 5 μm. We have previously applied this system to study the kinetics of formation and morphological evolution of secondary fibers and particles in Al-Bi monotectic alloys. In this paper we present the preliminary results of the first real-time observations of fiber morphology evolution in optically opaque bulk metal sample of Aluminum-Gold eutectic alloy. These studies show that the XTM can be applied to study the fundamentals of eutectic and monotectic solidification. We are currently attempting to apply this technology in the fundamentals of solidification in microgravity

  8. Plastic solidification of radioactive wastes

    International Nuclear Information System (INIS)

    Moriyama, Noboru

    1981-01-01

    Over 20 years have elapsed after the start of nuclear power development, and the nuclear power generation in Japan now exceeds the level of 10,000 MW. In order to meet the energy demands, the problem of the treatment and disposal of radioactive wastes produced in nuclear power stations must be solved. The purpose of the plastic solidification of such wastes is to immobilize the contained radionuclides, same as other solidification methods, to provide the first barrier against their move into the environment. The following matters are described: the nuclear power generation in Japan, the radioactive wastes from LWR plants, the position of plastic solidification, the status of plastic solidification in overseas countries and in Japan, the solidification process for radioactive wastes with polyethylene, and the properties of solidified products, and the leachability of radionuclides in asphalt solids. (J.P.N.)

  9. Modeling solute segregation during the solidification of γ-phase U-Mo alloys

    Energy Technology Data Exchange (ETDEWEB)

    Steiner, M.A., E-mail: mas4cw@virginia.edu [University of Virginia, Material Science and Engineering, 395 McCormick Rd, Charlottesville, VA 22904 (United States); Garlea, E. [Y-12 National Security Complex, Oak Ridge, TN 37831 (United States); Agnew, S.R. [University of Virginia, Material Science and Engineering, 395 McCormick Rd, Charlottesville, VA 22904 (United States)

    2016-06-15

    Using first principles calculations, it is demonstrated that solute segregation during U-Mo solidification can be modeled using the classic Brody-Fleming limited diffusion framework. The necessary supporting equations specific to the U-Mo alloy, along with careful verification of the assumptions underpinning the Brody-Fleming model are developed, allowing for concentration profile predictions as a function of alloy composition and cooling rate. The resulting model is compared to experimental solute concentration profiles, showing excellent agreement. Combined with complementary modeling of dendritic feature sizes, the solute segregation model can be used to predict the complete microstructural state of individual U-Mo volume elements based upon cooling rates, informing ideal processing routes.

  10. Crystallization kinetics in Si-1 at%Sn during rapid solidification in undercooled melt

    Science.gov (United States)

    Kuribayashi, K.; Ozawa, S.; Nagayama, K.; Inatomi, Y.

    2017-06-01

    In order to elucidate the cause of the morphological transition of crystals growing in an undercooled melt of semiconducting materials, we carried out the containerless solidification of undoped Si and Si-1 at%Sn using a CO2 laser-equipped electromagnetic levitator (EML). The crystallization of these materials was successfully achieved under controlled undercooling. The relation between the shape of growing crystals and the degree of undercooling in Si-1 at%Sn was similar to that in undoped Si; that is, plate-like needle crystals were observed at low undercooling, whereas at medium and high undercooling the shape of growing crystals changed to massive dendrites. The grain-size of as-solidified samples of Si-1 at%Sn was remarkably small compared with that of undoped Si. The surface morphologies of samples solidified by dropping the melt onto a chill plate of mirror-polished silicon consisted of typical twin-related dendrites. On the other hand, samples that were dropped from the undercooled state consisted of twin-free dendrites. The nucleation rate of two-dimensional nuclei calculated on the basis of two mechanisms, which are the twin-plane re-entrant edge mechanism and the twin-free mechanism, suggested that the morphological transition to twin-free dendrites from twin-related dendrites occurs when the degree of undercooling becomes larger than the critical value. These results indicate that the cause of the morphological transition of Si growing in the undercooled melt is not the roughening transition of the crystal-melt interface but the transition of the nucleation kinetics to the twin-free mechanism from the twin-related mechanism.

  11. Premature melt solidification during mold filling and its influence on the as-cast structure

    Science.gov (United States)

    Wu, M.; Ahmadein, M.; Ludwig, A.

    2018-03-01

    Premature melt solidification is the solidification of a melt during mold filling. In this study, a numerical model is used to analyze the influence of the pouring process on the premature solidification. The numerical model considers three phases, namely, air, melt, and equiaxed crystals. The crystals are assumed to have originated from the heterogeneous nucleation in the undercooled melt resulting from the first contact of the melt with the cold mold during pouring. The transport of the crystals by the melt flow, in accordance with the socalled "big bang" theory, is considered. The crystals are assumed globular in morphology and capable of growing according to the local constitutional undercooling. These crystals can also be remelted by mixing with the superheated melt. As the modeling results, the evolutionary trends of the number density of the crystals and the volume fraction of the solid crystals in the melt during pouring are presented. The calculated number density of the crystals and the volume fraction of the solid crystals in the melt at the end of pouring are used as the initial conditions for the subsequent solidification simulation of the evolution of the as-cast structure. A five-phase volume-average model for mixed columnar-equiaxed solidification is used for the solidification simulation. An improved agreement between the simulation and experimental results is achieved by considering the effect of premature melt solidification during mold filling. Finally, the influences of pouring parameters, namely, pouring temperature, initial mold temperature, and pouring rate, on the premature melt solidification are discussed.

  12. Advances in Solidification Processing

    Directory of Open Access Journals (Sweden)

    Hugo F. Lopez

    2015-08-01

    Full Text Available Melt solidification is the shortest and most viable route to obtain components, starting from the design to the finished products. Hence, a sound knowledge of the solidification of metallic materials is essential for the development of advanced structural metallic components that drive modern technological societies. As a result, there have been innumerable efforts and full conferences dedicated to this important subject [1–6]. In addition, there are various scientific journals fully devoted to investigating the various aspects which give rise to various solidification microstructures [7–9]. [...

  13. Effect Of Natural Convection On Directional Solidification Of Pure Metal

    Directory of Open Access Journals (Sweden)

    Skrzypczak T.

    2015-06-01

    Full Text Available The paper is focused on the modeling of the directional solidification process of pure metal. During the process the solidification front is sharp in the shape of the surface separating liquid from solid in three dimensional space or a curve in 2D. The position and shape of the solid-liquid interface change according to time. The local velocity of the interface depends on the values of heat fluxes on the solid and liquid sides. Sharp interface solidification belongs to the phase transition problems which occur due to temperature changes, pressure, etc. Transition from one state to another is discontinuous from the mathematical point of view. Such process can be identified during water freezing, evaporation, melting and solidification of metals and alloys, etc.

  14. Progress on Numerical Modeling of the Dispersion of Ceramic Nanoparticles During Ultrasonic Processing and Solidification of Al-Based Nanocomposites

    Science.gov (United States)

    Zhang, Daojie; Nastac, Laurentiu

    2016-12-01

    In present study, 6061- and A356-based nano-composites are fabricated by using the ultrasonic stirring technology (UST) in a coreless induction furnace. SiC nanoparticles are used as the reinforcement. Nanoparticles are added into the molten metal and then dispersed by ultrasonic cavitation and acoustic streaming assisted by electromagnetic stirring. The applied UST parameters in the current experiments are used to validate a recently developed magneto-hydro-dynamics (MHD) model, which is capable of modeling the cavitation and nanoparticle dispersion during UST processing. The MHD model accounts for turbulent fluid flow, heat transfer and solidification, and electromagnetic field, as well as the complex interaction between the nanoparticles and both the molten and solidified alloys by using ANSYS Maxwell and ANSYS Fluent. Molecular dynamics (MD) simulations are conducted to analyze the complex interactions between the nanoparticle and the liquid/solid interface. The current modeling results demonstrate that a strong flow can disperse the nanoparticles relatively well during molten metal and solidification processes. MD simulation results prove that ultrafine particles (10 nm) will be engulfed by the solidification front instead of being pushed, which is beneficial for nano-dispersion.

  15. Determination of Systems Suitable for Study as Monotectic Binary Metallic Alloy Solidification Models

    Science.gov (United States)

    Smith, J. E., Jr.

    1983-01-01

    Succinonitrile-water and diethylene glycol-ethyl salicylate are two transparent systems which have been studied as monotectic binary metallic alloy solidification models. Being transparent, these systems allow for the direct observations of phase transformations and solidification reactions. The objective was to develop a screening technique to find systems of interest and then experimentally measure those systems. The succinonitrile-water system was used to check the procedures. To simulate the phase diagram of the system, two computer programs which determine solid-liquid and liquid-liquid equilibria were obtained. These programs use the UNIFAC method to determine activity coefficients and together with several other programs were used to predict the phase diagram. An experimental apparatus was developed and the succinonitrile-water phase diagram measured. The diagram was compared to both the simulation and literature data. Substantial differences were found in the comparisons which serve to demonstrate the need for this procedure.

  16. Origin of grain orientation during solidification of an aluminum alloy

    International Nuclear Information System (INIS)

    Wei, H.L.; Elmer, J.W.; DebRoy, T.

    2016-01-01

    The evolution of grain morphology during solidification of a moving aluminum alloy pool is simulated by considering heat transfer, flow of liquid metal in the molten pool and solidification parameters. The computationally efficient model consists of a 3D coupled heat transfer and fluid flow simulation to predict the molten pool shape and temperature field, and a 2D model of grain formation in the molten pool. The results demonstrate that columnar grains grow in a curved pattern rather than along straight lines from the fusion boundary towards the center of the molten pool. The calculated results are validated with independent experimental data. The computed ratio of local temperature gradient to solidification rate, G/R, is used to model the columnar to equiaxed transition during solidification. The simulated results show that only curved columnar grains are formed when the scanning speed is low (2.0 mm/s). In contrast, a transition from curved columnar to equiaxed morphologies occurs at the higher scanning speeds of 8.0 mm/s and 11.5 mm/s, with higher equiaxed grain fraction at higher speed. The similarities between the physical processes governing fusion welding and additive manufacturing (AM) make the model capable of predicting grain orientation in both processes.

  17. LLNL Chemical Kinetics Modeling Group

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  18. Numerical modeling of coupled heat transfer and phase transformation for solidification of the gray cast iron

    DEFF Research Database (Denmark)

    Jabbari, Masoud; Hosseinzadeh, Azin

    2013-01-01

    In the present study the numerical model in 2D is used to study the solidification bahavior of the gray cast iron. The conventional heat transfer is coupled with the proposed micro-model to predict the amount of different phases, i.e. total austenite (c) phase, graphite (G) and cementite (C...

  19. Solidification paths of multicomponent monotectic aluminum alloys

    Energy Technology Data Exchange (ETDEWEB)

    Mirkovic, Djordje; Groebner, Joachim [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Street 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, Rainer [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Street 42, D-38678 Clausthal-Zellerfeld (Germany)], E-mail: schmid-fetzer@tu-clausthal.de

    2008-10-15

    Solidification paths of three ternary monotectic alloy systems, Al-Bi-Zn, Al-Sn-Cu and Al-Bi-Cu, are studied using thermodynamic calculations, both for the pertinent phase diagrams and also for specific details concerning the solidification of selected alloy compositions. The coupled composition variation in two different liquids is quantitatively given. Various ternary monotectic four-phase reactions are encountered during solidification, as opposed to the simple binary monotectic, L' {yields} L'' + solid. These intricacies are reflected in the solidification microstructures, as demonstrated for these three aluminum alloy systems, selected in view of their distinctive features. This examination of solidification paths and microstructure formation may be relevant for advanced solidification processing of multicomponent monotectic alloys.

  20. Fundamental Metallurgy of Solidification

    DEFF Research Database (Denmark)

    Tiedje, Niels

    2004-01-01

    The text takes the reader through some fundamental aspects of solidification, with focus on understanding the basic physics that govern solidification in casting and welding. It is described how the first solid is formed and which factors affect nucleation. It is described how crystals grow from...

  1. Selection of doublet cellular patterns in directional solidification through spatially periodic perturbations

    International Nuclear Information System (INIS)

    Losert, W.; Stillman, D.A.; Cummins, H.Z.; Kopczynski, P.; Rappel, W.; Karma, A.

    1998-01-01

    Pattern formation at the solid-liquid interface of a growing crystal was studied in directional solidification using a perturbation technique. We analyzed both experimentally and numerically the stability range and dynamical selection of cellular arrays of 'doublets' with asymmetric tip shapes, separated by alternate deep and shallow grooves. Applying an initial periodic perturbation of arbitrary wavelength to the unstable planar interface allowed us to force the interface to evolve into doublet states that would not otherwise be dynamically accessible from a planar interface. We determined systematically the ranges of wavelength corresponding to stable singlets, stable doublets, and transient unstable patterns. Experimentally, this was accomplished by applying a brief UV light pulse of a desired spatial periodicity to the planar interface during the planar-cellular transient using the model alloy Succinonitrile-Coumarin 152. Numerical simulations of the nonlinear evolution of the interface were performed starting from a small sinusoidal perturbation of the steady-state planar interface. These simulations were carried out using a computationally efficient phase-field symmetric model of directional solidification with recently reformulated asymptotics and vanishing kinetics [A. Karma and W.-J. Rappel, Phys. Rev. E 53 R3017 (1996); Phys. Rev. Lett. 77, 4050 (1996); Phys. Rev. E 57, 4323 (1998)], which allowed us to simulate spatially extended arrays that can be meaningfully compared to experiments. Simulations and experiments show remarkable qualitative agreement in the dynamic evolution, steady-state structure, and instability mechanisms of doublet cellular arrays. copyright 1998 The American Physical Society

  2. Existence and regularity of solutions of a phase field model for solidification with convection of pure materials in two dimensions

    Directory of Open Access Journals (Sweden)

    Jose Luiz Boldrini

    2003-11-01

    Full Text Available We study the existence and regularity of weak solutions of a phase field type model for pure material solidification in presence of natural convection. We assume that the non-stationary solidification process occurs in a two dimensional bounded domain. The governing equations of the model are the phase field equation coupled with a nonlinear heat equation and a modified Navier-Stokes equation. These equations include buoyancy forces modelled by Boussinesq approximation and a Carman-Koseny term to model the flow in mushy regions. Since these modified Navier-Stokes equations only hold in the non-solid regions, which are not known a priori, we have a free boundary-value problem.

  3. A comparison of acoustic levitation with microgravity processing for containerless solidification of ternary Al-Cu-Sn alloy

    Science.gov (United States)

    Yan, N.; Hong, Z. Y.; Geng, D. L.; Wei, B.

    2015-07-01

    The containerless rapid solidification of liquid ternary Al-5 %Cu-65 %Sn immiscible alloy was accomplished at both ultrasonic levitation and free fall conditions. A maximum undercooling of 185 K (0.22 T L) was obtained for the ultrasonically levitated alloy melt at a cooling rate of about 122 K s-1. Meanwhile, the cooling rate of alloy droplets in drop tube varied from 102 to 104 K s-1. The macrosegregation was effectively suppressed through the complex melt flow under ultrasonic levitation condition. In contrast, macrosegregation became conspicuous and core-shell structures with different layers were formed during free fall. The microstructure formation mechanisms during rapid solidification at containerless states were investigated in comparison with the conventional static solidification process. It was found that the liquid phase separation and structural growth kinetics may be modulated by controlling both alloy undercooling and cooling rate.

  4. Multiscale modelling of solidification microstructures, including microsegregation and microporosity, in an Al-Si-Cu alloy

    International Nuclear Information System (INIS)

    Lee, P.D.; Chirazi, A.; Atwood, R.C.; Wang, W.

    2004-01-01

    Phase transition phenomena in metallic alloys involve complex physical processes occurring over a wide range of temporal, spatial and energy scales. Multiscale modelling is a powerful methodology for understanding these complex systems. In this paper, a multiscale model of grain and pore formation is presented during solidification. At the microscale, a combined stochastic-deterministic approach based on the cellular automata method is used to solve multicomponent diffusion in a three-phase system (liquid, solid and gas), simulating the nucleation and growth of both grains and pores. The impingement of the growing pores upon the developing solid is also solved to predict the tortuous shape of the porosity, a critical factor for fatigue properties. The micromodel is coupled with a finite element method (FEM) solution of the macroscale heat transfer and fluid flow in industrial castings through the temperature and pressure fields. The result model was used to investigate the influence of local solidification time, hydrogen content, local metallostatic pressure and alloy composition upon the predicted grain structure and pore morphology. Comparison of the model predictions to both laboratory and industrial scale castings are presented

  5. Containerless solidification of BiFeO3 oxide under microgravity

    Science.gov (United States)

    Yu, Jianding; Arai, Yasutomo; Koshikawa, Naokiyo; Ishikawa, Takehito; Yoda, Shinichi

    1999-07-01

    Containerless solidification of BiFeO3 oxide has been carried out under microgravity with Electrostatic Levitation Furnace (ELF) aboard on the sounding rocket (TR-IA). It is a first containerless experiment using ELF under microgravity for studying the solidification of oxide insulator material. Spherical BiFeO3 sample with diameter of 5mm was heated by two lasers in oxygen and nitrogen mixing atmosphere, and the sample position by electrostatic force under pinpoint model and free drift model. In order to compare the solidification behavior in microgravity with on ground, solidification experiments of BiFeO3 in crucible and drop tube were carried out. In crucible experiment, it was very difficult to get single BiFeO3 phase, because segregation of Fe2O3 occured very fast and easily. In drop tube experiment, fine homogeneous BiFeO3 microstructure was obtained in a droplet about 300 μm. It implies that containerless processing can promote the phase selection in solidification. In microgravity experiment, because the heating temperature was lower than that of estimated, the sample was heated into Fe2O3+liquid phase region. Fe2O3 single crystal grew on the surface of the spherical sample, whose sample was clearly different from that observed in ground experiments.

  6. Nucleation and solidification of thin walled ductile iron - Experiments and numerical simulation

    DEFF Research Database (Denmark)

    Pedersen, Karl Martin; Tiedje, Niels Skat

    2005-01-01

    Investigation of solidification of thin walled ductile cast iron has been performed based on experiments and numerical simulation. The experiments were based on temperature and microstructure examination. Results of the experiments have been compared with a 1-D numerical solidification model...

  7. Phase-field modelling of as-cast microstructure evolution in nickel-based superalloys

    International Nuclear Information System (INIS)

    Warnken, N.; Ma, D.; Drevermann, A.; Reed, R.C.; Fries, S.G.; Steinbach, I.

    2009-01-01

    A modelling approach is presented for the prediction of microstructure evolution during directional solidification of nickel-based superalloys. A phase-field model is coupled to CALPHAD thermodynamic and kinetic (diffusion) databases, so that a multicomponent alloy representative of those used in industrial practice can be handled. Dendritic growth and the formation of interdendritic phases in an isothermal (2-D) cross-section are simulated for a range of solidification parameters. The sensitivity of the model to changes in the solidification input parameters is investigated. It is demonstrated that the predicted patterns of microsegregation obtained from the simulations compare well to the experimental ones; moreover, an experimentally observed change in the solidification sequence is correctly predicted. The extension of the model to 3-D simulations is demonstrated. Simulations of the homogenization of the as-cast structure during heat treatment are presented.

  8. Phase-field modelling of as-cast microstructure evolution in nickel-based superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Warnken, N., E-mail: n.warnken@bham.ac.uk [University of Birmingham, Department of Metallurgy and Materials, Edgbaston, Birmingham B15 2TT (United Kingdom); Ma, D. [Foundry Institute of the RWTH-Aachen, Intzestr. 5, 52072 Aachen (Germany); Drevermann, A. [ACCESS e.V., Intzestr. 5, 52072 Aachen (Germany); Reed, R.C. [University of Birmingham, Department of Metallurgy and Materials, Edgbaston, Birmingham B15 2TT (United Kingdom); Fries, S.G. [SGF Consultancy, 52064 Aachen (Germany)] [ICAMS, Ruhr University Bochum, Stiepeler Strasse 129, D-44780 Bochum (Germany); Steinbach, I. [ICAMS, Ruhr University Bochum, Stiepeler Strasse 129, D-44780 Bochum (Germany)

    2009-11-15

    A modelling approach is presented for the prediction of microstructure evolution during directional solidification of nickel-based superalloys. A phase-field model is coupled to CALPHAD thermodynamic and kinetic (diffusion) databases, so that a multicomponent alloy representative of those used in industrial practice can be handled. Dendritic growth and the formation of interdendritic phases in an isothermal (2-D) cross-section are simulated for a range of solidification parameters. The sensitivity of the model to changes in the solidification input parameters is investigated. It is demonstrated that the predicted patterns of microsegregation obtained from the simulations compare well to the experimental ones; moreover, an experimentally observed change in the solidification sequence is correctly predicted. The extension of the model to 3-D simulations is demonstrated. Simulations of the homogenization of the as-cast structure during heat treatment are presented.

  9. Microstructural evolution in Mg-Zn alloys during solidification: An experimental and simulation study

    Science.gov (United States)

    Paliwal, Manas; Jung, In-Ho

    2014-05-01

    A comprehensive microstructural evolution of Mg-1.5, 4.0 and 5.5 wt% Zn alloys with respect to the solidification parameters such as thermal gradient (G), solidification velocity (V), cooling rate (GV) and solute (Zn) content were investigated in the present study. Solidification techniques such as directional solidification and wedge casting were employed in order to obtain cooling rates between 0.05 and 250 K/s. Microstructural features such as secondary dendrite arm spacing (SDAS), primary dendrite arm spacing (PDAS), microsegregration along the secondary dendrites and secondary phase fractions were experimentally determined. A solidification model that incorporates solute back diffusion, secondary arm coarsening, dendrite tip undercooling and dynamically linked with accurate thermodynamic databases is used to explain the experimental results.

  10. Overview of the Tusas Code for Simulation of Dendritic Solidification

    Energy Technology Data Exchange (ETDEWEB)

    Trainer, Amelia J. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Newman, Christopher Kyle [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Francois, Marianne M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-01-07

    The aim of this project is to conduct a parametric investigation into the modeling of two dimensional dendrite solidification, using the phase field model. Specifically, we use the Tusas code, which is for coupled heat and phase-field simulation of dendritic solidification. Dendritic solidification, which may occur in the presence of an unstable solidification interface, results in treelike microstructures that often grow perpendicular to the rest of the growth front. The interface may become unstable if the enthalpy of the solid material is less than that of the liquid material, or if the solute is less soluble in solid than it is in liquid, potentially causing a partition [1]. A key motivation behind this research is that a broadened understanding of phase-field formulation and microstructural developments can be utilized for macroscopic simulations of phase change. This may be directly implemented as a part of the Telluride project at Los Alamos National Laboratory (LANL), through which a computational additive manufacturing simulation tool is being developed, ultimately to become part of the Advanced Simulation and Computing Program within the U.S. Department of Energy [2].

  11. Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulations

    International Nuclear Information System (INIS)

    Monk, J; Mendelev, M I; Yang, Y; Asta, M; Hoyt, J J; Sun, D Y

    2010-01-01

    The generation and dissipation of latent heat at the moving solid–liquid boundary during non-equilibrium molecular dynamics (MD) simulations of crystallization can lead to significant underestimations of the interface mobility. In this work we examine the heat flow problem in detail for an embedded atom description of pure Ni and offer strategies to obtain an accurate value of the kinetic coefficient, μ. For free-solidification simulations in which the entire system is thermostated using a Nose–Hoover or velocity rescaling algorithm a non-uniform temperature profile is observed and a peak in the temperature is found at the interface position. It is shown that if the actual interface temperature, rather than the thermostat set point temperature, is used to compute the kinetic coefficient then μ is approximately a factor of 2 larger than previous estimates. In addition, we introduce a layered thermostat method in which several sub-regions, aligned normal to the crystallization direction, are indepently thermostated to a desired undercooling. We show that as the number of thermostats increases (i.e., as the width of each independently thermostated layer decreases) the kinetic coefficient converges to a value consistent with that obtained using a single thermostat and the calculated interface temperature. Also, the kinetic coefficient was determined from an analysis of the equilibrium fluctuations of the solid–liquid interface position. We demonstrate that the kinetic coefficient obtained from the relaxation times of the fluctuation spectrum is equivalent to the two values obtained from free-solidification simulations provided a simple correction is made for the contribution of heat flow controlled interface motion. Finally, a one-dimensional phase field model that captures the effect of thermostats has been developed. The mesoscale model reproduces qualitatively the results from MD simulations and thus allows for an a priori estimate of the accuracy of a

  12. Species redistribution during solidification of nuclear fuel waste metal castings

    Energy Technology Data Exchange (ETDEWEB)

    Naterer, G F; Schneider, G E [Waterloo Univ., ON (Canada)

    1994-12-31

    An enthalpy-based finite element model and a binary system species redistribution model are developed and applied to problems associated with solidification of nuclear fuel waste metal castings. Minimal casting defects such as inhomogeneous solute segregation and cracks are required to prevent container corrosion and radionuclide release. The control-volume-based model accounts for equilibrium solidification for low cooling rates and negligible solid state diffusion for high cooling rates as well as intermediate conditions. Test problems involving nuclear fuel waste castings are investigated and correct limiting cases of species redistribution are observed. (author). 11 refs., 1 tab., 13 figs.

  13. Macrosegregation Resulting from Directional Solidification Through an Abrupt Change in Cross-Sections

    Science.gov (United States)

    Lauer, M.; Poirier, D. R.; Ghods, M.; Tewari, S. N.; Grugel, R. N.

    2017-01-01

    Simulations of the directional solidification of two hypoeutectic alloys (Al-7Si alloy and Al-19Cu) and resulting macrosegregation patterns are presented. The casting geometries include abrupt changes in cross-section from a larger width of 9.5 mm to a narrower 3.2 mm width then through an expansion back to a width of 9.5 mm. The alloys were chosen as model alloys because they have similar solidification shrinkages, but the effect of Cu on changing the density of the liquid alloy is about an order of magnitude greater than that of Si. The simulations compare well with experimental castings that were directionally solidified in a graphite mold in a Bridgman furnace. In addition to the simulations of the directional solidification in graphite molds, some simulations were effected for solidification in an alumina mold. This study showed that the mold must be included in numerical simulations of directional solidification because of its effect on the temperature field and solidification. For the model alloys used for the study, the simulations clearly show the interaction of the convection field with the solidifying alloys to produce a macrosegregation pattern known as "steepling" in sections with a uniform width. Details of the complex convection- and segregation-patterns at both the contraction and expansion of the cross-sectional area are revealed by the computer simulations. The convection and solidification through the expansions suggest a possible mechanism for the formation of stray grains. The computer simulations and the experimental castings have been part of on-going ground-based research with the goal of providing necessary background for eventual experiments aboard the ISS. For casting practitioners, the results of the simulations demonstrate that computer simulations should be applied to reveal interactions between alloy solidification properties, solidification conditions, and mold geometries on macrosegregation. The simulations also presents the

  14. Cellular automaton modelling of ductile iron microstructure in the thin wall casting

    International Nuclear Information System (INIS)

    Burbelko, A A; Gurgul, D; Kapturkiewicz, W; Górny, M

    2012-01-01

    The mathematical model of the globular eutectic solidification in 2D was designed. Proposed model is based on the Cellular Automaton Finite Differences (CA-FD) calculation method. Model has been used for studies of the primary austenite and of globular eutectic grains growth during the ductile iron solidification in the thin wall casting. Model takes into account, among other things, non-uniform temperature distribution in the casting wall cross-section, kinetics of the austenite and graphite grains nucleation, and non-equilibrium nature of the interphase boundary migration.

  15. A mesoscale granular model for the mechanical behavior of alloys during solidification

    Energy Technology Data Exchange (ETDEWEB)

    Vernede, Stephane [Computational Materials Laboratory, Ecole Polytechnique Federale de Lausanne, Station 12, Lausanne CH-1015 (Switzerland); Alcan Centre de Recherches de Voreppe, ZI Centr' Alp, 725 rue Aristide Berges, BP 27, Voreppe FR-38341 (France)], E-mail: stephane.vernede@alcan.com; Dantzig, Jonathan A. [Computational Materials Laboratory, Ecole Polytechnique Federale de Lausanne, Station 12, Lausanne CH-1015 (Switzerland); Department of Mechanical Science and Engineering, University of Illinois, 1206 West Green Street Urbana, IL 61801 (United States); Rappaz, Michel [Computational Materials Laboratory, Ecole Polytechnique Federale de Lausanne, Station 12, Lausanne CH-1015 (Switzerland)

    2009-03-15

    We present a two-dimensional granular model for the mechanical behavior of an ensemble of globular grains during solidification. The grain structure is produced by a Voronoi tessellation based on an array of predefined nuclei. We consider the fluid flow caused by grain movement and solidification shrinkage in the network of channels that is formed by the faces of the grains in the tessellation. We develop the governing equations for the flow rate and pressure drop across each channel when the grains are allowed to move, and we then assemble the equations into a global expression that conserves mass and force in the system. We show that the formulation is consistent with dissipative formulations of non-equilibrium thermodynamics. Several example problems are presented to illustrate the effect of tensile strains and the availability of liquid to feed the deforming microstructure. For solid fractions below g{sub s}=0.97, we find that the fluid is able to feed the deformation at low strain, even if external feeding is not permitted. For solid fractions above g{sub s}=0.97, clusters of grains with 'dry' boundaries form and fluid flow becomes highly localized.

  16. Three-dimensional phase-field simulations of directional solidification

    Science.gov (United States)

    Plapp, Mathis

    2007-05-01

    The phase-field method has become the method of choice for simulating microstructural pattern formation during solidification. One of its main advantages is that time-dependent three-dimensional simulations become feasible, which makes it possible to address long-standing questions of pattern stability and pattern selection. Here, a brief introduction to the phase-field model and its implementation is given, and its capabilities are illustrated by examples taken from the directional solidification of binary alloys. In particular, the morphological stability of hexagonal cellular arrays and of eutectic lamellar patterns is investigated.

  17. Variations of Microsegregation and Second Phase Fraction of Binary Mg-Al Alloys with Solidification Parameters

    Science.gov (United States)

    Paliwal, Manas; Kang, Dae Hoon; Essadiqi, Elhachmi; Jung, In-Ho

    2014-07-01

    A systematic experimental investigation on microsegregation and second phase fraction of Mg-Al binary alloys (3, 6, and 9 wt pct Al) has been carried out over a wide range of cooling rates (0.05 to 700 K/s) by employing various casting techniques. In order to explain the experimental results, a solidification model that takes into account dendrite tip undercooling, eutectic undercooling, solute back diffusion, and secondary dendrite arm coarsening was also developed in dynamic linkage with an accurate thermodynamic database. From the experimental data and solidification model, it was found that the second phase fraction in the solidified microstructure is not determined only by cooling rate but varied independently with thermal gradient and solidification velocity. Lastly, the second phase fraction maps for Mg-Al alloys were calculated from the solidification model.

  18. Radioactive waste solidification material

    International Nuclear Information System (INIS)

    Nishihara, Yukio; Wakuta, Kuniharu; Ishizaki, Kanjiro; Koyanagi, Naoaki; Sakamoto, Hiroyuki; Uchida, Ikuo.

    1992-01-01

    The present invention concerns a radioactive waste solidification material containing vermiculite cement used for a vacuum packing type waste processing device, which contains no residue of calcium hydroxide in cement solidification products. No residue of calcium hydroxide means, for example, that peak of Ca(OH) 2 is not recognized in an X ray diffraction device. With such procedures, since calcium sulfoaluminate clinker and Portland cement themselves exhibit water hardening property, and slugs exhibit hydration activity from the early stage, the cement exhibits quick-hardening property, has great extension of long term strength, further, has no shrinking property, less dry- shrinkage, excellent durability, less causing damages such as cracks and peeling as processing products of radioactive wastes, enabling to attain highly safe solidification product. (T.M.)

  19. Method of plastic solidification of radioactive wastes

    International Nuclear Information System (INIS)

    Oikawa, Yasuo; Tokimitsu, Fujio.

    1986-01-01

    Purpose: To prevent occurrence of deleterious cracks to the inside and the surface of solidification products, as well as eliminate gaps between the products and the vessel inner wall upon plastic solidification processing for powdery or granular radioactive wastes. Method: An appropriate amount of thermoplastic resins such as styrenic polymer or vinyl acetate type polymer as a low shrinking agent is added and mixed with unsaturated polyester resins to be mixed with radioactive wastes so as to reduce the shrinkage-ratio to 0 % upon curing reaction. Thus, a great shrinkage upon hardening the mixture is suppressed to prevent the occurrence of cracks to the surface and the inside of the solidification products, as well as prevent the gaps between the inner walls of a drum can vessel and the products upon forming solidification products to the inside of the drum can. The resultant solidification products have a large compression strength and can sufficiently satisfy the evaluation standards as the plastic solidification products of radioactive wastes. (Horiuchi, T.)

  20. Kinetic modelling of enzymatic starch hydrolysis

    NARCIS (Netherlands)

    Bednarska, K.A.

    2015-01-01

    Kinetic modelling of enzymatic starch hydrolysis – a summary

    K.A. Bednarska

    The dissertation entitled ‘Kinetic modelling of enzymatic starch hydrolysis’ describes the enzymatic hydrolysis and kinetic modelling of liquefaction and saccharification of wheat starch.

  1. Method of storing solidification products

    International Nuclear Information System (INIS)

    Tani, Yutaro.

    1985-01-01

    Purpose: To enable to efficiently and satisfactorily cool and store solidification products of liquid wastes generated from the reactor spent fuel reprocessing process by a simple facility. Method: Liquid wastes generated from the reactor spent fuel reprocessing process are caused to flow from the upper opening to the inside of a spherical canistor. The opening of the spherical canistor is welded with a lid by a remote control and the liquid wastes are tightly sealed within the spherical canistor as glass solidification products. Spherical canistors having the solidification products tightly sealed therein are sent into and stored in a hopper by the remote control. Further, a blower is driven upon storing to suck cooling air from the cooling air intake port to the inside of the hopper to absorb the decay heat of radioactive materials in the solidification products and the air is discharged from the duct and through the stack to the atmosphere. (Kawakami, Y.)

  2. Micro-scale thermocapillary convection with solidification

    International Nuclear Information System (INIS)

    Yang, W.J.; Liu, J.C.; Chai, A.T.

    1991-01-01

    This paper reports on an experimental study performed on heat transfer in sessile drops of lysozyme solutions with solidification. Solidification inside the sessile drop is initiated by means of the center cooling method. The internal flow behavior and solidification front movement are observed using a microscope-video monitor system. Results are obtained for lysozyme, and buffer solutions, and water, representing media possessing surface tension coefficients. It is disclosed that the time history of the solidification front movement can be divided into two stages; initial and stable. In the stable stage, the front movement x follows the power-law behavior x = Ct n . C is an empirical constant, and t denotes time. The exponent n takes on a value close to unity in the stable stage

  3. Method of processing solidification product of radioactive waste

    International Nuclear Information System (INIS)

    Daime, Fumiyoshi.

    1988-01-01

    Purpose: To improve the long-time stability of solidification products by providing solidification products with liquid tightness, gas tightness, abrasion resistance, etc., of the products in the course of the solidification for the treatment of radioactive wastes. Method: The surface of solidification products prepared by mixing solidifying agents with powder or pellets is entirely covered with high molecular polymer such as epoxy resin. The epoxy resin has excellent properties such as radiation-resistance, heat resistance, water proofness and chemical resistance, as well as have satisfactory mechanical properties. This can completely isolate the solidification products of radioactive wastes from the surrounding atmosphere. (Yoshino, Y.)

  4. Solidification process for toxic and hazardous wastes. Second part: Cement solidification matrices

    International Nuclear Information System (INIS)

    Donato, A.; Arcuri, L.; Dotti, M.; Pace, A.; Pietrelli, L.; Ricci, G.; Basta, M.; Cali, V.; Pagliai, V.

    1989-05-01

    This paper reports the second part of a general study carried out at the Nuclear Fuel Division aiming at verifying the possible application of the radioactive waste solidification processes to industrial hazardous wastes (RTN). The cement solidification of several RTN types has been taken into consideration, both from the technical and from the economic point of view. After a short examination of the Italian juridical and economical situation in the field, which demonstrates the need of the RTN solidification, the origin and characteristics of the RTN considered in the study and directly provided by the producing industries are reviewed. The laboratory experimental results of the cementation of RTN produced by gold manufacturing industries and by galvanic industries are reported. The cementation process can be considered a very effective mean for reducing both the RTN management costs and the environmental impact of RTN disposal. (author)

  5. Solute redistribution in dendritic solidification with diffusion in the solid

    Science.gov (United States)

    Ganesan, S.; Poirier, D. R.

    1989-01-01

    An investigation of solute redistribution during dendritic solidification with diffusion in the solid has been performed using numerical techniques. The extent of diffusion is characterized by the instantaneous and average diffusion parameters. These parameters are functions of the diffusion Fourier number, the partition ratio and the fraction solid. Numerical results are presented as an approximate model, which is used to predict the average diffusion parameter and calculate the composition of the interdendritic liquid during solidification.

  6. Solidification and vitrification life-cycle economics study

    International Nuclear Information System (INIS)

    Gimpel, R.F.

    1992-01-01

    Solidification (making concrete) and vitrification (making glass) are frequently the treatment methods recommended for treating inorganic or radioactive wastes. Ex-situ solidification and vitrification are the competing methods for treating in excess of 450 000 cm 3 of low-level radioactive and mixed wastes at the Fernald Environmental Management Project (FEMP) located near Cincinnati, Ohio. This paper summarizes a detailed study done to: (1) compare the economics of the solidification and vitrification processes, (2) determine if the stigma assigned to vitrification is warranted and, (3) determine if investing millions of dollars into vitrification development, along with solidification development, at Fernald is warranted

  7. Crystallization Kinetics within a Generic Modelling Framework

    DEFF Research Database (Denmark)

    Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist

    2013-01-01

    An existing generic modelling framework has been expanded with tools for kinetic model analysis. The analysis of kinetics is carried out within the framework where kinetic constitutive models are collected, analysed and utilized for the simulation of crystallization operations. A modelling...... procedure is proposed to gain the information of crystallization operation kinetic model analysis and utilize this for faster evaluation of crystallization operations....

  8. Heat transfer and solidification processes of alloy melt with undercooling: I. Experimental results

    International Nuclear Information System (INIS)

    Yoshioka, Hideaki; Tada, Yukio; Kunimine, Kanji; Furuichi, Taira; Hayashi, Yujiro

    2006-01-01

    The solidification process of Pb-Sn and Bi-Sn alloy melts is discussed to obtain a basic understanding of the essential phenomena of solidification with undercooling. First, from macroscopic observations, it is shown that the solidification process consists of the following three stages: (1) free growth with recalescence dissipation of thermal undercooling (2) expansion of crystals with the relaxation of constitutional undercooling or with the recovering process of interrupted quasi-steady heat conduction, and (3) equilibrium solidification. The specific features of free growth under non-uniform undercooling are also shown by comparison with the Lipton, Glicksman, and Kurz model. Next, from microscopic observations, the distribution of the solute concentration and the change of crystal morphology in the solidified materials were investigated quantitatively using scanning electron microscopy and energy-dispersive spectroscopy. Finally, the solidification path during the above three fundamental processes is dynamically represented on phase diagrams

  9. Numerical Simulation on the Origin of Solidification Cracking in Laser Welded Thick-Walled Structures

    Directory of Open Access Journals (Sweden)

    Nasim Bakir

    2018-06-01

    Full Text Available One of the main factors affecting the use of lasers in the industry for welding thick structures is the process accompanying solidification cracks. These cracks mostly occurring along the welding direction in the welding center, and strongly affect the safety of the welded components. In the present study, to obtain a better understanding of the relation between the weld pool geometry, the stress distribution and the solidification cracking, a three-dimensional computational fluid dynamic (CFD model was combined with a thermo-mechanical model. The CFD model was employed to analyze the flow of the molten metal in the weld pool during the laser beam welding process. The weld pool geometry estimated from the CFD model was used as a heat source in the thermal model to calculate the temperature field and the stress development and distributions. The CFD results showed a bulging region in the middle depth of the weld and two narrowing areas separating the bulging region from the top and bottom surface. The thermo-mechanical simulations showed a concentration of tension stresses, transversally and vertically, directly after the solidification during cooling in the region of the solidification cracking.

  10. Microstructural Development in Al-Si Powder During Rapid Solidification

    Energy Technology Data Exchange (ETDEWEB)

    Genau, Amber Lynn [Iowa State Univ., Ames, IA (United States)

    2004-01-01

    Powder metallurgy has become an increasingly important form of metal processing because of its ability to produce materials with superior mechanical properties. These properties are due in part to the unique and often desirable microstructures which arise as a result of the extreme levels of undercooling achieved, especially in the finest size powder, and the subsequent rapid solidification which occurs. A better understanding of the fundamental processes of nucleation and growth is required to further exploit the potential of rapid solidification processing. Aluminum-silicon, an alloy of significant industrial importance, was chosen as a model for simple eutectic systems displaying an unfaceted/faceted interface and skewed coupled eutectic growth zone, Al-Si powder produced by high pressure gas atomization was studied to determine the relationship between microstructure and alloy composition as a function of powder size and atomization gas. Critical experimental measurements of hypereutectic (Si-rich) compositions were used to determine undercooling and interface velocity, based on the theoretical models which are available. Solidification conditions were analyzed as a function of particle diameter and distance from nucleation site. A revised microstructural map is proposed which allows the prediction of particle morphology based on temperature and composition. It is hoped that this work, by providing enhanced understanding of the processes which govern the development of the solidification morphology of gas atomized powder, will eventually allow for better control of processing conditions so that particle microstructures can be optimized for specific applications.

  11. Phase-field modeling of microstructural pattern formation during directional solidification of peritectic alloys without morphological instability

    International Nuclear Information System (INIS)

    Shing Lo, Tak; Karma, Alain; Plapp, Mathis

    2001-01-01

    During the directional solidification of peritectic alloys, two stable solid phases (parent and peritectic) grow competitively into a metastable liquid phase of larger impurity content than either solid phase. When the parent or both solid phases are morphologically unstable, i.e., for a small temperature gradient/growth rate ratio (G/v p ), one solid phase usually outgrows and covers the other phase, leading to a cellular-dendritic array structure closely analogous to the one formed during monophase solidification of a dilute binary alloy. In contrast, when G/v p is large enough for both phases to be morphologically stable, the formation of the microstructure becomes controlled by a subtle interplay between the nucleation and growth of the two solid phases. The structures that have been observed in this regime (in small samples where convection effects are suppressed) include alternate layers (bands) of the parent and peritectic phases perpendicular to the growth direction, which are formed by alternate nucleation and lateral spreading of one phase onto the other as proposed in a recent model [R. Trivedi, Metall. Mater. Trans. A 26, 1 (1995)], as well as partially filled bands (islands), where the peritectic phase does not fully cover the parent phase which grows continuously. We develop a phase-field model of peritectic solidification that incorporates nucleation processes in order to explore the formation of these structures. Simulations of this model shed light on the morphology transition from islands to bands, the dynamics of spreading of the peritectic phase on the parent phase following nucleation, which turns out to be characterized by a remarkably constant acceleration, and the types of growth morphology that one might expect to observe in large samples under purely diffusive growth conditions

  12. Phase-Field Modeling of Polycrystalline Solidification: From Needle Crystals to Spherulites—A Review

    Science.gov (United States)

    Gránásy, László; Rátkai, László; Szállás, Attila; Korbuly, Bálint; Tóth, Gyula I.; Környei, László; Pusztai, Tamás

    2014-04-01

    Advances in the orientation-field-based phase-field (PF) models made in the past are reviewed. The models applied incorporate homogeneous and heterogeneous nucleation of growth centers and several mechanisms to form new grains at the perimeter of growing crystals, a phenomenon termed growth front nucleation. Examples for PF modeling of such complex polycrystalline structures are shown as impinging symmetric dendrites, polycrystalline growth forms (ranging from disordered dendrites to spherulitic patterns), and various eutectic structures, including spiraling two-phase dendrites. Simulations exploring possible control of solidification patterns in thin films via external fields, confined geometry, particle additives, scratching/piercing the films, etc. are also displayed. Advantages, problems, and possible solutions associated with quantitative PF simulations are discussed briefly.

  13. Solidification and vitrification life-cycle economics study

    International Nuclear Information System (INIS)

    Gimpel, R.F.

    1992-01-01

    Solidification (making concrete) and vitrification (making glass) are frequently the treatment methods recommended for treating inorganic or radioactive wastes. Solidification is generally perceived as the most economical treatment method, whereas vitrification is considered (by many) as the most effective of all treatment methods. Unfortunately, vitrification has acquired the stigma that it is too expensive to receive further consideration as an alternative to solidification in high volume treatment applications. Ex situ solidification and vitrification are the competing methods for treating in excess of 450,000 m 3 of low-level radioactive and mixed waste at the Fernald Environmental Management Project (FEMP or simply, Fernald) located near Cincinnati, Ohio. This paper s a detailed study done to: compare the economics of the solidification and vitrification processes; determine if the stigma assigned to vitrification is warranted; determine if investing millions of dollars into vitrification development, along with solidification development, at Fernald is warranted. Common parameters were determined and detailed life-cycle cost estimates were made. Incorporating the unit costs into a computer spreadsheet allowed 'what if' scenarios to be performed. Some scenarios investigated included variation of: remediation times, amount of wastes treated, treatment efficiencies, electrical and material costs and escalation

  14. Solidification process for sludge residue

    International Nuclear Information System (INIS)

    Pearce, K.L.

    1998-01-01

    This report investigates the solidification process used at 100-N Basin to solidify the N Basin sediment and assesses the N Basin process for application to the K Basin sludge residue material. This report also includes a discussion of a solidification process for stabilizing filters. The solidified matrix must be compatible with the Environmental Remediation Disposal Facility acceptance criteria

  15. Crystallization Kinetics within a Generic Modeling Framework

    DEFF Research Database (Denmark)

    Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist V.

    2014-01-01

    of employing a well-structured model library for storage, use/reuse, and analysis of the kinetic models are highlighted. Examples illustrating the application of the modeling framework for kinetic model discrimination related to simulation of specific crystallization scenarios and for kinetic model parameter......A new and extended version of a generic modeling framework for analysis and design of crystallization operations is presented. The new features of this framework are described, with focus on development, implementation, identification, and analysis of crystallization kinetic models. Issues related...... to the modeling of various kinetic phenomena like nucleation, growth, agglomeration, and breakage are discussed in terms of model forms, model parameters, their availability and/or estimation, and their selection and application for specific crystallization operational scenarios under study. The advantages...

  16. The melting and solidification of nanowires

    International Nuclear Information System (INIS)

    Florio, B. J.; Myers, T. G.

    2016-01-01

    A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

  17. The melting and solidification of nanowires

    Science.gov (United States)

    Florio, B. J.; Myers, T. G.

    2016-06-01

    A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

  18. The melting and solidification of nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Florio, B. J., E-mail: brendan.florio@ul.ie [University of Limerick, Mathematics Applications Consortium for Science and Industry (MACSI), Department of Mathematics and Statistics (Ireland); Myers, T. G., E-mail: tmyers@crm.cat [Centre de Recerca Matemàtica (Spain)

    2016-06-15

    A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

  19. Diffusion-stress coupling in liquid phase during rapid solidification of binary mixtures

    International Nuclear Information System (INIS)

    Sobolev, S.L.

    2014-01-01

    An analytical model has been developed to describe the diffusion-viscous stress coupling in the liquid phase during rapid solidification of binary mixtures. The model starts with a set of evolution equations for diffusion flux and viscous pressure tensor, based on extended irreversible thermodynamics. It has been demonstrated that the diffusion-stress coupling leads to non-Fickian diffusion effects in the liquid phase. With only diffusive dynamics, the model results in the nonlocal diffusion equations of parabolic type, which imply the transition to complete solute trapping only asymptotically at an infinite interface velocity. With the wavelike dynamics, the model leads to the nonlocal diffusion equations of hyperbolic type and describes the transition to complete solute trapping and diffusionless solidification at a finite interface velocity in accordance with experimental data and molecular dynamic simulation. -- Highlights: •We propose the diffusion-stress coupling model for binary solidification. •The coupling arises at deep undercooling. •With diffusive dynamics, the models result in parabolic transfer equations. •With the wavelike dynamics, the models lead to hyperbolic transfer equations. •The coupling strongly affects the solute partition coefficient

  20. ''New ' technology of solidification of liquid radioactive waste'

    International Nuclear Information System (INIS)

    Sytyl, V.A.; Svistova, L.M.; Spiridonova, V.P.

    1998-01-01

    It is generally accepted that the best method of processing of radioactive waste is its solidification and then storage. At present time, three methods of solidification of radioactive waste are widely used in the world: cementation, bituminous grouting and vitrification. But they do not solve the problem of ecologically processing of waste because of different disadvantages. General disadvantages are: low state of filling, difficulties in solidification of the crystalline hydrated forms of radioactive waste; particular sphere of application and economical difficulties while processing the great volume of waste. In connection with it the urgent necessity is emerging: to develop less expensive and ecologically more reliable technology of solidification of radioactive waste. A new method of solidification is presented with its technical schema. (N.C.)

  1. Numerical Model for Solidification Zones Selection in the Large Ingots

    Directory of Open Access Journals (Sweden)

    Wołczyński W.

    2015-12-01

    Full Text Available A vertical cut at the mid-depth of the 15-ton forging steel ingot has been performed by curtesy of the CELSA - Huta Ostrowiec plant. Some metallographic studies were able to reveal not only the chilled undersized grains under the ingot surface but columnar grains and large equiaxed grains as well. Additionally, the structural zone within which the competition between columnar and equiaxed structure formation was confirmed by metallography study, was also revealed. Therefore, it seemed justified to reproduce some of the observed structural zones by means of numerical calculation of the temperature field. The formation of the chilled grains zone is the result of unconstrained rapid solidification and was not subject of simulation. Contrary to the equiaxed structure formation, the columnar structure or columnar branched structure formation occurs under steep thermal gradient. Thus, the performed simulation is able to separate both discussed structural zones and indicate their localization along the ingot radius as well as their appearance in term of solidification time.

  2. Method of reprocessing radioactive asphalt solidification products

    International Nuclear Information System (INIS)

    Nakaya, Iwao; Murakami, Tadashi; Miyake, Takafumi; Inagaki, Yuzo.

    1986-01-01

    Purpose: To obtain heat-stable solidification products and decrease the total volume thereof by modifying the solidified form by the reprocessing of existent radioactive asphalt solidification products. Method: Radioactive asphalt solidification products are heated into a fluidized state. Then, incombustible solvents such as perchloroethylene or trichloroethylene are added to a dissolving tank to gradually dissolve the radioactive asphalt solidification products. Thus, organic materials such as asphalts are transferred into the solvent layer, while inorganic materials containing radioactive materials remain as they are in the separation tank. Then, the inorganic materials containing the radioactive materials are taken out and then solidified, for example, by converting them into a rock or glass form. (Kawakami, Y.)

  3. Solidification of Hypereutectic Thin Wall Ductile Cast Iron

    DEFF Research Database (Denmark)

    Pedersen, Karl Martin; Tiedje, Niels Skat

    2006-01-01

    solidification. The first stage, which was relatively short, had none or very little recalescence. Further under cooling, followed by reheating during recalescence, was necessary to initiate the second part of the eutectic solidification. Both the secondary under cooling and recalescence was larger in the 3 mm...... a higher Si content in the ferrite around the larger nodules compared to the ferrite around the rest of the nodules. This indicates that solidification took place along the following path: The solidification starts with nucleation and growth of primary graphite nodules. This probably starts during...

  4. Oxidative desulfurization: kinetic modelling.

    Science.gov (United States)

    Dhir, S; Uppaluri, R; Purkait, M K

    2009-01-30

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H(2)O(2) over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel.

  5. Oxidative desulfurization: Kinetic modelling

    International Nuclear Information System (INIS)

    Dhir, S.; Uppaluri, R.; Purkait, M.K.

    2009-01-01

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H 2 O 2 over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel

  6. Bridging the gap between molecular dynamics simulations and phase-field modelling: dynamics of a [NixZr1-x]liquid-Zrcrystal solidification front

    International Nuclear Information System (INIS)

    Danilov, Denis; Nestler, Britta; Guerdane, Mohammed; Teichler, Helmar

    2009-01-01

    Results are presented from phase-field modelling and molecular dynamics simulations concerning the relaxation dynamics in a finite-temperature two-phase crystal-liquid sample subjected to an abrupt temperature drop. Relaxation takes place by propagation of the solidification front under formation of a spatially varying concentration profile in the melt. The molecular dynamics simulations are carried out with an interatomic model appropriate for the NiZr alloy system and provide the thermophysical data required for setting up the phase-field simulations. Regarding the concentration profile and velocity of the solidification front, best agreement between the phase-field model and molecular dynamics simulation is obtained when increasing the apparent diffusion coefficients in the phase-field treatment by a factor of four against their molecular dynamics estimates.

  7. Low level waste solidification practice in Japan

    International Nuclear Information System (INIS)

    Sakata, S.; Kuribayashi, H.; Kono, Y.

    1981-01-01

    Both sea dumping and land isolation are planned to be accomplished for low level waste disposal in Japan. The conceptual design of land isolation facilities has been completed, and site selection will presently get underway. With respect to ocean dumping, safety surveys are being performed along the lines of the London Dumping Convention and the Revised Definitions and Recommendations of the IAEA, and the review of Japanese regulations and applicable criteria is being expedited. This paper discusses the present approach to waste solidification practices in Japan. It reports that the bitumen solidification process and the plastic solidification process are being increasingly used in Japan. Despite higher investment costs, both processes have advantages in operating cost, and are comparable to the cement solidification process in overall costs

  8. Kinetics of heterogeneous nucleation on intrinsic nucleants in pure fcc transition metals

    International Nuclear Information System (INIS)

    Wilde, G; Bokeloh, J; Santhaweesuk, C; Perepezko, J H; Sebright, J L

    2009-01-01

    Nucleation during solidification is heterogeneous in nature in an overwhelmingly large fraction of all solidification events. Yet, most often the identity of the heterogeneous nucleants that initiate nucleation remains a matter of speculation. In fact, a series of dedicated experiments needs to be designed in order to verify if nucleation of the material under study is based on one type of heterogeneous nucleant and if the potency of that nucleant is constant, e.g. for a population of individual droplets, or stays constant over time, e.g. throughout repeated melting/solidification cycles. In this work it is demonstrated that one way to circumvent ambiguities and analyze nucleation kinetics under well-defined conditions experimentally is given by performing statistically significant numbers of repeated single-droplet experiments. The application of proper statistics analyses based upon a non-homogeneous Poisson process is shown to yield nucleation rates that are independent of a specific nucleation model. Based upon this approach nucleation undercooling measurements on pure Au, Cu and Ni as model materials have confirmed that the experimental strategy and analysis method are valid. The results are comparable to those obtained by classical nucleation theory applied to experimental data that has been verified to comply with the assertions that are necessary for applying this model framework. However, the results reveal also other complex nucleant-sample interactions such as an initial transient undercooling behavior and impurity removal during repeated cycling treatments. The transient undercooling behavior has been analyzed by a nucleant refining model to provide new insight on the operation of melt fluxing treatments.

  9. Relationships Between Solidification Parameters in A319 Aluminum Alloy

    Science.gov (United States)

    Vandersluis, E.; Ravindran, C.

    2018-03-01

    The design of high-performance materials depends on a comprehensive understanding of the alloy-specific relationships between solidification and properties. However, the inconsistent use of a particular solidification parameter for presenting materials characterization in the literature impedes inter-study comparability and the interpretation of findings. Therefore, there is a need for accurate expressions relating the solidification parameters for each alloy. In this study, A319 aluminum alloy castings were produced in a permanent mold with various preheating temperatures in order to control metal cooling. Analysis of the cooling curve for each casting enabled the identification of its liquidus, Al-Si eutectic, and solidus temperatures and times. These values led to the calculation of the primary solidification rate, total solidification rate, primary solidification time, and local solidification time for each casting, which were related to each other as well as to the average casting SDAS and material hardness. Expressions for each of their correlations have been presented with high coefficients of determination, which will aid in microstructural prediction and casting design.

  10. Solidification processing of monotectic alloy matrix composites

    Science.gov (United States)

    Frier, Nancy L.; Shiohara, Yuh; Russell, Kenneth C.

    1989-01-01

    Directionally solidified aluminum-indium alloys of the monotectic composition were found to form an in situ rod composite which obeys a lambda exp 2 R = constant relation. The experimental data shows good agreement with previously reported results. A theoretical boundary between cellular and dendritic growth conditions was derived and compared with experiments. The unique wetting characteristics of the monotectic alloys can be utilized to tailor the interface structure in metal matrix composites. Metal matrix composites with monotectic and hypermonotectic Al-In matrices were made by pressure infiltration, remelted and directionally solidified to observe the wetting characteristics of the alloys as well as the effect on structure of solidification in the constrained field of the fiber interstices. Models for monotectic growth are modified to take into account solidification in these constrained fields.

  11. Modeling in applied sciences a kinetic theory approach

    CERN Document Server

    Pulvirenti, Mario

    2000-01-01

    Modeling complex biological, chemical, and physical systems, in the context of spatially heterogeneous mediums, is a challenging task for scientists and engineers using traditional methods of analysis Modeling in Applied Sciences is a comprehensive survey of modeling large systems using kinetic equations, and in particular the Boltzmann equation and its generalizations An interdisciplinary group of leading authorities carefully develop the foundations of kinetic models and discuss the connections and interactions between model theories, qualitative and computational analysis and real-world applications This book provides a thoroughly accessible and lucid overview of the different aspects, models, computations, and methodology for the kinetic-theory modeling process Topics and Features * Integrated modeling perspective utilized in all chapters * Fluid dynamics of reacting gases * Self-contained introduction to kinetic models * Becker–Doring equations * Nonlinear kinetic models with chemical reactions * Kinet...

  12. Kinetics and hybrid kinetic-fluid models for nonequilibrium gas and plasmas

    International Nuclear Information System (INIS)

    Crouseilles, N.

    2004-12-01

    For a few decades, the application of the physics of plasmas has appeared in different fields like laser-matter interaction, astrophysics or thermonuclear fusion. In this thesis, we are interested in the modeling and the numerical study of nonequilibrium gas and plasmas. To describe such systems, two ways are usually used: the fluid description and the kinetic description. When we study a nonequilibrium system, fluid models are not sufficient and a kinetic description have to be used. However, solving a kinetic model requires the discretization of a large number of variables, which is quite expensive from a numerical point of view. The aim of this work is to propose a hybrid kinetic-fluid model thanks to a domain decomposition method in the velocity space. The derivation of the hybrid model is done in two different contexts: the rarefied gas context and the more complicated plasmas context. The derivation partly relies on Levermore's entropy minimization approach. The so-obtained model is then discretized and validated on various numerical test cases. In a second stage, a numerical study of a fully kinetic model is presented. A collisional plasma constituted of electrons and ions is considered through the Vlasov-Poisson-Fokker-Planck-Landau equation. Then, a numerical scheme which preserves total mass and total energy is presented. This discretization permits in particular a numerical study of the Landau damping. (author)

  13. Interaction of Multiple Particles with a Solidification Front: From Compacted Particle Layer to Particle Trapping.

    Science.gov (United States)

    Saint-Michel, Brice; Georgelin, Marc; Deville, Sylvain; Pocheau, Alain

    2017-06-13

    The interaction of solidification fronts with objects such as particles, droplets, cells, or bubbles is a phenomenon with many natural and technological occurrences. For an object facing the front, it may yield various fates, from trapping to rejection, with large implications regarding the solidification pattern. However, whereas most situations involve multiple particles interacting with each other and the front, attention has focused almost exclusively on the interaction of a single, isolated object with the front. Here we address experimentally the interaction of multiple particles with a solidification front by performing solidification experiments of a monodisperse particle suspension in a Hele-Shaw cell with precise control of growth conditions and real-time visualization. We evidence the growth of a particle layer ahead of the front at a close-packing volume fraction, and we document its steady-state value at various solidification velocities. We then extend single-particle models to the situation of multiple particles by taking into account the additional force induced on an entering particle by viscous friction in the compacted particle layer. By a force balance model this provides an indirect measure of the repelling mean thermomolecular pressure over a particle entering the front. The presence of multiple particles is found to increase it following a reduction of the thickness of the thin liquid film that separates particles and front. We anticipate the findings reported here to provide a relevant basis to understand many complex solidification situations in geophysics, engineering, biology, or food engineering, where multiple objects interact with the front and control the resulting solidification patterns.

  14. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    Energy Technology Data Exchange (ETDEWEB)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations.

  15. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    International Nuclear Information System (INIS)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations

  16. Thermosolutal convection during dendritic solidification

    Science.gov (United States)

    Heinrich, J. C.; Nandapurkar, P.; Poirier, D. R.; Felicelli, S.

    1989-01-01

    This paper presents a mathematical model for directional solidification of a binary alloy including a dendritic region underlying an all-liquid region. It is assumed initially that there exists a nonconvecting state with planar isotherms and isoconcentrates solidifying at a constant velocity. The stability of this system has been analyzed and nonlinear calculations are performed that show the effect of convection in the solidification process when the system is unstable. Results of calculations for various cases defined by the initial temperature gradient at the dendrite tips and varying strength of the gravitational field are presented for systems involving lead-tin alloys. The results show that the systems are stable for a gravitational constant of 0.0001 g(0) and that convection can be suppressed by appropriate choice of the container's size for higher values of the gravitational constant. It is also concluded that for the lead-tin systems considered, convection in the mushy zone is not significant below the upper 20 percent of the dendritic zone, if al all.

  17. Phase-field modelling of microstructure formation during the solidification of continuously cast low carbon and HSLA steels

    Science.gov (United States)

    Böttger, B.; Apel, M.; Santillana, B.; Eskin, D. G.

    2012-07-01

    Cracking in continuous casting of steels has been one of the main problems for decades. Many of the cracks that occur during solidification are hot tears. To better understand the factors leading to this defect, microstructure formation is simulated for a low carbon (LCAK) and two high strength low alloyed (HSLA) steel grades during the initial stage of the process where the first solidified shell is formed inside the mould and where breakouts typically occur. 2D simulation is performed using the multiphase-field software MICRESS [1], which is coupled to the thermodynamic database TCFE6 [2] and the mobility database MOB2 [2], taking into account all elements which may have a relevant effect on the mechanical properties and structure formation during or subsequent to solidification. The use of a moving-frame boundary condition allows travelling through the entire solidification history starting from the slab surface, and tracking the morphology changes during growth of the shell. A heterogeneous nucleation model is included to permit the description of morphological transitions between the initial solidification and the subsequent columnar growth region. Furthermore, a macroscopic one-dimensional temperature solver is integrated to account for the transient and nonlinear temperature field during the initial stage of continuous casting. The external heat flux boundary conditions for this process were derived from thermal process data of the industrial slab caster. The simulation results for the three steel grades have been validated by thickness measurements of breakout shells and microstructure observation of the corresponding grades. Furthermore, the primary dendrite spacing has been measured across the whole thickness of the shell and compared with the simulated microstructures. Significant microstructure differences between the steel grades are discussed and correlated with their hot-cracking behavior.

  18. Phase-field modelling of microstructure formation during the solidification of continuously cast low carbon and HSLA steels

    International Nuclear Information System (INIS)

    Böttger, B; Apel, M; Santillana, B; Eskin, D G

    2012-01-01

    Cracking in continuous casting of steels has been one of the main problems for decades. Many of the cracks that occur during solidification are hot tears. To better understand the factors leading to this defect, microstructure formation is simulated for a low carbon (LCAK) and two high strength low alloyed (HSLA) steel grades during the initial stage of the process where the first solidified shell is formed inside the mould and where breakouts typically occur. 2D simulation is performed using the multiphase-field software MICRESS, which is coupled to the thermodynamic database TCFE6 and the mobility database MOB2, taking into account all elements which may have a relevant effect on the mechanical properties and structure formation during or subsequent to solidification. The use of a moving-frame boundary condition allows travelling through the entire solidification history starting from the slab surface, and tracking the morphology changes during growth of the shell. A heterogeneous nucleation model is included to permit the description of morphological transitions between the initial solidification and the subsequent columnar growth region. Furthermore, a macroscopic one-dimensional temperature solver is integrated to account for the transient and nonlinear temperature field during the initial stage of continuous casting. The external heat flux boundary conditions for this process were derived from thermal process data of the industrial slab caster. The simulation results for the three steel grades have been validated by thickness measurements of breakout shells and microstructure observation of the corresponding grades. Furthermore, the primary dendrite spacing has been measured across the whole thickness of the shell and compared with the simulated microstructures. Significant microstructure differences between the steel grades are discussed and correlated with their hot-cracking behavior.

  19. Sufficient condition for generation of multiple solidification front in one-dimensional solidification of binary alloys

    International Nuclear Information System (INIS)

    Bobula, E.; Kalicka, Z.

    1981-10-01

    In the paper we consider the one-dimensional solidification of binary alloys in the finite system. The authors present the sufficient condition for solidification in the liquid in front of the moving solid-liquid interface. The effect may produce a fluctuating concentration distributin in the solid. The convection in the liquid and supercooling required for homogeneous nucleation are omitted. A local-equilibrium approximation at the liquid-solid interface is supposed. (author)

  20. Solidification Mapping of a Nickel Alloy 718 Laboratory VAR Ingot

    Science.gov (United States)

    Watt, Trevor J.; Taleff, Eric M.; Lopez, Felipe; Beaman, Joe; Williamson, Rodney

    The solidification microstructure of a laboratory-scale Nickel alloy 718 vacuum arc remelted (VAR) ingot was analyzed. The cylindrical, 210-mm-diameter ingot was sectioned along a plane bisecting it length-wise, and this mid-plane surface was ground and etched using Canada's reagent to reveal segregation contrast. Over 350 photographs were taken of the etched mid-plane surface and stitched together to form a single mosaic image. Image data in the resulting mosaic were processed using a variety of algorithms to extract quantities such as primary dendrite orientation, primary dendrite arm spacing (PDAS), and secondary dendrite arm spacing (SDAS) as a function of location. These quantities were used to calculate pool shape and solidification rate during solidification using existing empirical relationships for Nickel Alloy 718. The details and outcomes of this approach, along with the resulting comparison to experimental processing conditions and computational models, are presented.

  1. Solidification processing of high-Tc superconductors

    CERN Document Server

    Shiohara, Y; Nakamura, Y; Izumi, T

    2001-01-01

    Recent progress in the solidification processing of RE-system (RE:Y, Sm, Nd etc.) oxide superconducting materials is reviewed. The superconducting YBa/sub 2/Cu/sub 3/O/sub y/(Y123) phase is solidified from Y/sub 2/BaCuO/sub 5/(Y211) and liquid phases, by a peritectic reaction. The solidified micro and macro structure can not be explained by the peritectic reaction with diffusion in the solid but rather by diffusion in the liquid. A solidification model for this reaction is developed. It is confirmed that the prediction from the model calculation is in good agreement with the experimental results. Furthermore, the basic idea is expanded to develop a novel single crystal pulling process. Y211 powders were placed at the bottom of the crucible as the solute source for the growth and a BaO-CuO composite (Ba to Cu cation ratio was 3 to 5) was placed on the layer of Y211 powders. Temperature gradient was provided in the melt. Large bulk single crystals were obtained by this technique, and the growth mechanism was al...

  2. Simulation of Microstructure during Laser Rapid Forming Solidification Based on Cellular Automaton

    Directory of Open Access Journals (Sweden)

    Zhi-jian Wang

    2014-01-01

    Full Text Available The grain microstructure of molten pool during the solidification of TC4 titanium alloy in the single point laser cladding was investigated based on the CAFE model which is the cellular automaton (CA coupled with the finite element (FE method. The correct temperature field is the prerequisite for simulating the grain microstructure during the solidification of the molten pool. The model solves the energy equation by the FE method to simulate the temperature distribution in the molten pool of the single point laser cladding. Based on the temperature field, the solidification microstructure of the molten pool is also simulated with the CAFE method. The results show that the maximum temperature in the molten pool increases with the laser power and the scanning rate. The laser power has a larger influence on the temperature distribution of the molten pool than the scanning rate. During the solidification of the molten pool, the heat at the bottom of the molten pool transfers faster than that at the top of the molten pool. The grains rapidly grow into the molten pool, and then the columnar crystals are formed. This study has a very important significance for improving the quality of the structure parts manufactured through the laser cladding forming.

  3. Efficient estimation of diffusion during dendritic solidification

    Science.gov (United States)

    Yeum, K. S.; Poirier, D. R.; Laxmanan, V.

    1989-01-01

    A very efficient finite difference method has been developed to estimate the solute redistribution during solidification with diffusion in the solid. This method is validated by comparing the computed results with the results of an analytical solution derived by Kobayashi (1988) for the assumptions of a constant diffusion coefficient, a constant equilibrium partition ratio, and a parabolic rate of the advancement of the solid/liquid interface. The flexibility of the method is demonstrated by applying it to the dendritic solidification of a Pb-15 wt pct Sn alloy, for which the equilibrium partition ratio and diffusion coefficient vary substantially during solidification. The fraction eutectic at the end of solidification is also obtained by estimating the fraction solid, in greater resolution, where the concentration of solute in the interdendritic liquid reaches the eutectic composition of the alloy.

  4. Solidification microstructures of aluminium-uranium alloys

    International Nuclear Information System (INIS)

    Ambrozio Filho, F.; Vieira, R.R.

    1976-01-01

    The solidification of microstrutures of aluminium-uranium alloys in the range of 4 to 20% uranium is investigated. The solidification was obtained both in ingot molds and under controlled directional solidification. The conditions for the presence of primary crystals and eutectic are discussed and an analysis of the influence of variables (growth rate and thermal gradient in the liquid) on the alloy structure is made. The effect of cooling rate on the alloy structures has been determined. It is found that the resulting structure can be derived from the kinectics concept, as required by the coupled-zone theory. Suggestions on the qualitative intervals of composition and temperatures with eutectic growth are presented [pt

  5. Polymer solidification national program

    International Nuclear Information System (INIS)

    Kalb, P.D.; Colombo, P.

    1993-04-01

    Brookhaven National Laboratory (BNL) has developed several new and innovative polymer processes for the solidification of low-level radioactive, hazardous and mixed wastes streams. Polyethylene and modified sulfur cement solidification technologies have undergone steady, gradual development at BNL over the past nine years. During this time they have progressed through each of the stages necessary for logical technology maturation: from process conception, parameter optimization, waste form testing, evaluation of long-term durability, economic analysis, and scale-up feasibility. This technology development represents a significant investment which can potentially provide DOE with both short- and long-term savings

  6. Supercritical kinetic analysis in simplified system of fuel debris using integral kinetic model

    International Nuclear Information System (INIS)

    Tuya, Delgersaikhan; Obara, Toru

    2016-01-01

    Highlights: • Kinetic analysis in simplified weakly coupled fuel debris system was performed. • The integral kinetic model was used to simulate criticality accidents. • The fission power and released energy during simulated accident were obtained. • Coupling between debris regions and its effect on the fission power was obtained. - Abstract: Preliminary prompt supercritical kinetic analyses in a simplified coupled system of fuel debris designed to roughly resemble a melted core of a nuclear reactor were performed using an integral kinetic model. The integral kinetic model, which can describe region- and time-dependent fission rate in a coupled system of arbitrary geometry, was used because the fuel debris system is weakly coupled in terms of neutronics. The results revealed some important characteristics of coupled systems, such as the coupling between debris regions and the effect of the coupling on the fission rate and released energy in each debris region during the simulated criticality accident. In brief, this study showed that the integral kinetic model can be applied to supercritical kinetic analysis in fuel debris systems and also that it can be a useful tool for investigating the effect of the coupling on consequences of a supercritical accident.

  7. Direct numerical simulation of solidification microstructures affected by fluid flow

    International Nuclear Information System (INIS)

    Juric, D.

    1997-12-01

    The effects of fluid flow on the solidification morphology of pure materials and solute microsegregation patterns of binary alloys are studied using a computational methodology based on a front tracking/finite difference method. A general single field formulation is presented for the full coupling of phase change, fluid flow, heat and solute transport. This formulation accounts for interfacial rejection/absorption of latent heat and solute, interfacial anisotropies, discontinuities in material properties between the liquid and solid phases, shrinkage/expansion upon solidification and motion and deformation of the solid. Numerical results are presented for the two dimensional dendritic solidification of pure succinonitrile and the solidification of globulitic grains of a plutonium-gallium alloy. For both problems, comparisons are made between solidification without fluid flow and solidification within a shear flow

  8. Solidification control in continuous casting of steel

    Indian Academy of Sciences (India)

    Unknown

    Solidification in continuous casting (CC) technology is initiated in a water- ..... to fully austenitic solidification, and FP between 0 and 1 indicates mixed mode. ... the temperature interval (LIT – TSA) corresponding to fs = 0⋅9 → 1, is in reality the.

  9. In situ observations of graphite formation during solidification of cast iron

    DEFF Research Database (Denmark)

    Bjerre, Mathias Karsten

    solidification and growth continues throughout solid state cooling and the eutectoid transformation. Years of research have greatly improved the understanding of the basic mechanisms that control graphite growth as well as the ability to control graphite morphology during industrial production of cast components......, the solidification of cast iron is studied with focus on formation and growth of spheroidal graphite. To this end, an experiment is conducted at the Diamond Light Source synchrotron facility in Harwell, UK: Employing an environmental cell devel-oped at the Manchester X-ray Imaging Facility at the University...... state growth presented in the present thesis. From the analysis it is clear that the presented data is of an unprecedented quality and that it represents a solid basis for validation of future models. Solidification simulations of a ductile cast iron component highlights the importance of the nucleation...

  10. Solidification behaviors of a single-crystal superalloy under lateral constraints

    International Nuclear Information System (INIS)

    Zhuangqi Hu; Huaming Wang

    1993-01-01

    The effect of lateral constraints ahead of solidification interface on the solidification behaviors of a newly developed hot corrosion resistant single-crystal nickel-base superalloy was investigated under commercial single-crystal production conditions. The lateral constraints or section variations ahead of solidification front were found to have drastic influences both on the modes of solidification and the profiles of solute segregation. As lateral constraints were imposed ahead of the directionally solidifying interface, the solidification microstructure of the single-crystal superalloy changed suddenly, through a γ/γ' eutectic-free zone which is characterized by an extremely-fine and highly-developed dendrite network, from the original well-branched dendritic structure to a fine cellular-dendrite or regular cell structure, accompanying which the primary arm spacing, the severity of segregation and the amount of microporosity decreased remarkably. The newly formed cellular dendrite or cell structure transforms always gradually to the initial coarse dendrite structure as the lateral constraint is finally released whether gradually or sharply. Moreover, an abnormal porosity zone was readily observed in the initial section beneath and away from the eutectic-free zone. The solidification microstructural changes were attributed to the drastic dynamical changes in local solidification cooling conditions and in momentum transport during solidification due to the presence of lateral constraint

  11. PREFACE: Third International Conference on Advances in Solidification Processes (ICASP - 3)

    Science.gov (United States)

    Zimmermann, Gerhard; Ratke, Lorenz

    2012-01-01

    The 3rd International Conference on Advances in Solidification Processes was held in the Rolduc Abbey in the Netherlands a few kilometres away from Aachen. Around 200 scientists from 24 countries come in for the four day meeting. They found a stimulating but also relaxing environment and atmosphere, with beautiful weather and the medieval abbey inviting for walks, discussions, sitting outside and drinking a beer or wine. The contributions given at the conference reflected recent advances in various topics of solidification processes, ranging from fundamental aspects to applied casting technologies. In 20 oral sessions and a large poster session innovative results of segregation phenomena, microstructure evolution, nucleation and growth, phase formation, polyphase solidification, rapid solidification and welding, casting technology, thermophysics of molten alloys, solidification with forced melt flow and growth of single crystals and superalloys together with innovative diagnostic techniques were presented. Thereby, findings from experiments as well as from numerical modeling on different lengths scales were jointly discussed and contribute to new insight in solidification behaviour. The papers presented in this open access proceedings cover about half the oral and poster presentations given. They were carefully reviewed as in classical peer reviewed journals by two independent referees and most of them were revised and thus improved according to the reviewers comments. We think that this collection of papers presented at ICASP-3 gives an impression of the excellent contributions made. The papers embrace both the basic and applied aspects of solidification. We especially wish to express our appreciation for the team around Georg Schmitz and Margret Nienhaus organising this event and giving us their valued advice and support at every stage in preparing the conference. We also thank Lokasenna Lektorat for taking the task of checking all language-associated issues and

  12. Plastic solidification system at Hamaoka Nuclear Power Station

    International Nuclear Information System (INIS)

    Okajima, Hiroyuki; Iokibe, Hiroyuki; Tsukiyama, Shigeru; Suzuki, Michio; Yamaguchi, Masato

    1987-01-01

    In Unit 1 and 2 of the Hamaoka Nuclear Power Station, radioactive waste was previously solidified in cement. By this method, the quantity of waste thus treated is relatively small, resulting in large number of the solidified drums. In order to solve this problem, the solidification facility using a thermosetting resin was employed, which is in operation since January 1986 for Unit 1, 2 and 3. As compared with the cement solidification, the solidified volume of concentrated liquid is about 1/12 and of spent-resin slurry is about 1/4 in plastic solidification. The following are described: course leading to the employment, the plastic solidification facility, features of the facility, operation results so far with the facility, etc. (Mori, K.)

  13. Solidification of oils and organic liquids

    International Nuclear Information System (INIS)

    Clark, D.E.; Colombo, P.; Neilson, R.M. Jr.

    1982-07-01

    The suitability of selected solidification media for application in the disposal of low-level oil and other organic liquid wastes has been investigated. In the past, these low-level wastes (LLWs) have commonly been immobilized by sorption onto solid absorbents such as vermiculite or diatomaceous earth. Evolving regulations regarding the disposal of these materials encourage solidification. Solidification media which were studied include Portland type I cement; vermiculite plus Portland type I cement; Nuclear Technology Corporation's Nutek 380-cement process; emulsifier, Portland type I cement-sodium silicate; Delaware Custom Materiel's cement process; and the US Gypsum Company's Envirostone process. Waste forms have been evaluated as to their ability to reliably produce free standing monolithic solids which are homogeneous (macroscopically), contain < 1% free standing liquids by volume and pass a water immersion test. Solidified waste form specimens were also subjected to vibratory shock testing and flame testing. Simulated oil wastes can be solidified to acceptable solid specimens having volumetric waste loadings of less than 40 volume-%. However, simulated organic liquid wastes could not be solidified into acceptable waste forms above a volumetric loading factor of about 10 volume-% using the solidification agents studied

  14. General characteristics of eutectic alloy solidification mechanisms

    International Nuclear Information System (INIS)

    Lemaignan, Clement.

    1977-01-01

    The eutectic alloy sodification was studied in binary systems: solidification of non facetted - non facetted eutectic alloy (theoretical aspects, variation of the lamellar spacing, crystallographic relation between the various phases); solidification of facetted - non facetted eutectic alloy; coupled growth out of eutectic alloy; eutectic nucleation [fr

  15. Positive segregation as a function of buoyancy force during steel ingot solidification

    International Nuclear Information System (INIS)

    Radovic, Zarko; Jaukovic, Nada; Lalovic, Milisav; Tadic, Nebojsa

    2008-01-01

    We analyze theoretically and experimentally solute redistribution in the dendritic solidification process and positive segregation during solidification of steel ingots. Positive segregation is mainly caused by liquid flow in the mushy zone. Changes in the liquid steel velocity are caused by the temperature gradient and by the increase in the solid fraction during solidification. The effects of buoyancy and of the change in the solid fraction on segregation intensity are analyzed. The relationships between the density change, liquid fraction and the steel composition are considered. Such elements as W, Ni, Mo and Cr decrease the effect of the density variations, i.e. they show smaller tendency to segregate. Based on the modeling and experimental results, coefficients are provided controlling the effects of chemical composition, secondary dendrite arm spacing and the solid fraction.

  16. Solidification and performance of cement doped with phenol

    International Nuclear Information System (INIS)

    Vipulanandan, C.; Krishnan, S.

    1991-01-01

    Treating mixed hazardous wastes using the solidification/stabilization technology is becoming a critical element in waste management planning. The effect of phenol, a primary constituent in many hazardous wastes, on the setting and solidification process of Type I Portland cement was evaluated. The leachability of phenol from solidified cement matrix (TCLP test) and changes in mechanical properties were studied after curing times up to 28 days. The changes in cement hydration products due to phenol were studied using the X-ray diffraction (XRD) powder technique. Results show that phenol interferes with initial cement hydration by reducing the formation of calcium hydroxide and also reduces the compressive strength of cement. A simple model has been proposed to quantify the phenol leached from the cement matrix during the leachate test

  17. Kinetic Model of Growth of Arthropoda Populations

    Science.gov (United States)

    Ershov, Yu. A.; Kuznetsov, M. A.

    2018-05-01

    Kinetic equations were derived for calculating the growth of crustacean populations ( Crustacea) based on the biological growth model suggested earlier using shrimp ( Caridea) populations as an example. The development cycle of successive stages for populations can be represented in the form of quasi-chemical equations. The kinetic equations that describe the development cycle of crustaceans allow quantitative prediction of the development of populations depending on conditions. In contrast to extrapolation-simulation models, in the developed kinetic model of biological growth the kinetic parameters are the experimental characteristics of population growth. Verification and parametric identification of the developed model on the basis of the experimental data showed agreement with experiment within the error of the measurement technique.

  18. Predictive modeling of solidification during laser additive manufacturing of nickel superalloys: recent developments, future directions

    Science.gov (United States)

    Ghosh, Supriyo

    2018-01-01

    Additive manufacturing (AM) processes produce parts with improved physical, chemical, and mechanical properties compared to conventional manufacturing processes. In AM processes, intricate part geometries are produced from multicomponent alloy powder, in a layer-by-layer fashion with multipass laser melting, solidification, and solid-state phase transformations, in a shorter manufacturing time, with minimal surface finishing, and at a reasonable cost. However, there is an increasing need for post-processing of the manufactured parts via, for example, stress relieving heat treatment and hot isostatic pressing to achieve homogeneous microstructure and properties at all times. Solidification in an AM process controls the size, shape, and distribution of the grains, the growth morphology, the elemental segregation and precipitation, the subsequent solid-state phase changes, and ultimately the material properties. The critical issues in this process are linked with multiphysics (such as fluid flow and diffusion of heat and mass) and multiscale (lengths, times and temperature ranges) challenges that arise due to localized rapid heating and cooling during AM processing. The alloy chemistry-process-microstructure-property-performance correlation in this process will be increasingly better understood through multiscale modeling and simulation.

  19. Enthalpies of a binary alloy during solidification

    Science.gov (United States)

    Poirier, D. R.; Nandapurkar, P.

    1988-01-01

    The purpose of the paper is to present a method of calculating the enthalpy of a dendritic alloy during solidification. The enthalpies of the dendritic solid and interdendritic liquid of alloys of the Pb-Sn system are evaluated, but the method could be applied to other binaries, as well. The enthalpies are consistent with a recent evaluation of the thermodynamics of Pb-Sn alloys and with the redistribution of solute in the same during dendritic solidification. Because of the heat of mixing in Pb-Sn alloys, the interdendritic liquid of hypoeutectic alloys (Pb-rich) of less than 50 wt pct Sn has enthalpies that increase as temperature decreases during solidification.

  20. Kinetic modeling of cell metabolism for microbial production.

    Science.gov (United States)

    Costa, Rafael S; Hartmann, Andras; Vinga, Susana

    2016-02-10

    Kinetic models of cellular metabolism are important tools for the rational design of metabolic engineering strategies and to explain properties of complex biological systems. The recent developments in high-throughput experimental data are leading to new computational approaches for building kinetic models of metabolism. Herein, we briefly survey the available databases, standards and software tools that can be applied for kinetic models of metabolism. In addition, we give an overview about recently developed ordinary differential equations (ODE)-based kinetic models of metabolism and some of the main applications of such models are illustrated in guiding metabolic engineering design. Finally, we review the kinetic modeling approaches of large-scale networks that are emerging, discussing their main advantages, challenges and limitations. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Containerless solidification of acoustically levitated Ni-Sn eutectic alloy

    Energy Technology Data Exchange (ETDEWEB)

    Geng, D.L.; Xie, W.J.; Wei, B. [Northwestern Polytechnical University, Department of Applied Physics, Xi' an (China)

    2012-10-15

    Containerless solidification of Ni-18.7at%Sn eutectic alloy has been achieved with a single-axis acoustic levitator. The temperature, motion, and oscillation of the sample were monitored by a high speed camera. The temperature of the sample can be determined from its image brightness, although the sample moves vertically and horizontally during levitation. The experimentally observed frequency of vertical motion is in good agreement with theoretical prediction. The sample undergoes shape oscillation before solidification finishes. The solidification microstructure of this alloy consists of a mixture of anomalous eutectic plus regular lamellar eutectic. This indicates the achievement of rapid solidification under acoustic levitation condition. (orig.)

  2. Point kinetics modeling

    International Nuclear Information System (INIS)

    Kimpland, R.H.

    1996-01-01

    A normalized form of the point kinetics equations, a prompt jump approximation, and the Nordheim-Fuchs model are used to model nuclear systems. Reactivity feedback mechanisms considered include volumetric expansion, thermal neutron temperature effect, Doppler effect and void formation. A sample problem of an excursion occurring in a plutonium solution accidentally formed in a glovebox is presented

  3. Corium spreading: hydrodynamics, rheology and solidification of a high-temperature oxide melt

    International Nuclear Information System (INIS)

    Journeau, Ch.

    2006-06-01

    In the hypothesis of a nuclear reactor severe accident, the core could melt and form a high- temperature (2000-3000 K) mixture called corium. In the hypothesis of vessel rupture, this corium would spread in the reactor pit and adjacent rooms as occurred in Chernobyl or in a dedicated core-catcher s in the new European Pressurized reactor, EPR. This thesis is dedicated to the experimental study of corium spreading, especially with the prototypic corium material experiments performed in the VULCANO facility at CEA Cadarache. The first step in analyzing these tests consists in interpreting the material analyses, with the help of thermodynamic modelling of corium solidification. Knowing for each temperature the phase repartition and composition, physical properties can be estimated. Spreading termination is controlled by corium rheological properties in the solidification range, which leads to studying them in detail. The hydrodynamical, rheological and solidification aspects of corium spreading are taken into account in models and computer codes which have been validated against these tests and enable the assessment of the EPR spreading core-catcher concept. (author)

  4. Chemical Kinetic Modeling of 2-Methylhexane Combustion

    KAUST Repository

    Mohamed, Samah Y.

    2015-03-30

    Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important for investigating the combustion behavior of diesel, gasoline, and aviation fuels. Improving the fidelity of existing kinetic models is a necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values and rate rules. These update provides a better agreement with rapid compression machine measurements of ignition delay time, while also strengthening the fundamental basis of the model.

  5. Modeling composting kinetics: A review of approaches

    NARCIS (Netherlands)

    Hamelers, H.V.M.

    2004-01-01

    Composting kinetics modeling is necessary to design and operate composting facilities that comply with strict market demands and tight environmental legislation. Current composting kinetics modeling can be characterized as inductive, i.e. the data are the starting point of the modeling process and

  6. Solidification effects on sill formation: An experimental approach

    Science.gov (United States)

    Chanceaux, L.; Menand, T.

    2014-10-01

    Sills represent a major mechanism for constructing continental Earth's crust because these intrusions can amalgamate and form magma reservoirs and plutons. As a result, numerous field, laboratory and numerical studies have investigated the conditions that lead to sill emplacement. However, all previous studies have neglected the potential effect magma solidification could have on sill formation. The effects of solidification on the formation of sills are studied and quantified with scaled analogue laboratory experiments. The experiments presented here involved the injection of hot vegetable oil (a magma analogue) which solidified during its propagation as a dyke in a colder and layered solid of gelatine (a host rock analogue). The gelatine solid had two layers of different stiffness, to create a priori favourable conditions to form sills. Several behaviours were observed depending on the injection temperature and the injection rate: no intrusions (extreme solidification effects), dykes stopping at the interface (high solidification effects), sills (moderate solidification effects), and dykes passing through the interface (low solidification effects). All these results can be explained quantitatively as a function of a dimensionless temperature θ, which describes the experimental thermal conditions, and a dimensionless flux ϕ, which describes their dynamical conditions. The experiments reveal that sills can only form within a restricted domain of the (θ , ϕ) parameter space. These experiments demonstrate that contrary to isothermal experiments where cooling could not affect sill formation, the presence of an interface that would be a priori mechanically favourable is not a sufficient condition for sill formation; solidification effects restrict sill formation. The results are consistent with field observations and provide a means to explain why some dykes form sills when others do not under seemingly similar geological conditions.

  7. Numerical simulation of convection and inclusion distribution during solidification in a heavy steel ingot

    International Nuclear Information System (INIS)

    Lin, Rui; Shen, Houfa

    2015-01-01

    Inclusions content in the steel ingot is an important index for homogeneity, and it becomes more serious for heavy steel ingots which are used for major equipment. However, knowledge about the formation of inclusion in steel ingot is limited, and modeling of inclusion distribution is still challenging, so it is of great significance to research the behavior of inclusion. In this paper, fluid flow during solidification is numerically simulated based on the equilibrium equations of mass, momentum and energy, and then inclusion distribution is modeled according to the Lagrangian Stokes trajectory method. The Results show that the inclusion distribution in the steel ingot is influenced by the flow pattern which is affected by the solidification pattern. Therefore, inclusion distribution could be controlled by the solidification front with the optimization of heat transfer condition such as the hot top design of steel ingot for the high quality steel production. (paper)

  8. Chemical radwaste solidification processes

    International Nuclear Information System (INIS)

    Malloy, C.W.

    1979-01-01

    Some of these processes and their problems are briefly reviewed: early cement systems; urea-formaldehyde; Dow solidification process; low-viscosity chemical agents (POLYPAC); and water-extensible polyester. 9 refs

  9. A critical look at the kinetic models of thermoluminescence-II. Non-first order kinetics

    International Nuclear Information System (INIS)

    Sunta, C M; Ayta, W E F; Chubaci, J F D; Watanabe, S

    2005-01-01

    Non-first order (FO) kinetics models are of three types; second order (SO), general order (GO) and mixed order (MO). It is shown that all three of these have constraints in their energy level schemes and their applicable parameter values. In nature such restrictions are not expected to exist. The thermoluminescence (TL) glow peaks produced by these models shift their position and change their shape as the trap occupancies change. Such characteristics are very unlike those found in samples of real materials. In these models, in general, retrapping predominates over recombination. It is shown that the quasi-equilibrium (QE) assumption implied in the derivation of the TL equation of these models is quite valid, thus disproving earlier workers' conclusion that QE cannot be held under retrapping dominant conditions. However notwithstanding their validity, they suffer from the shortcomings as stated above and have certain lacunae. For example, the kinetic order (KO) parameter and the pre-exponential factor which are assumed to be the constant parameters of the GO kinetics expression turn out to be variables when this expression is applied to plausible physical models. Further, in glow peak characterization using the GO expression, the quality of fit is found to deteriorate when the best fitted value of KO parameter is different from 1 and 2. This means that the found value of the basic parameter, namely the activation energy, becomes subject to error. In the MO kinetics model, the value of the KO parameter α would change with dose, and thus in this model also, as in the GO model, no single value of KO can be assigned to a given glow peak. The paper discusses TL of real materials having characteristics typically like those of FO kinetics. Theoretically too, a plausible physical model of TL emission produces glow peaks which have characteristics of FO kinetics under a wide variety of parametric combinations. In the background of the above findings, it is suggested that

  10. Analysis of weld solidification cracking in cast nickel aluminide alloys

    International Nuclear Information System (INIS)

    Santella, M.L.; Feng, Z.

    1995-01-01

    A study of the response of several nickel aluminide alloys to SigmaJig testing was done to examine their weld solidification cracking behavior and the effect of Zr concentration. The alloys were based on the Ni-8Al-7.7Cr-1.5Mo-0.003B wt% composition and contained Zr concentrations of 3, 4.5, and 6 wt%. Vacuum induction melted ingots with a diameter of 2.7 in and weight about 18 lb were made of each alloy, and were used to make 2 x 2 x 0.030 in specimens for the Sigmajig test. The gas tungsten arc welds were made at travel speeds of 10, 20, and 30 ipm with heat inputs of 2--2.5 kJ/in. When an arc was established before traveling onto the test specimen centerline cracking was always observed. This problem was overcome by initiating the arc directly on the specimens. Using this approach, the 3 wt% Zr alloy withstood an applied stress of 24 ksi without cracking at a welding speed of 10 ipm. This alloy cracked at 4 ksi applied at 20 ipm, and with no applied load at 30 ipm. Only limited testing was done on the remaining alloys, but the results indicate that resistance to solidification cracking increases with Zr concentration. Zirconium has limited solid solubility and segregates strongly to interdendritic regions during solidification where it forms a Ni solid solution-Ni 5 Zr eutectic. The volume fraction of the eutectic increases with Zr concentration. The solidification cracking behavior of these alloys is consistent with phenomenological theory, and is discussed in this context. The results from SigmaJig testing are analyzed using finite element modeling of the development of mechanical strains during solidification of welds. Experimental data from the test substantially agree with recent analysis results

  11. Corium spreading: hydrodynamics, rheology and solidification of a high-temperature oxide melt; L'etalement du corium: hydrodynamique, rheologie et solidification d'unbain d'oxydes a haute temperature

    Energy Technology Data Exchange (ETDEWEB)

    Journeau, Ch

    2006-06-15

    In the hypothesis of a nuclear reactor severe accident, the core could melt and form a high- temperature (2000-3000 K) mixture called corium. In the hypothesis of vessel rupture, this corium would spread in the reactor pit and adjacent rooms as occurred in Chernobyl or in a dedicated core-catcher s in the new European Pressurized reactor, EPR. This thesis is dedicated to the experimental study of corium spreading, especially with the prototypic corium material experiments performed in the VULCANO facility at CEA Cadarache. The first step in analyzing these tests consists in interpreting the material analyses, with the help of thermodynamic modelling of corium solidification. Knowing for each temperature the phase repartition and composition, physical properties can be estimated. Spreading termination is controlled by corium rheological properties in the solidification range, which leads to studying them in detail. The hydrodynamical, rheological and solidification aspects of corium spreading are taken into account in models and computer codes which have been validated against these tests and enable the assessment of the EPR spreading core-catcher concept. (author)

  12. Search for a solute-drag effect in dendritic solidification

    International Nuclear Information System (INIS)

    Eckler, K.; Herlach, D.M.; Aziz, M.J.

    1994-01-01

    The authors report the results of an indirect experimental test for the solute-drag effect in alloy solidification by fitting the data of Eckler et.al. for Ni-B dendrite tip velocities vs undercooling to models in several ways. The unknown equilibrium partition coefficient, k e , was varied as a fitting parameter. When they combine the dendrite growth model of Boettinger et al. with the Continuous Growth Model (CGM) of Aziz and Kaplan with solute drag, they cannot fit the data for any value of k e . When they combine dendrite growth theory with the CGM without solute drag, they obtain a reasonable fit to the data for k e = 4 x 10 -6 . When they combine dendrite growth theory with a new partial-solute-drag interpolation between the with-solute-drag and the without-solute-drag versions of the CGM, they obtain a still better fit to the data for k e = 2.8 x 10 - 4. This result points out the possibility of partial solute-drag during solidification and the importance of an independent determination of k e in order to distinguish between models

  13. Computer-Aided Construction of Chemical Kinetic Models

    Energy Technology Data Exchange (ETDEWEB)

    Green, William H. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2014-12-31

    The combustion chemistry of even simple fuels can be extremely complex, involving hundreds or thousands of kinetically significant species. The most reasonable way to deal with this complexity is to use a computer not only to numerically solve the kinetic model, but also to construct the kinetic model in the first place. Because these large models contain so many numerical parameters (e.g. rate coefficients, thermochemistry) one never has sufficient data to uniquely determine them all experimentally. Instead one must work in “predictive” mode, using theoretical rather than experimental values for many of the numbers in the model, and as appropriate refining the most sensitive numbers through experiments. Predictive chemical kinetics is exactly what is needed for computer-aided design of combustion systems based on proposed alternative fuels, particularly for early assessment of the value and viability of proposed new fuels before those fuels are commercially available. This project was aimed at making accurate predictive chemical kinetics practical; this is a challenging goal which requires a range of science advances. The project spanned a wide range from quantum chemical calculations on individual molecules and elementary-step reactions, through the development of improved rate/thermo calculation procedures, the creation of algorithms and software for constructing and solving kinetic simulations, the invention of methods for model-reduction while maintaining error control, and finally comparisons with experiment. Many of the parameters in the models were derived from quantum chemistry calculations, and the models were compared with experimental data measured in our lab or in collaboration with others.

  14. Chemical kinetics and combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

    Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

  15. Dynamic Modeling of Cell-Free Biochemical Networks Using Effective Kinetic Models

    Directory of Open Access Journals (Sweden)

    Joseph A. Wayman

    2015-03-01

    Full Text Available Cell-free systems offer many advantages for the study, manipulation and modeling of metabolism compared to in vivo processes. Many of the challenges confronting genome-scale kinetic modeling can potentially be overcome in a cell-free system. For example, there is no complex transcriptional regulation to consider, transient metabolic measurements are easier to obtain, and we no longer have to consider cell growth. Thus, cell-free operation holds several significant advantages for model development, identification and validation. Theoretically, genome-scale cell-free kinetic models may be possible for industrially important organisms, such as E. coli, if a simple, tractable framework for integrating allosteric regulation with enzyme kinetics can be formulated. Toward this unmet need, we present an effective biochemical network modeling framework for building dynamic cell-free metabolic models. The key innovation of our approach is the integration of simple effective rules encoding complex allosteric regulation with traditional kinetic pathway modeling. We tested our approach by modeling the time evolution of several hypothetical cell-free metabolic networks. We found that simple effective rules, when integrated with traditional enzyme kinetic expressions, captured complex allosteric patterns such as ultrasensitivity or non-competitive inhibition in the absence of mechanistic information. Second, when integrated into network models, these rules captured classic regulatory patterns such as product-induced feedback inhibition. Lastly, we showed, at least for the network architectures considered here, that we could simultaneously estimate kinetic parameters and allosteric connectivity from synthetic data starting from an unbiased collection of possible allosteric structures using particle swarm optimization. However, when starting with an initial population that was heavily enriched with incorrect structures, our particle swarm approach could converge

  16. Effect of Chemical Composition on Susceptibility to Weld Solidification Cracking in Austenitic Weld Metal

    Science.gov (United States)

    Kadoi, Kota; Shinozaki, Kenji

    2017-12-01

    The influence of the chemical composition, especially the niobium content, chromium equivalent Creq, and nickel equivalent Nieq, on the weld solidification cracking susceptibility in the austenite single-phase region in the Schaeffler diagram was investigated. Specimens were fabricated using the hot-wire laser welding process with widely different compositions of Creq, Nieq, and niobium in the region. The distributions of the susceptibility, such as the crack length and brittle temperature range (BTR), in the Schaeffler diagram revealed a region with high susceptibility to solidification cracking. Addition of niobium enhanced the susceptibility and changed the distribution of the susceptibility in the diagram. The BTR distribution was in good agreement with the distribution of the temperature range of solidification (Δ T) calculated by solidification simulation based on Scheil model. Δ T increased with increasing content of alloying elements such as niobium. The distribution of Δ T was dependent on the type of alloying element owing to the change of the partitioning behavior. Thus, the solidification cracking susceptibility in the austenite single-phase region depends on whether the alloy contains elements. The distribution of the susceptibility in the region is controlled by the change in Δ T and the segregation behavior of niobium with the chemical composition.

  17. Polymer Solidification Technology - Technical Issues and Challenges

    International Nuclear Information System (INIS)

    Jensen, Charles; Kim, Juyoul

    2010-01-01

    Many factors come into play, most of which are discovered and resolved only during full-scale solidification testing of each of the media commonly used in nuclear power plants. Each waste stream is unique, and must be addressed accordingly. This testing process is so difficult that Diversified's Vinyl Ester Styrene and Advanced Polymer Solidification are the only two approved processes in the United States today. This paper summarizes a few of the key obstacles that must be overcome to achieve a reliable, repeatable process for producing an approved Stable Class B and C waste form. Before other solidification and encapsulation technologies can be considered compliant with the requirements of a Stable waste form, the tests, calculations and reporting discussed above must be conducted for both the waste form and solidification process used to produce the waste form. Diversified's VERI TM and APS TM processes have gained acceptance in the UK. These processes have also been approved and gained acceptance in the U. S. because we have consistently overcome technical hurdles to produce a complaint product. Diversified Technologies processes are protected intellectual property. In specific instances, we have patents pending on key parts of our process technology

  18. Diffusion-controlled growth of hydrogen pores in aluminum-silicon castings: In situ observation and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Atwood, R.C.; Sridhar, S.; Zhang, W.; Lee, P.D.

    2000-01-24

    In situ observations were made of the nucleation and growth kinetics of hydrogen porosity during the directional solidification of aluminium-7 wt% silicon (Al7Si) with TiB{sub 2} grain refiner added, using an X-ray temperature gradient stage (XTGS). The effect of altering the solidification velocity on the growth rate and morphology of the porosity formed was characterized by tracking individual pores with digital analysis of the micro-focal video images. It was found that increasing the solidification velocity caused the pore radius to decrease and pore density to increase. Insight gained from the experimental results was used to develop a computational model of the evolution of hydrogen pores during solidification of aluminum-silicon cast alloys. The model solves for the diffusion-limited growth of the pores in spherical coordinates, using a deterministic solution of the grain nucleation and growth as a sub-model to calculate the parameters that depend upon the fraction solid. Sensitivity analysis was carried out to assess the effects of equiaxed grain density, pore density, initial hydrogen content and cooling rate. The model agrees with the experimental results within the resolution limits of the XTGS experiments performed.

  19. Fluid mechanics of directional solidification at reduced gravity

    Science.gov (United States)

    Chen, C. F.

    1992-01-01

    The primary objective of the proposed research is to provide additional groundbased support for the flight experiment 'Casting and Solidification Technology' (CAST). This experiment is to be performed in the International Microgravity Laboratory-1 (IML-1) scheduled to be flown on a space shuttle mission scheduled for 1992. In particular, we will provide data on the convective motion and freckle formation during directional solidification of NH4Cl from its aqueous solution at simulated parameter ranges equivalent to reducing the gravity from the sea-level value down to 0.1 g or lower. The secondary objectives of the proposed research are to examine the stability phenomena associated with the onset of freckles and the mechanisms for their subsequent growth and decline (to eventual demise of some) by state-of-the-art imaging techniques and to formulate mathematical models for the prediction of the observed phenomena.

  20. A discontinuous Galerkin method on kinetic flocking models

    OpenAIRE

    Tan, Changhui

    2014-01-01

    We study kinetic representations of flocking models. They arise from agent-based models for self-organized dynamics, such as Cucker-Smale and Motsch-Tadmor models. We prove flocking behavior for the kinetic descriptions of flocking systems, which indicates a concentration in velocity variable in infinite time. We propose a discontinuous Galerkin method to treat the asymptotic $\\delta$-singularity, and construct high order positive preserving scheme to solve kinetic flocking systems.

  1. Macrosegregation and Grain Formation Caused by Convection Associated with Directional Solidification Through Cross-Section Increase

    Science.gov (United States)

    Ghods, Masoud; Lauer, Mark; Tewari, Surendra; Poirier, David; Grugel, Richard

    2016-01-01

    Cylindrical Al-7 wt% Silicon, Al-19 wt% Copper and Lead-6 wt% Antimony alloy samples were directionally solidified (DS) with liquid above, solid below, and gravity pointing down, in graphite crucibles having an abrupt cross-sectional increase. These alloys have similar solidification shrinkage but are expected to have different degrees of thermosolutal convection during solidification. Microstructures in the DS samples in the vicinity of the section change have been studied in order to examine the effect of convection associated with the combined influence of thermosolutal effects and solidification shrinkage. Extensive radial and axial macrosegregation associated with cross-section change is observed. It also appears that steepling and local primary alpha-phase remelting resulting from convection are responsible for stray grain formation at the reentrant corners. Preliminary results from a numerical model, which includes solidification shrinkage and thermosolutal convection in the mushy zone, indicate that these regions are prone to solutal remelting of dendrites.

  2. Elimination of Hot Tears in Steel Castings by Means of Solidification Pattern Optimization

    DEFF Research Database (Denmark)

    Kotas, Petr; Tutum, Cem Celal; Thorborg, Jesper

    2012-01-01

    A methodology of how to exploit the Niyama criterion for the elimination of various defects such as centerline porosity, macrosegregation, and hot tearing in steel castings is presented. The tendency of forming centerline porosity is governed by the temperature distribution close to the end...... of the solidification interval, specifically by thermal gradients and cooling rates. The physics behind macrosegregation and hot tears indicate that these two defects also are dependent heavily on thermal gradients and pressure drop in the mushy zone. The objective of this work is to show that by optimizing...... the solidification pattern, i.e., establishing directional and progressive solidification with the help of the Niyama criterion, macrosegregation and hot tearing issues can be both minimized or eliminated entirely. An original casting layout was simulated using a transient three-dimensional (3-D) thermal fluid model...

  3. Numerical investigation on natural convection and solidification of molten pool with OpenFOAM

    International Nuclear Information System (INIS)

    Wang Xi; Meng Zhaocan; Cheng Xu

    2015-01-01

    The in-vessel retention is adopted by the third generation nuclear power technology as an important severe accident mitigation strategy. The integrity of reactor pressure vessel depends on the heat flux distribution of molten pool. In present study, the solidification model in open source CFD software OpenFOAM was applied to simulate solidification and natural convection which was driven by internal heat source or temperature difference. The stratified molten pool heat transfer experiment carried out by Royal Institute of Technology was analyzed in the paper, and the solidified crust, temperature and heat flux distributions were obtained. The simulation results were compared with experimental data. It is shown that this numerical method can be used in the simulation of natural convection and solidification of molten pool, and it will probably be used in the analysis of molten corium behavior in reactor lower head. (authors)

  4. Experimental and Theoretical Investigations of the Solidification of Eutectic Al-Si Alloy

    Science.gov (United States)

    Sen, S.; Catalina, A. V.; Rose, M. Franklin (Technical Monitor)

    2001-01-01

    The eutectic alloys have a wide spectrum of applications due to their good castability and physical and mechanical properties. The interphase spacing resulting during solidification is an important microstructural feature that significantly influences the mechanical behavior of the material. Thus, knowledge of the evolution of the interphase spacing during solidification is necessary in order to properly design the solidification process and optimize the material properties. While the growth of regular eutectics is rather well understood, the irregular eutectics such as Al-Si or Fe-graphite exhibit undercoolings and lamellar spacings much larger than those theoretically predicted. Despite of a considerable amount of experimental and theoretical work a clear understanding of the true mechanism underlying the spacing selection in irregular eutectics is yet to be achieved. A new experimental study of the solidification of the eutectic Al-Si alloy will be reported in this paper. The measured interface undercoolings and lamellar spacing will be compared to those found in the literature in order to get more general information regarding the growth mechanism of irregular eutectics. A modification of the present theory of the eutectic growth is also proposed. The results of the modified mathematical model, accounting for a non-isothermal solid/liquid interface, will be compared to the experimental measurements.

  5. Performance of neutron kinetics models for ADS transient analyses

    International Nuclear Information System (INIS)

    Rineiski, A.; Maschek, W.; Rimpault, G.

    2002-01-01

    Within the framework of the SIMMER code development, neutron kinetics models for simulating transients and hypothetical accidents in advanced reactor systems, in particular in Accelerator Driven Systems (ADSs), have been developed at FZK/IKET in cooperation with CE Cadarache. SIMMER is a fluid-dynamics/thermal-hydraulics code, coupled with a structure model and a space-, time- and energy-dependent neutronics module for analyzing transients and accidents. The advanced kinetics models have also been implemented into KIN3D, a module of the VARIANT/TGV code (stand-alone neutron kinetics) for broadening application and for testing and benchmarking. In the paper, a short review of the SIMMER and KIN3D neutron kinetics models is given. Some typical transients related to ADS perturbations are analyzed. The general models of SIMMER and KIN3D are compared with more simple techniques developed in the context of this work to get a better understanding of the specifics of transients in subcritical systems and to estimate the performance of different kinetics options. These comparisons may also help in elaborating new kinetics models and extending existing computation tools for ADS transient analyses. The traditional point-kinetics model may give rather inaccurate transient reaction rate distributions in an ADS even if the material configuration does not change significantly. This inaccuracy is not related to the problem of choosing a 'right' weighting function: the point-kinetics model with any weighting function cannot take into account pronounced flux shape variations related to possible significant changes in the criticality level or to fast beam trips. To improve the accuracy of the point-kinetics option for slow transients, we have introduced a correction factor technique. The related analyses give a better understanding of 'long-timescale' kinetics phenomena in the subcritical domain and help to evaluate the performance of the quasi-static scheme in a particular case. One

  6. Heat and fluid flow during rapid solidification of non-equilibrium materials

    International Nuclear Information System (INIS)

    Negli, S.C.; Eddingfield, D.L.; Brower, W.E. Jr.

    1990-01-01

    Rapid solidification technology (RST) is an advanced solidification process which is being utilized to produce non-equilibrium structures with properties not previously available with conventionally cast materials. An iron based alloy rapidly quenched to form a metallic glass is being installed on a large scale in electric power transformers where it cuts heat losses dramatically. The formation of a non-equilibrium structure usually requires a cooling rate of at least a million degrees per second. Achieving this high a cooling rate depends not only on the heat transfer conditions during the quenching process, but also on the fluid flow conditions in the molten metal before and during solidification. This paper presents a model of both heat and fluid flow during RST by the hammer and anvil method. The symmetry of two sided cooling permits analysis which is still applicable to the one sided cooling that occurs during melt spinning, the prevalent method of RST. The heat flow is modeled as one dimensional, normal to the quench surface. Previous models have shown the heat flow in the plane of the quench surface not to be significant. The fluid flow portion of the model utilizes the squeeze film solution for flow between two parallel flat plates. The model predicts the effects of superheat of the melt and of the quench hammer speed upon cooling rate during the formation of nonequilibrium phases. An unexpected result is that increased superheat results in much higher cooling rates, due to fluid flow before a potential transformation would take place; this enhanced liquid metal flow results in a thinner section casting which in turn has a dominant effect on the cooling rate. The model also predicts an expanded regime of Newtonian (interface controlled) cooling by about a factor of ten as compared to previous model of RST

  7. MODELLING OF KINETICS OF FLUORINE ADSORPTION ONTO MODIFIED DIATOMITE

    Directory of Open Access Journals (Sweden)

    VEACESLAV ZELENTSOV

    2017-03-01

    Full Text Available The paper presents kinetics modelling of adsorption of fluorine onto modified diatomite, its fundamental characteristics and mathematical derivations. Three models of defluoridation kinetics were used to fit the experimental results on adsorption fluorine onto diatomite: the pseudo-first order model Lagergren, the pseudo-second order model G. McKay and H.S. Ho and intraparticle diffusion model of W.J. Weber and J.C. Morris. Kinetics studies revealed that the adsorption of fluorine followed second-order rate model, complimented by intraparticle diffusion kinetics. The adsorption mechanism of fluorine involved three stages – external surface adsorption, intraparticle diffusion and the stage of equilibrium.

  8. Directional Solidification and Liquidus Projection of the Sn-Co-Cu System

    Science.gov (United States)

    Chen, Sinn-Wen; Chang, Jui-Shen; Pan, Kevin; Hsu, Chia-Ming; Hsu, Che-Wei

    2013-04-01

    This study investigates the Sn-Co-Cu ternary system, which is of interest to the electronics industry. Ternary Sn-Co-Cu alloys were prepared, their as-solidified microstructures were examined, and their primary solidification phases were determined. The primary solidification phases observed were Cu, Co, Co3Sn2, CoSn, CoSn2, Cu6Sn5, Co3Sn2, γ, and β phases. Although there are ternary compounds reported in this ternary system, no ternary compound was found as the primary solidification phase. The directional solidification technique was applied when difficulties were encountered using the conventional quenching method to distinguish the primary solidification phases, such as Cu6Sn5, Cu3Sn, and γ phases. Of all the primary solidification phases, the Co3Sn2 and Co phases have the largest compositional regimes in which alloys display them as the primary solidification phases. There are four class II reactions and four class III reactions. The reactions with the highest and lowest reaction temperatures are both class III reactions, and are L + CoSn2 + Cu6Sn5 = CoSn3 at 621.5 K (348.3 °C) and L + Co3Sn2 + CoSn = Cu6Sn5 at 1157.8 K (884.6 °C), respectively.

  9. Ensemble averaged multi-phase Eulerian model for columnar/equiaxed solidification of a binary alloy: II. Simulation of the columnar-to-equiaxed transition (CET)

    International Nuclear Information System (INIS)

    Ciobanas, A I; Fautrelle, Y

    2007-01-01

    A new multi-phase Eulerian model for the columnar and equiaxed dendritic solidification has been developed. In this paper we first focus on the numerical simulation of quasi-steady solidification experiments in order to obtain corresponding CET maps. We have identified three main zones on the CET map: the pure columnar, the pure equiaxed zone and finally the mixed columnar+equiaxed zone. The mixed c/e zone was further quantified by means of a columnar fraction ε c which quantifies in a rigorous way the two coexisting structures. Since it intrinsically includes the solutal and the mechanical blocking effects, the new ensemble model unifies the semi-empirical Hunt's approach (pure mechanical blocking mechanism) and the Martorano et al approach (pure solutal blocking mechanism). Secondly the present model was used to simulate unidirectional solidification experiments. It was found that the columnar front evolved in a quasi-steady state until a time very close to the critical CET moment. It is also found that the equiaxed nucleation undercooling is close to the maximum columnar dendrite tip undercooling and that the CET is virtually independent of the equiaxed zone ahead of the columnar front. If the equiaxed zone is not taken into account it is observed that the columnar front velocity exhibits a sudden increase at the beginning of the solidification followed by a quasi-plateau corresponding to a quasi-state at the columnar tips and finally, above a critical time, an oscillatory evolution. The beginning of the oscillatory evolution of the columnar front was well correlated with the CET position measured in the experiments. We also find that this oscillatory evolution of the columnar front is very favourable for the fragmentation of the columnar dendrites and thus for the CET. In this respect, it seems that the unsteady regime of the columnar front with respect to the local cooling conditions represents the main cause for the CET phenomena, at least for the non

  10. Finite volume modeling of the solidification of an axial steel cast impeller

    Directory of Open Access Journals (Sweden)

    M. Copur

    2014-04-01

    Full Text Available In the foundry industry, obtaining the solidification contours in cast geometries are extremely important to know the last location(s to solidify in order to define the correct feeding path and the number of risers. This paper presents three-dimensional simulation of transient conduction heat transfer within an axial impeller, made of AISI 1016 steel, poured and solidified in chemically bonded mold and core medium, by using FVM technique and ANSYS CFX. Specific heat, density and thermal conductivity of AISI 1016 steel, mold and Core materials are considered as functions of temperatures. In this transient thermal analysis, the convection heat transfer phenomenon is also considered at the outer surfaces of the mold. In order to shorten the run-time, the nonlinear transient analysis has been made for 600/3600 segment of the impeller, core and mold. The solidification contours of the impeller as well as isothermal lines in core and mold have been obtained in 3-D. The cooling curves of diff erent points are also shown in the result section.

  11. Kinetic models for irreversible processes on a lattice

    Energy Technology Data Exchange (ETDEWEB)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism.

  12. Kinetic models for irreversible processes on a lattice

    International Nuclear Information System (INIS)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism

  13. The effects of solidification on sill propagation dynamics and morphology

    Science.gov (United States)

    Chanceaux, L.; Menand, T.

    2016-05-01

    Sills are an integral part of the formation and development of larger plutons and magma reservoirs. Thus sills are essential for both the transport and the storage of magma in the Earth's crust. However, although cooling and solidification are central to magmatism, their effects on sills have been so far poorly studied. Here, the effects of solidification on sill propagation dynamics and morphology are studied by means of analogue laboratory experiments. Hot fluid vegetable oil (magma analogue), that solidifies during its propagation, is injected as a sill in a colder layered gelatine solid (elastic host rock analogue). The injection flux and temperature are maintained constant during an experiment and systematically varied between each experiment, in order to vary and quantify the amount of solidification between each experiments. The oil is injected directly at the interface between the two gelatine layers. When solidification effects are small (high injection temperatures and fluxes), the propagation is continuous and the sill has a regular and smooth surface. Inversely, when solidification effects are important (low injection temperatures and fluxes), sill propagation is discontinuous and occurs by steps of surface-area creation interspersed with periods of momentary arrest. The morphology of these sills displays folds, ropy structures on their surface, and lobes with imprints of the leading fronts that correspond to each step of area creation. These experiments show that for a given, constant injected volume, as solidification effects increase, the area of the sills decreases, their thickness increases, and the number of propagation steps increases. These results have various geological and geophysical implications. The morphology of sills, such as lobate structures (interpretation of 3D seismic studies in sedimentary basin) and ropy flow structures (field observations) can be related to solidification during emplacement. Moreover, a non-continuous morphology

  14. Kinetic modeling in pre-clinical positron emission tomography

    Energy Technology Data Exchange (ETDEWEB)

    Kuntner, Claudia [AIT Austrian Institute of Technology GmbH, Seibersdorf (Austria). Biomedical Systems, Health and Environment Dept.

    2014-07-01

    Pre-clinical positron emission tomography (PET) has evolved in the last few years from pure visualization of radiotracer uptake and distribution towards quantification of the physiological parameters. For reliable and reproducible quantification the kinetic modeling methods used to obtain relevant parameters of radiotracer tissue interaction are important. Here we present different kinetic modeling techniques with a focus on compartmental models including plasma input models and reference tissue input models. The experimental challenges of deriving the plasma input function in rodents and the effect of anesthesia are discussed. Finally, in vivo application of kinetic modeling in various areas of pre-clinical research is presented and compared to human data.

  15. Modeling the degradation kinetics of ascorbic acid.

    Science.gov (United States)

    Peleg, Micha; Normand, Mark D; Dixon, William R; Goulette, Timothy R

    2018-06-13

    Most published reports on ascorbic acid (AA) degradation during food storage and heat preservation suggest that it follows first-order kinetics. Deviations from this pattern include Weibullian decay, and exponential drop approaching finite nonzero retention. Almost invariably, the degradation rate constant's temperature-dependence followed the Arrhenius equation, and hence the simpler exponential model too. A formula and freely downloadable interactive Wolfram Demonstration to convert the Arrhenius model's energy of activation, E a , to the exponential model's c parameter, or vice versa, are provided. The AA's isothermal and non-isothermal degradation can be simulated with freely downloadable interactive Wolfram Demonstrations in which the model's parameters can be entered and modified by moving sliders on the screen. Where the degradation is known a priori to follow first or other fixed order kinetics, one can use the endpoints method, and in principle the successive points method too, to estimate the reaction's kinetic parameters from considerably fewer AA concentration determinations than in the traditional manner. Freeware to do the calculations by either method has been recently made available on the Internet. Once obtained in this way, the kinetic parameters can be used to reconstruct the entire degradation curves and predict those at different temperature profiles, isothermal or dynamic. Comparison of the predicted concentration ratios with experimental ones offers a way to validate or refute the kinetic model and the assumptions on which it is based.

  16. Continuum simulation of heat transfer and solidification behavior of AlSi10Mg in Direct Metal Laser Sintering Process

    Science.gov (United States)

    Ojha, Akash; Samantaray, Mihir; Nath Thatoi, Dhirendra; Sahoo, Seshadev

    2018-03-01

    Direct Metal Laser Sintering (DMLS) process is a laser based additive manufacturing process, which built complex structures from powder materials. Using high intensity laser beam, the process melts and fuse the powder particles makes dense structures. In this process, the laser beam in terms of heat flux strikes the powder bed and instantaneously melts and joins the powder particles. The partial solidification and temperature distribution on the powder bed endows a high cooling rate and rapid solidification which affects the microstructure of the build part. During the interaction of the laser beam with the powder bed, multiple modes of heat transfer takes place in this process, that make the process very complex. In the present research, a comprehensive heat transfer and solidification model of AlSi10Mg in direct metal laser sintering process has been developed on ANSYS 17.1.0 platform. The model helps to understand the flow phenomena, temperature distribution and densification mechanism on the powder bed. The numerical model takes into account the flow, heat transfer and solidification phenomena. Simulations were carried out for sintering of AlSi10Mg powders in the powder bed having dimension 3 mm × 1 mm × 0.08 mm. The solidification phenomena are incorporated by using enthalpy-porosity approach. The simulation results give the fundamental understanding of the densification of powder particles in DMLS process.

  17. Reactor kinetics revisited: a coefficient based model (CBM)

    International Nuclear Information System (INIS)

    Ratemi, W.M.

    2011-01-01

    In this paper, a nuclear reactor kinetics model based on Guelph expansion coefficients calculation ( Coefficients Based Model, CBM), for n groups of delayed neutrons is developed. The accompanying characteristic equation is a polynomial form of the Inhour equation with the same coefficients of the CBM- kinetics model. Those coefficients depend on Universal abc- values which are dependent on the type of the fuel fueling a nuclear reactor. Furthermore, such coefficients are linearly dependent on the inserted reactivity. In this paper, the Universal abc- values have been presented symbolically, for the first time, as well as with their numerical values for U-235 fueled reactors for one, two, three, and six groups of delayed neutrons. Simulation studies for constant and variable reactivity insertions are made for the CBM kinetics model, and a comparison of results, with numerical solutions of classical kinetics models for one, two, three, and six groups of delayed neutrons are presented. The results show good agreements, especially for single step insertion of reactivity, with the advantage of the CBM- solution of not encountering the stiffness problem accompanying the numerical solutions of the classical kinetics model. (author)

  18. Phase selection and microstructure in directional solidification of glass forming Pd-Si-Cu alloys

    Science.gov (United States)

    Huo, Yang

    Phase selection and microstructure formation during the rapid solidification of alloy melts has been a topic of substantial interest over the last several decades, attributed mainly to the access to novel structures involving metastable crystalline and non-crystalline phases. In this work, Bridgeman type directional solidification was conducted in Pd-Si-Cu glass forming system to study such cooling rate dependent phase transition and microstructure formation. The equilibrium state for Pd-Si-Cu ternary system was investigated through three different works. First of all, phase stabilities for Pd-Si binary system was accessed with respects of first-principles and experiments, showing Pd5Si, Pd9Si2, Pd3Si and Pd 2Si phase are stable all way to zero Kevin while PdSi phase is a high temperature stable phase, and Pd2Si phase with Fe2P is a non-stoichiometry phase. A thermodynamic database was developed for Pd-Si system. Second, crystal structures for compounds with ternary compositions were studied by XRD, SEM and TEM, showing ordered and disordered B2/bcc phases are stable in Pd-rich part. At last, based on many phase equilibria and phase transitions data, a comprehensive thermodynamic discrption for Pd-Si-Cu ternary system was first time to be developed, from which different phase diagrams and driving force for kinetics can be calculated. Phase selection and microstructure formation in directional solidification of the best glass forming composition, Pd 77.5Si16.5Cu6, in this system with growth velocities from 0.005 to 7.5mm/s was systematically studied and the solidification pathways at different conditions were interpreted from thermodynamic simulation. The results show that for growth velocities are smaller than 0.1mm/s Pd 3Si phase is primary phase and Pd9Si2 phase is secondary phase, the difficulty for Pd9Si2 phase nucleation gives rise to the formation of two different eutectic structure. For growth velocities between 0.4 and 1mm/s, instead of Pd3Si phase, Pd9Si2

  19. Thermal oxidative degradation kinetics of agricultural residues using distributed activation energy model and global kinetic model.

    Science.gov (United States)

    Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

    2018-08-01

    The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. Application of the Method of Direct Solidification for Obtaining New Materials

    International Nuclear Information System (INIS)

    Grankin, S.S.

    2007-01-01

    The influence of the method of direct solidification on the formation of the material structure has been considered. The main methods of single crystal growth have been described. A considerable influence of the crystal growth parameters (temperature gradient at the front of solidification and the speed of moving of the front of solidification) on the type of the structure and morphology of single crystals has been shown. The examples of application of the method of direct solidification in experimental and industrial production are showed: production of directly crystallized blades for turbines of nuclear power plants and gas-turbine engines

  1. Simulating solidification in metals at high pressure: The drive to petascale computing

    International Nuclear Information System (INIS)

    Streitz, Frederick H; Glosli, James N; Patel, Mehul V; Chan, Bor; Yates, Robert K; Supinski, Bronis R de; Sexton, James; Gunnels, John A

    2006-01-01

    We investigate solidification in metal systems ranging in size from 64,000 to 524,288,000 atoms on the IBM BlueGene/L computer at LLNL. Using the newly developed ddcMD code, we achieve performance rates as high as 103 TFlops, with a performance of 101.7 TFlop sustained over a 7 hour run on 131,072 cpus. We demonstrate superb strong and weak scaling. Our calculations are significant as they represent the first atomic-scale model of metal solidification to proceed, without finite size effects, from spontaneous nucleation and growth of solid out of the liquid, through the coalescence phase, and into the onset of coarsening. Thus, our simulations represent the first step towards an atomistic model of nucleation and growth that can directly link atomistic to mesoscopic length scales

  2. Polyethylene solidification of low-level wastes

    International Nuclear Information System (INIS)

    Kalb, P.D.; Colombo, P.

    1985-02-01

    This topical report describes the results of an investigation on the solidification of low-level radioactive waste in polyethylene. Waste streams selected for this study included those which result from advanced volume reduction technologies (dry evaporator concentrate salts and incinerator ash) and those which remain problematic for solidification using contemporary agents (ion exchange resins). Four types of commercially available low-density polyethylenes were employed which encompass a range of processing and property characteristics. Process development studies were conducted to ascertain optimal process control parameters for successful solidification. Maximum waste loadings were determined for each waste and polyethylene type. Property evaluation testing was performed on laboratory-scale specimens to assess the potential behavior of actual waste forms in a disposal environment. Waste form property tests included water immersion, deformation under compressive load, thermal cycling and radionuclide leaching. Recommended waste loadings of 70 wt % sodium sulfate, 50 wt % boric acid, 40 wt % incinerator ash, and 30 wt % ion exchange resins, which are based on process control and waste form performance considerations are reported. 37 refs., 33 figs., 22 tabs

  3. L2 droplet interaction with α-Al during solidification of hypermonotectic Al-8 wt.% Bi alloys

    International Nuclear Information System (INIS)

    Schaffer, P.L.; Mathiesen, R.H.; Arnberg, L.

    2009-01-01

    Studies of Al-based hypermonotectics have so far focused mainly on droplet motion and coagulation dynamics, with limited attention given to the interaction between droplets and the advancing solidification front which is decisive for the final distribution of the second phase within the α-Al matrix. The current work presents results from directional solidification experiments with Al-8 wt.% Bi alloys. It was found that droplets with large radii were frequently pushed and small droplets were engulfed. This is contradictory to the many models that have been proposed to explain pushing/engulfment of solid particles and can in part be ascribed to the fact that while solid-particle models only consider single, non-interacting particles that remain unaffected by solutal gradients ahead of the advancing solidification front, droplet-droplet interaction and local solute gradients have been found to be critical for droplet pushing/engulfment behaviour in hypermonotectic alloys.

  4. Modeling the isochronal crystallization kinetics

    International Nuclear Information System (INIS)

    Sahay, S.S.; Krishnan, Karthik

    2004-01-01

    The classical Johnson-Mehl-Avrami-Kolmogorov (JMAK) model, originally formulated for the isothermal condition, is often used in conjunction with additivity principle for modeling the non-isothermal crystallization kinetics. This approach at times results in significant differences between the model prediction and experimental data. In this article, a modification to this approach has been imposed via an additional functional relationship between the activation energy and heating rate. The methodology has been validated with experimental isochronal crystallization kinetic data in Se 71 Te 20 Sb 9 glass and Ge 20 Te 80 systems. It has been shown that the functional relationship between heating rate and activation energy, ascribed to the reduction in apparent activation energy due to increasing non-isothermality, provides better phenomenological description and therefore improves the prediction capability of the JMAK model under isochronal condition

  5. Chemical kinetic modeling of H{sub 2} applications

    Energy Technology Data Exchange (ETDEWEB)

    Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D. [Lawrence Livermore National Lab., CA (United States)] [and others

    1995-09-01

    Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.

  6. Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study

    KAUST Repository

    Wang, Zhandong

    2015-07-01

    Ethylcyclohexane (ECH) is a model compound for cycloalkanes with long alkyl side-chains. A preliminary investigation on ECH (Wang et al., Proc. Combust. Inst., 35, 2015, 367-375) revealed that an accurate ECH kinetic model with detailed fuel consumption mechanism and aromatic growth pathways, as well as additional ECH pyrolysis and oxidation data with detailed species concentration covering a wide pressure and temperature range are required to understand the ECH combustion kinetics. In this work, the flow reactor pyrolysis of ECH at various pressures (30, 150 and 760Torr) was studied using synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (PIMS) and gas chromatography (GC). The mole fraction profiles of numerous major and minor species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high temperature pyrolysis and oxidation was developed and validated against the pyrolysis and flame data performed in this work. Further validation of the kinetic model is presented against literature data including species concentrations in jet-stirred reactor oxidation, ignition delay times in a shock tube, and laminar flame speeds at various pressures and equivalence ratios. The model well predicts the consumption of ECH, the growth of aromatics, and the global combustion properties. Reaction flux and sensitivity analysis were utilized to elucidate chemical kinetic features of ECH combustion under various reaction conditions. © 2015 The Combustion Institute.

  7. Weld solidification cracking in 304 to 304L stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Hochanadel, Patrick W [Los Alamos National Laboratory; Lienert, Thomas J [Los Alamos National Laboratory; Martinez, Jesse N [Los Alamos National Laboratory; Martinez, Raymond J [Los Alamos National Laboratory; Johnson, Matthew Q [Los Alamos National Laboratory

    2010-01-01

    A series of annulus welds were made between 304 and 304L stainless steel coaxial tubes using both pulsed laser beam welding (LBW) and pulsed gas tungsten arc welding (GTAW). In this application, a change in process from pulsed LBW to pulsed gas tungsten arc welding was proposed to limit the possibility of weld solidification cracking since weldability diagrams developed for GTAW display a greater range of compositions that are not crack susceptible relative to those developed for pulsed LBW. Contrary to the predictions of the GTAW weldability diagram, cracking was found. This result was rationalized in terms of the more rapid solidification rate of the pulsed gas tungsten arc welds. In addition, for the pulsed LBW conditions, the material compositions were predicted to be, by themselves, 'weldable' according to the pulsed LBW weldability diagram. However, the composition range along the tie line connecting the two compositions passed through the crack susceptible range. Microstructurally, the primary solidification mode (PSM) of the material processed with higher power LBW was determined to be austenite (A), while solidification mode of the materials processed with lower power LBW apparently exhibited a dual PSM of both austenite (A) and ferrite-austenite (FA) within the same weld. The materials processed by pulsed GT A W showed mostly primary austenite solidification, with some regions of either primary austenite-second phase ferrite (AF) solidification or primary ferrite-second phase austenite (FA) solidification. This work demonstrates that variations in crack susceptibility may be realized when welding different heats of 'weldable' materials together, and that slight variations in processing can also contribute to crack susceptibility.

  8. Weld solidification cracking in 304 to 204L stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Hochanadel, Patrick W [Los Alamos National Laboratory; Lienert, Thomas J [Los Alamos National Laboratory; Martinez, Jesse N [Los Alamos National Laboratory; Johnson, Matthew Q [Los Alamos National Laboratory

    2010-09-15

    A series of annulus welds were made between 304 and 304L stainless steel coaxial tubes using both pulsed laser beam welding (LBW) and pulsed gas tungsten arc welding (GTAW). In this application, a change in process from pulsed LBW to pulsed gas tungsten arc welding was proposed to limit the possibility of weld solidification cracking since weldability diagrams developed for GTAW display a greater range of compositions that are not crack susceptible relative to those developed for pulsed LBW. Contrary to the predictions of the GTAW weldability diagram, cracking was found.This result was rationalized in terms of the more rapid solidification rate of the pulsed gas tungsten arc welds. In addition, for the pulsed LBW conditions, the material compositions were predicted to be, by themselves, 'weldable' according to the pulsed LBW weldability diagram. However, the composition range along the tie line connecting the two compositions passed through the crack susceptible range. Microstructurally, the primary solidification mode (PSM) of the material processed with higher power LBW was determined to be austenite (A), while solidification mode of the materials processed with lower power LBW apparently exhibited a dual PSM of both austenite (A) and ferrite-austenite (FA) within the same weld. The materials processed by pulsed GTAW showed mostly primary austenite solidification, with some regions of either primary austenite-second phase ferrite (AF) solidification or primary ferrite-second phase austenite (FA) solidification. This work demonstrates that variations in crack susceptibility may be realized when welding different heats of 'weldable' materials together, and that slight variations in processing can also contribute to crack susceptibility.

  9. Elimination of Hot Tears in Steel Castings by Means of Solidification Pattern Optimization

    Science.gov (United States)

    Kotas, Petr; Tutum, Cem Celal; Thorborg, Jesper; Hattel, Jesper Henri

    2012-06-01

    A methodology of how to exploit the Niyama criterion for the elimination of various defects such as centerline porosity, macrosegregation, and hot tearing in steel castings is presented. The tendency of forming centerline porosity is governed by the temperature distribution close to the end of the solidification interval, specifically by thermal gradients and cooling rates. The physics behind macrosegregation and hot tears indicate that these two defects also are dependent heavily on thermal gradients and pressure drop in the mushy zone. The objective of this work is to show that by optimizing the solidification pattern, i.e., establishing directional and progressive solidification with the help of the Niyama criterion, macrosegregation and hot tearing issues can be both minimized or eliminated entirely. An original casting layout was simulated using a transient three-dimensional (3-D) thermal fluid model incorporated in a commercial simulation software package to determine potential flaws and inadequacies. Based on the initial casting process assessment, multiobjective optimization of the solidification pattern of the considered steel part followed. That is, the multiobjective optimization problem of choosing the proper riser and chill designs has been investigated using genetic algorithms while simultaneously considering their impact on centerline porosity, the macrosegregation pattern, and primarily on hot tear formation.

  10. Modelling of Eutectic Saturation Influence on Microstructure in Thin Wall Ductile Iron Casting Using Cellular Automata

    Directory of Open Access Journals (Sweden)

    Burbelko A.A.

    2012-12-01

    Full Text Available The mathematical model of the globular eutectic solidification in 2D was designed. Proposed model is based on the Cellular Automaton Finite Differences (CA-FD calculation method. Model has been used for studies of the primary austenite and of globular eutectic grains growth during the ductile iron solidification in the thin wall casting. Model takes into account, among other things, non-uniform temperature distribution in the casting wall cross-section, kinetics of the austenite and graphite grains nucleation, and non-equilibrium nature of the interphase boundary migration. Calculation of eutectic saturation influence (Sc = 0.9 - 1.1 on microstructure (austenite and graphite fraction, density of austenite and graphite grains and temperature curves in 2 mm wall ductile iron casting has been done.

  11. One-dimensional reactor kinetics model for RETRAN

    International Nuclear Information System (INIS)

    Gose, G.C.; Peterson, C.E.; Ellis, N.L.; McClure, J.A.

    1981-01-01

    This paper describes a one-dimensional spatial neutron kinetics model that was developed for the RETRAN code. The RETRAN -01 code has a point kinetics model to describe the reactor core behavior during thermal-hydraulic transients. A one-dimensional neutronics model has been developed for RETRAN-02. The ability to account for flux shape changes will permit an improved representation of the thermal and hydraulic feedback effects for many operational transients. 19 refs

  12. Rate of solidification of aluminium casting in varying wall thickness of cylindrical metallic moulds

    Directory of Open Access Journals (Sweden)

    Katsina Christopher BALA

    2014-02-01

    Full Text Available The quality of final casting mainly depends on the rate of solidification as rapid solidification produces fine grains structures with better mechanical properties. The analysis of heat transfer during the casting and solidification of aluminium alloy as well as the experimental investigation of the rate of solidification in varying thicknesses of cylindrical metallic mould was carried out. The temperature variation with time of the casting was recorded from which cooling curves were obtained for the determination of solidification time of the cast. The results showed that as the cylindrical mould thickness increases the solidification time decreases due to the chilling effect of the mould.

  13. Solidification Mechanism of the D-Gun Sprayed Fe-Al Particles

    Directory of Open Access Journals (Sweden)

    Wołczyński W.

    2017-12-01

    Full Text Available The detonation gas spraying method is used to study solidification of the Fe-40Al particles after the D-gun spraying and settled on the water surface. The solidification is divided into two stages. First, the particle solid shell forms during the particle contact with the surrounding air / gas. Usually, the remaining liquid particle core is dispersed into many droplets of different diameter. A single Fe-Al particle is described as a body subjected to a rotation and finally to a centrifugal force leading to segregation of iron and aluminum. The mentioned liquid droplets are treated as some spheres rotated freely / chaotically inside the solid shell of the particle and also are subjected to the centrifugal force. The centrifugal force, and first of all, the impact of the particles onto the water surface promote a tendency for making punctures in the particles shell. The droplets try to desert / abandon the mother-particles through these punctures. Some experimental evidences for this phenomenon are delivered. It is concluded that the intensity of the mentioned phenomenon depends on a given droplet momentum. The droplets solidify rapidly during their settlement onto the water surface at the second stage of the process under consideration. A model for the solidification mechanism is delivered.

  14. Numerical study on morphology and solidification characteristics of successive droplet depositions on a substrate

    Science.gov (United States)

    Adaikalanathan, Vimalan

    Successive droplet impingement finds extensive applications in additive manufacturing technologies such as 3D printing, Liquid Metal Jetting and Net Form Manufacturing. Deposition, deformation and solidification of droplets are the constitutive stages in the process which determine the final outcome. Detailed knowledge about the flow behaviour, phase transformation and free surface deformation is required to have a complete understanding and optimization of the process parameters. Experimental research in this field is only limited to imaging techniques and post solidification analysis which only provide superficial information while overlooking most of the governing phenomenon. Knowledge of the physics governing the fluid and thermal behaviours can be applied to study the process with real time data pertaining to flow field, temperature profiles and solidification. However, free surface tracking, surface tension modelling, non-isothermal solidification and convection dominant heat transfer pose mathematical challenges in the solution of the governing equations. Moreover, deposition of droplets on pre-solidified splats or non-flat surfaces requires accurate special attention. The objective of the present work is to model the successive droplet impacts and simultaneous solidification and deformation. The highly non-linear flow field governed by the Navier Stokes equation is solved using a Two Step Projection method. The surface tension effects are accounted for through a Continuum Surface Force technique. One of the crucial elements in the study is the interface tracking algorithm. A Coupled Level Set Volume of Fluid (CLSVOF) method is formulated to give an accurate orientation of the drastically deforming interface and also facilitates generation of multiple droplets in a fixed domain at a user defined frequency, thereby conserving computational resources. The phase change is modelled using an enthalpy formulation of the energy equation with an implicit source term

  15. Solidification at the High and Low Rate Extreme

    Energy Technology Data Exchange (ETDEWEB)

    Meco, Halim [Iowa State Univ., Ames, IA (United States)

    2004-12-19

    The microstructures formed upon solidification are strongly influenced by the imposed growth rates on an alloy system. Depending on the characteristics of the solidification process, a wide range of growth rates is accessible. The prevailing solidification mechanisms, and thus the final microstructure of the alloy, are governed by these imposed growth rates. At the high rate extreme, for instance, one can have access to novel microstructures that are unattainable at low growth rates. While the low growth rates can be utilized for the study of the intrinsic growth behavior of a certain phase growing from the melt. Although the length scales associated with certain processes, such as capillarity, and the diffusion of heat and solute, are different at low and high rate extremes, the phenomena that govern the selection of a certain microstructural length scale or a growth mode are the same. Consequently, one can analyze the solidification phenomena at both high and low rates by using the same governing principles. In this study, we examined the microstructural control at both low and high extremes. For the high rate extreme, the formation of crystalline products and factors that control the microstructure during rapid solidification by free-jet melt spinning are examined in Fe-Si-B system. Particular attention was given to the behavior of the melt pool at different quench-wheel speeds. Since the solidification process takes place within the melt-pool that forms on the rotating quench-wheel, we examined the influence of melt-pool dynamics on nucleation and growth of crystalline solidification products and glass formation. High-speed imaging of the melt-pool, analysis of ribbon microstructure, and measurement of ribbon geometry and surface character all indicate upper and lower limits for melt-spinning rates for which nucleation can be avoided, and fully amorphous ribbons can be achieved. Comparison of the relevant time scales reveals that surface-controlled melt

  16. Defect generation during solidification of aluminium foams

    International Nuclear Information System (INIS)

    Mukherjee, M.; Garcia-Moreno, F.; Banhart, J.

    2010-01-01

    The reason for the frequent occurrence of cell wall defects in metal foams was investigated. Aluminium foams often expand during solidification, a process which is referred as solidification expansion (SE). The effect of SE on the structure of aluminium foams was studied in situ by X-ray radioscopy and ex situ by X-ray tomography. A direct correlation between the magnitude of SE and the number of cell wall ruptures during SE and finally the number of defects in the solidified foams was found.

  17. Plastic solidification system for radioactive waste

    International Nuclear Information System (INIS)

    Kani, Jiro; Irie, Hiromitsu; Obu, Etsuji; Nakayama, Yasuyuki; Matsuura, Hiroyuki.

    1979-01-01

    The establishment of a new solidification system is an important theme for recent radioactive-waste disposal systems. The conditions required of new systems are: (1) the volume of the solidified product to be reduced, and (2) the property of the solidified product to be superior to the conventional ones. In the plastic solidification system developed by Toshiba, the waste is first dried and then solidified with thermosetting resin. It has been confirmed that the property of the plastic solidified product is superior to that of the cement-or bitumen-solidified product. Investigation from various phases is being carried on for the application of this method to commercial plants. (author)

  18. Cellular interface morphologies in directional solidification. III - The effects of heat transfer and solid diffusivity

    Science.gov (United States)

    Ungar, Lyle H.; Bennett, Mark J.; Brown, Robert A.

    1985-01-01

    The shape and stability of two-dimensional finite-amplitude cellular interfaces arising during directional solidification are compared for several solidification models that account differently for latent heat released at the interface, unequal thermal conductivities of melt and solid, and solute diffusivity in the solid. Finite-element analysis and computer-implemented perturbation methods are used to analyze the families of steadily growing cellular forms that evolve from the planar state. In all models a secondary bifurcation between different families of finite-amplitude cells exists that halves the spatial wavelength of the stable interface. The quantitative location of this transition is very dependent on the details of the model. Large amounts of solute diffusion in the solid retard the growth of large-amplitude cells.

  19. Modeling of complex melting and solidification behavior in laser-irradiated materials [a description and users guide to the LASER8 computer program

    International Nuclear Information System (INIS)

    Geist, G.A.; Wood, R.F.

    1985-11-01

    The conceptual foundation of a computational model and a computer program based on it have been developed for treating various aspects of the complex melting and solidification behavior observed in pulsed laser-irradiated materials. A particularly important feature of the modeling is the capability of allowing melting and solidification to occur at temperatures other than the thermodynamic phase change temperatures. As a result, interfacial undercooling and overheating can be introduced and various types of nucleation events can be simulated. Calculations on silicon with the model have shown a wide variety of behavior, including the formation and propagation of multiple phase fronts. Although originally developed as a tool for studying certain problems arising in the field of laser annealing of semiconductors, the program should be useful in treating many types of systems in which phase changes and nucleation phenomena play important roles. This report describes the underlying physical and mathematical ideas and the basic relations used in LASER8. It also provides enough specific and detailed information on the program to serve as a guide for its use; a listing of one version of the program is given

  20. Modeling chemical kinetics graphically

    NARCIS (Netherlands)

    Heck, A.

    2012-01-01

    In literature on chemistry education it has often been suggested that students, at high school level and beyond, can benefit in their studies of chemical kinetics from computer supported activities. Use of system dynamics modeling software is one of the suggested quantitative approaches that could

  1. Analysis of a kinetic multi-segment foot model part II: kinetics and clinical implications.

    Science.gov (United States)

    Bruening, Dustin A; Cooney, Kevin M; Buczek, Frank L

    2012-04-01

    Kinematic multi-segment foot models have seen increased use in clinical and research settings, but the addition of kinetics has been limited and hampered by measurement limitations and modeling assumptions. In this second of two companion papers, we complete the presentation and analysis of a three segment kinetic foot model by incorporating kinetic parameters and calculating joint moments and powers. The model was tested on 17 pediatric subjects (ages 7-18 years) during normal gait. Ground reaction forces were measured using two adjacent force platforms, requiring targeted walking and the creation of two sub-models to analyze ankle, midtarsal, and 1st metatarsophalangeal joints. Targeted walking resulted in only minimal kinematic and kinetic differences compared with walking at self selected speeds. Joint moments and powers were calculated and ensemble averages are presented as a normative database for comparison purposes. Ankle joint powers are shown to be overestimated when using a traditional single-segment foot model, as substantial angular velocities are attributed to the mid-tarsal joint. Power transfer is apparent between the 1st metatarsophalangeal and mid-tarsal joints in terminal stance/pre-swing. While the measurement approach presented here is limited to clinical populations with only minimal impairments, some elements of the model can also be incorporated into routine clinical gait analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

  2. Study of growth kinetics in melt-textured YBa2Cu3O7-x

    International Nuclear Information System (INIS)

    Athur, S.P.; Selvamanickam, V.; Balachandran, U.; Salama, K.

    1996-01-01

    Directional solidification has been shown to be a successful way of achieving high current densities in bulk YBCO. The lack of understanding of the growth kinetics, however, makes it difficult to fabricate longer samples and reduce the processing times. To study the growth kinetics, quenching experiments of undoped YBa 2 Cu 3 O 7-x (Y-123) and Y-123 doped with Pt and Nd from above the peritectic temperature with different holding times, t, were conducted. The results of these experiments indicate that the average 211 particle size varies as t 1/3 . Growth rate experiments were also conducted on these samples to determine the maximum growth rate for plane front solidification, R max . This quantity was measured for undoped and doped Y-123 and its was found that the addition of Pt did not increase R max while the addition of Nd doubled the growth rate. Using the coarsening results together with the growth rate experiments, the diffusivity of Y in liquid and the 211-liquid interfacial energy for undoped and doped Y-123 were calculated. copyright 1996 Materials Research Society

  3. Homogenizing Advanced Alloys: Thermodynamic and Kinetic Simulations Followed by Experimental Results

    Science.gov (United States)

    Jablonski, Paul D.; Hawk, Jeffrey A.

    2017-01-01

    Segregation of solute elements occurs in nearly all metal alloys during solidification. The resultant elemental partitioning can severely degrade as-cast material properties and lead to difficulties during post-processing (e.g., hot shorts and incipient melting). Many cast articles are subjected to a homogenization heat treatment in order to minimize segregation and improve their performance. Traditionally, homogenization heat treatments are based upon past practice or time-consuming trial and error experiments. Through the use of thermodynamic and kinetic modeling software, NETL has designed a systematic method to optimize homogenization heat treatments. Use of the method allows engineers and researchers to homogenize casting chemistries to levels appropriate for a given application. The method also allows for the adjustment of heat treatment schedules to fit limitations on in-house equipment (capability, reliability, etc.) while maintaining clear numeric targets for segregation reduction. In this approach, the Scheil module within Thermo-Calc is used to predict the as-cast segregation present within an alloy, and then diffusion controlled transformations is used to model homogenization kinetics as a function of time and temperature. Examples of computationally designed heat treatments and verification of their effects on segregation and properties of real castings are presented.

  4. Instabilities in rapid directional solidification under weak flow

    Science.gov (United States)

    Kowal, Katarzyna N.; Davis, Stephen H.; Voorhees, Peter W.

    2017-12-01

    We examine a rapidly solidifying binary alloy under directional solidification with nonequilibrium interfacial thermodynamics viz. the segregation coefficient and the liquidus slope are speed dependent and attachment-kinetic effects are present. Both of these effects alone give rise to (steady) cellular instabilities, mode S , and a pulsatile instability, mode P . We examine how weak imposed boundary-layer flow of magnitude |V | affects these instabilities. For small |V | , mode S becomes a traveling and the flow stabilizes (destabilizes) the interface for small (large) surface energies. For small |V | , mode P has a critical wave number that shifts from zero to nonzero giving spatial structure. The flow promotes this instability and the frequencies of the complex conjugate pairs each increase (decrease) with flow for large (small) wave numbers. These results are obtained by regular perturbation theory in powers of V far from the point where the neutral curves cross, but requires a modified expansion in powers of V1 /3 near the crossing. A uniform composite expansion is then obtained valid for all small |V | .

  5. Solidification technique of radioactive elements. Research using zirconium phosphates

    International Nuclear Information System (INIS)

    Nakayama, Susumu; Ito, Katsuhiko

    2005-01-01

    Proton type zirconium phosphates HZr 2 (PO 4 ) 3 , NASICON type three-dimensional net work structure, is used for solidification of Cs in the high level radioactive waste. Two kinds of solidification methods such as the dry method and autoclave method are explained. Cs ion entered into 0.6nm space of HZr 2 (PO 4 ) 3 , and formed ionic bonding, which made the difficult situation to remove. When mixture of HZr 2 (PO 4 ) 3 and 23 kinds of M(NO 3 )n (M= Li, Na, K, Pb, Sr, Bi, Y, Mg, Ca, Sc, Mn, Fe, Co, Ni, Cu, Zn, Ag, Cd, Ba, La, Ce, Tl, and Pb; n=1,2 or 3) was treated at 400-700degC by dry method, solidification of the subject metals was succeeded. Amount of solidification of Cs by autoclave at 250degC is almost same as the dry method and its leachability resistance increased 40 times than that of dry method after heat treatment in atmosphere at 700degC. (S.Y.)

  6. A dendritic solidification experiment under large gravity - implications for the Earth's inner core solidification regime.

    Science.gov (United States)

    Deguen, R.; Alboussière, T.; Brito, D.; La Rizza, P.; Masson, J.

    2009-05-01

    The Earth's inner core solidification regime is usually thought to be dendritic, which should results in the formation of a mushy layer at the inner core boundary, possibly extending deep in the inner core. The release of latent heat and solute associated with crystallization provides an important boyancy source to drive thermo- chemical convection in the core. In the laboratory, two modes of convection associated with the crystallization of mushy layers have been observed. One is a boundary layer mode originating from the destabilisation of the chemical boundary layer present at the mush-liquid interface; the second is the so-called 'mushy layer mode' which involves the whole mushy layer. In the mushy layer mode, convection usually takes the form of narrow plumes rising through crystal free conduits called chimneys. One particularity of inner core crystallization is its extremely small solidification rate compared to typical outer core convective timescales. We have designed and build an experiment devoted to the study of crystallization under a large gravity field, using a centrifuge, of an aqueous solution of ammonium chloride, which is a good analogue to metallic alloys. The large gravity field allows to reach Rayleigh numbers much larger than in typical solidification experiments. Under large gravity fields, we observe the disappearance of chimney convection and show that the large gravity field promotes the boundary layer convection mode at the expent of the mushy layer mode. As the gravitationnal forcing is increased, convective heat and solute transport are significantly enhanced, which results in larger solid fraction directly below the mush-liquid interface. The increase in solid fraction results in a dramatic decrease of the permeability in the mushy layer, which eventually becomes subcritical in respect to the mushy layer mode. Because of the very slow solidification rate of the inner core, convective transport of heat and solute from the ICB is

  7. Grain Floatation During Equiaxed Solidification of an Al-Cu Alloy in a Side-Cooled Cavity: Part II—Numerical Studies

    Science.gov (United States)

    Kumar, Arvind; Walker, Mike J.; Sundarraj, Suresh; Dutta, Pradip

    2011-08-01

    In this article, a single-phase, one-domain macroscopic model is developed for studying binary alloy solidification with moving equiaxed solid phase, along with the associated transport phenomena. In this model, issues such as thermosolutal convection, motion of solid phase relative to liquid and viscosity variations of the solid-liquid mixture with solid fraction in the mobile zone are taken into account. Using the model, the associated transport phenomena during solidification of Al-Cu alloys in a rectangular cavity are predicted. The results for temperature variation, segregation patterns, and eutectic fraction distribution are compared with data from in-house experiments. The model predictions compare well with the experimental results. To highlight the influence of solid phase movement on convection and final macrosegregation, the results of the current model are also compared with those obtained from the conventional solidification model with stationary solid phase. By including the independent movement of the solid phase into the fluid transport model, better predictions of macrosegregation, microstructure, and even shrinkage locations were obtained. Mechanical property prediction models based on microstructure will benefit from the improved accuracy of this model.

  8. A kinetic model for the penicillin biosynthetic pathway in

    DEFF Research Database (Denmark)

    Nielsen, Jens; Jørgensen, Henrik

    1996-01-01

    A kinetic model for the first two steps in the penicillin biosynthetic pathway, i.e. the ACV synthetase (ACVS) and the isopenicillin N synthetase (IPNS) is proposed. The model is based on Michaelis-Menten type kinetics with non-competitive inhibition of the ACVS by ACV, and competitive inhibition...... of the IPNS by glutathione. The model predicted flux through the pathway corresponds well with the measured rate of penicillin biosynthesis. From the kinetic model the elasticity coefficients and the flux control coefficients are calculated throughout a fed-batch cultivation, and it is found...

  9. Simulation of the as-cast structure of Al-4.0wt.%Cu ingots with a 5-phase mixed columnar-equiaxed solidification model

    International Nuclear Information System (INIS)

    Wu, M; Ahmadein, M; Kharicha, A; Ludwig, A; Li, J H; Schumacher, P

    2012-01-01

    Empirical knowledge about the formation of the as-cast structure, mostly obtained before 1980s, has revealed two critical issues: one is the origin of the equiaxed crystals; one is the competing growth of the columnar and equiaxed structures, and the columnar-to-equiaxed transition (CET). Unfortunately, the application of empirical knowledge to predict and control the as-cast structure was very limited, as the flow and crystal transport were not considered. Therefore, a 5-phase mixed columnar-equiaxed solidification model was recently proposed by the current authors based on modeling the multiphase transport phenomena. The motivation of the recent work is to determine and evaluate the necessary modeling parameters, and to validate the mixed columnar-equiaxed solidification model by comparison with laboratory castings. In this regard an experimental method was recommended for in-situ determination of the nucleation parameters. Additionally, some classical experiments of the Al-Cu ingots were conducted and the as-cast structural information including distinct columnar and equiaxed zones, macrosegregation, and grain size distribution were analysed. The final simulation results exhibited good agreement with experiments in the case of high pouring temperature, whereas disagreement in the case of low pouring temperature. The reasons for the disagreement are discussed.

  10. Simulation of the as-cast structure of Al-4.0wt.%Cu ingots with a 5-phase mixed columnar-equiaxed solidification model

    Science.gov (United States)

    Wu, M.; Ahmadein, M.; Kharicha, A.; Ludwig, A.; Li, J. H.; Schumacher, P.

    2012-07-01

    Empirical knowledge about the formation of the as-cast structure, mostly obtained before 1980s, has revealed two critical issues: one is the origin of the equiaxed crystals; one is the competing growth of the columnar and equiaxed structures, and the columnar-to-equiaxed transition (CET). Unfortunately, the application of empirical knowledge to predict and control the as-cast structure was very limited, as the flow and crystal transport were not considered. Therefore, a 5-phase mixed columnar-equiaxed solidification model was recently proposed by the current authors based on modeling the multiphase transport phenomena. The motivation of the recent work is to determine and evaluate the necessary modeling parameters, and to validate the mixed columnar-equiaxed solidification model by comparison with laboratory castings. In this regard an experimental method was recommended for in-situ determination of the nucleation parameters. Additionally, some classical experiments of the Al-Cu ingots were conducted and the as-cast structural information including distinct columnar and equiaxed zones, macrosegregation, and grain size distribution were analysed. The final simulation results exhibited good agreement with experiments in the case of high pouring temperature, whereas disagreement in the case of low pouring temperature. The reasons for the disagreement are discussed.

  11. A kinetic model for chemical neurotransmission

    Science.gov (United States)

    Ramirez-Santiago, Guillermo; Martinez-Valencia, Alejandro; Fernandez de Miguel, Francisco

    Recent experimental observations in presynaptic terminals at the neuromuscular junction indicate that there are stereotyped patterns of cooperativeness in the fusion of adjacent vesicles. That is, a vesicle in hemifusion process appears on the side of a fused vesicle and which is followed by another vesicle in a priming state while the next one is in a docking state. In this talk we present a kinetic model for this morphological pattern in which each vesicle state previous to the exocytosis is represented by a kinetic state. This chain states kinetic model can be analyzed by means of a Master equation whose solution is simulated with the stochastic Gillespie algorithm. With this approach we have reproduced the responses to the basal release in the absence of stimulation evoked by the electrical activity and the phenomena of facilitation and depression of neuromuscular synapses. This model offers new perspectives to understand the underlying phenomena in chemical neurotransmission based on molecular interactions that result in the cooperativity between vesicles during neurotransmitter release. DGAPA Grants IN118410 and IN200914 and Conacyt Grant 130031.

  12. Solidification microstructures in a short fiber reinforced alloy composite containing different fiber fractions

    Directory of Open Access Journals (Sweden)

    JING Qing-xiu

    2006-02-01

    Full Text Available The solidification microstructures and micro-segregation of a fiber reinforced Al-9 Cu alloy, containing different volume fractions of Al2O3 short fibers about 6 μm diameter and made by squeeze casting have been studied. The results indicate that as volume fraction of fiber Vf increases, the size of final grains becomes finer in the matrix. If λf /λ>1, the fibers have almost no influence on the solidification behavior of the matrix, so the final grains grow coarse, where λf is the average inter-fiber spacing and λ is the secondary dendrite arm spacing. While if λf /λ<1, the growth of crystals in the matrix is affected significantly by the fibers and the grain size is reduced to the value of the inter-fiber spacing. The fibers influence the average length of a solidification volume element L of the matrix and also influence the solidification time θt of the matrix. As a result of fibers influencing L and θt, the micro-segregation in the matrix is improved when the composite contains more fibers, although the level of the improvement is slight. The Clyne-Kurz model can be used to semi-quantitatively analyze the relationship between Vf and the volume fraction fe of the micro-segregation eutectic structure.

  13. MODELING STYRENE HYDROGENATION KINETICS USING PALLADIUM CATALYSTS

    Directory of Open Access Journals (Sweden)

    G. T. Justino

    Full Text Available Abstract The high octane number of pyrolysis gasoline (PYGAS explains its insertion in the gasoline pool. However, its use is troublesome due to the presence of gum-forming chemicals which, in turn, can be removed via hydrogenation. The use of Langmuir-Hinshelwood kinetic models was evaluated for hydrogenation of styrene, a typical gum monomer, using Pd/9%Nb2O5-Al2O3 as catalyst. Kinetic models accounting for hydrogen dissociative and non-dissociative adsorption were considered. The availability of one or two kinds of catalytic sites was analyzed. Experiments were carried out in a semi-batch reactor at constant temperature and pressure in the absence of transport limitations. The conditions used in each experiment varied between 16 - 56 bar and 60 - 100 ºC for pressure and temperature, respectively. The kinetic models were evaluated using MATLAB and EMSO software. Models using adsorption of hydrogen and organic molecules on the same type of site fitted the data best.

  14. Choosing solidification or vitrification for low-level radioactive and mixed waste treatment

    International Nuclear Information System (INIS)

    Gimpel, R.F.

    1992-01-01

    Solidification (making concrete) and vitrification (making glass) are frequently the treatment methods recommended for treating inorganic or radioactive wastes. Solidification is generally perceived as the most economical treatment method. Whereas, vitrification is considered (by many) as the most effective of all treatment methods. Unfortunately, vitrification has acquired the stigma that it is too expensive to receive further consideration as an alternative to solidification in high volume treatment applications. Ironically, economic studies, as presented in this paper, show that vitrification may be more competitive in some high volume applications. Ex-situ solidification and vitrification are the competing methods for treating in excess of 450 000m 3 of low-level radioactive and mixed waste at the Fernald Environmental Management Project (FEMP or simply, Fernald) located near Cincinnati, Ohio. This paper summarizes how Fernald is choosing between solidification and vitrification as the primary waste treatment method

  15. Choosing solidification or vitrification for low-level radioactive and mixed waste treatment

    International Nuclear Information System (INIS)

    Gimpel, R.F.

    1992-01-01

    Solidification (making concrete) and vitrification (making glass) are frequently the treatment methods recommended for treating inorganic or radioactive wastes. Solidification is generally perceived as the most economical treatment method. Whereas, vitrification is considered (by many) as the most effective of all treatment methods. Unfortunately, vitrification has acquired the stigma that it is too expensive to receive further consideration as an alternative to solidification in high volume treatment applications. Ironically, economic studies, as presented in this paper, show that vitrification may be more competitive in some high volume applications. Ex-situ solidification and vitrification are the competing methods for treating in excess of 450,000 m 3 of low-level radioactive and mixed waste at the Fernald Environmental Management Project (FEMP or simply, Fernald) located near Cincinnati, Ohio. This paper summarized how Fernald is choosing between solidification and vitrification as the primary waste treatment method

  16. Development of sodium disposal technology. Experiment of sodium compound solidification process

    International Nuclear Information System (INIS)

    Matsumoto, Toshiyuki; Ohura, Masato; Yatoh, Yasuo

    2007-07-01

    A large amount of sodium containing radioactive waste will come up at the time of final shutdown/decommission of FBR plant. The radioactive waste is managed as solid state material in a closed can in Japan. As for the sodium, there is no established method to convert the radioactive sodium to solid waste. Further, the sodium is highly reactive. Thus, it is recommended to convert the sodium to a stable substance before the solidification process. One of the stabilizing methods is conversion of sodium into sodium hydroxide solution. These stabilization and solidification processes should be safe, economical, and efficient. In order to develop such sodium disposal technology, nonradioactive sodium was used and a basic experiment was performed. Waste-fluid Slag Solidification method was employed as the solidification process of sodium hydroxide solution. Experimental parameters were mixing ratio of the sodium hydroxide and the slag solidification material, temperature and concentration of the sodium hydroxide. The best parameters were obtained to achieve the maximum filling ratio of the sodium hydroxide under a condition of enough high compressive strength of the solidified waste. In a beaker level test, the solidified waste was kept in a long term and it was shown that there was no change of appearance, density, and also the compressive strength was kept at a target value. In a real scale test, homogeneous profiles of the density and the compressive strength were obtained. The compressive strength was higher than the target value. It was shown that the Waste-fluid Slag Solidification method can be applied to the solidification process of the sodium hydroxide solution, which was produced by the stabilization process. (author)

  17. Fractal growth in impurity-controlled solidification in lipid monolayers

    DEFF Research Database (Denmark)

    Fogedby, Hans C.; Sørensen, Erik Schwartz; Mouritsen, Ole G.

    1987-01-01

    A simple two-dimensional microscopic model is proposed to describe solidifcation processes in systems with impurities which are miscible only in the fluid phase. Computer simulation of the model shows that the resulting solids are fractal over a wide range of impurity concentrations and impurity...... diffusional constants. A fractal-forming mechanism is suggested for impurity-controlled solidification which is consistent with recent experimental observations of fractal growth of solid phospholipid domains in monolayers. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....

  18. Solidification of ash from incineration of low-level radioactive waste

    International Nuclear Information System (INIS)

    Roberson, W.A.; Albenesius, E.L.; Becker, G.W.

    1983-01-01

    The safe disposal of both high-level and low-level radioactive waste is a problem of increasing national attention. A full-scale incineration and solidification process to dispose of suspect-level and low-level beta-gamma contaminated combustible waste is being demonstrated at the Savannah River Plant (SRP) and Savannah River Laboratory (SRL). The stabilized wasteform generated by the process will meet or exceed all future anticipated requirements for improved disposal of low-level waste. The incineration process has been evaluated at SRL using nonradioactive wastes, and is presently being started up in SRP to process suspect-level radioactive wastes. A cement solidification process for incineration products is currently being evaluated by SRL, and will be included with the incineration process in SRP during the winter of 1984. The GEM alumnus author conducted research in a related disposal solidification program during the GEM-sponsored summer internship, and upon completion of the Masters program, received full-time responsibility for developing the incineration products solidification process

  19. Toxic and hazardous waste disposal. Volume 1. Processes for stabilization/solidification

    International Nuclear Information System (INIS)

    Pojasek, R.B.

    1979-01-01

    Processes for the stabilization and/or solidification of toxic, hazardous, and radioactive wastes are reviewed. The types of wastes classified as hazardous are defined. The following processes for the solidification of hazardous wastes are described: lime-based techniques; thermoplastic techniques; organic polymer techniques; and encapsulation. The following processes for the solidification of high-level radioactive wastes are described: calcination; glassification; and ceramics. The solidification of low-level radioactive wastes with asphalt, cement, and polymeric materials is also discussed. Other topics covered include: the use of an extruder/evaporator to stabilize and solidify hazardous wastes; effect disposal of fine coal refuse and flue gas desulfurization slurries using Calcilox additive stabilization; the Terra-Tite Process; the Petrifix Process; the SFT Terra-Crete Process; Sealosafe Process; Chemfix Process; and options for disposal of sulfur oxide wastes

  20. A mathematical model for iodine kinetics

    International Nuclear Information System (INIS)

    Silva, E.A.T. da.

    1976-01-01

    A mathematical model for the iodine kinetics in thyroid is presented followed by its analytical solution. An eletroanalogical model is also developed for a simplified stage and another is proposed for the main case [pt

  1. Effects Disposal Condition and Ground Water to Leaching Rate of Radionuclides from Solidification Products

    International Nuclear Information System (INIS)

    Herlan Martono; Wati

    2008-01-01

    Effects disposal condition and ground water to leaching rate of radionuclides from solidification products have been studied. The aims of leaching test at laboratory to get the best composition of solidified products for continuous process or handling. The leaching rate of radionuclides from the many kinds of matrix from smallest to bigger are glass, thermosetting plastic, urea formaldehyde, asphalt, and cement. Glass for solidification of high level waste, thermosetting plastic and urea formaldehyde for solidification of low and intermediate waste, asphalt and cement for solidification of low and intermediate level waste. In shallow land burial, ground water rate is fast, debit is high, and high permeability, so the probability contact between solidification products and ground water is occur. The pH of ground water increasing leaching rate, but cation in the ground water retard leaching rate. Effects temperature radiation and radiolysis to solidification products is not occur. In the deep repository, ground water rate is slow, debit is small, and low permeability, so the probability contact between solidification products and ground water is very small. There are effect cooling time and distance between pits to rock temperature. Alfa radiation effects can be occur, but there is no contact between solidification products and ground water, so that there is not radiolysis. (author)

  2. Developments in kinetic modelling of chalcocite particle oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Jaervi, J; Ahokainen, T; Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1998-12-31

    A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.

  3. Developments in kinetic modelling of chalcocite particle oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Jaervi, J.; Ahokainen, T.; Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1997-12-31

    A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.

  4. Effect of chemical composition and cooling conditions on solidification hot cracking of Ni-based alloys

    International Nuclear Information System (INIS)

    De Vito, Sophie

    2000-01-01

    Ni-based alloys 690 present solidification hot cracks during welding of vapour generators. Hot cracks are qualitatively known to be due to the formation of inter-dendritic liquid films and of secondary phases down to low temperatures. This study aims at establishing the link between thermodynamics, solidification and hot cracking. Experimental solidification paths of high purity alloys (with varying Nb and Si contents) are obtained from quenching during directional solidification and TIG-welding experiments. They are compared to Thermo-Calc computations, assuming no diffusion in the solid. From directional solidification samples, good agreement between computed and experimental solidification paths is shown in the quenched liquid. Secondary arms of dendrites are affected by solid state diffusion of Nb. Combined effect of diffusion and solute build-up in the liquid phase modifies micro-segregation in the solid region. Solidification paths from welding specimens are similar to those of the solid region of quenched samples. Nb solid state diffusion is negligible but undercooling compensates the effect of solid state diffusion in directional solidification. Evolution of liquid fraction at the end of the solidification is in accordance with the hot cracking classification of the alloys. Nb favours formation of inter-dendritic liquid films and eutectic-like phases down to low temperature. (author) [fr

  5. Effect of current and atomized grain size distribution on the solidification of Plasma Transferred Arc coatings

    Directory of Open Access Journals (Sweden)

    Danielle Bond

    2012-10-01

    Full Text Available Plasma Transferred Arc (PTA is the only thermal spray process that results in a metallurgical bond, being frequently described as a hardfacing process. The superior properties of coatings have been related to the fine microstructures obtained, which are finer than those processed under similar heat input with welding techniques using wire feedstock. This observation suggests that the atomized feedstock plays a role on the solidification of coatings. In this study a model for the role of the powders grains in the solidification of PTA coatings is put forward and discussed. An experiment was setup to discuss the model which involved the deposition of an atomized Co-based alloy with different grain size distributions and deposition currents. X ray diffraction showed that there were no phase changes due to the processing parameters. Microstructure analysis by Laser Confocal Microscopy, dilution with the substrate steel and Vickers microhardness were used the characterized coatings and enriched the discussion confirming the role of the powdered feedstock on the solidification of coatings.

  6. A kinetic model for hydrodesulfurisation

    Energy Technology Data Exchange (ETDEWEB)

    Sau, M.; Narasimhan, C.S.L.; Verma, R.P. [Indian Oil Corporation Limited, Research and Development Centre, Faridabad (India)

    1997-07-01

    Due to stringent environmental considerations and related insistence on low sulfur fuels, hydrodesulfurisation has emerged as an important component of any refining scheme globally. The process is used ranging from Naphta/Kerosine hydrotreating to heavy oil hydrotreating. Processes such as Deep gas oil desulfurisation aiming at reduction of sulfur levels to less than 500 ppm have emerged as major players in the scenario. Hydrodesulfurisation (HDS) involves parallel desulfurisation of different organo-sulfur compounds present in the complex petroleum mixtures. In order to design, monitor, optimise and control the HDS reactor, it is necessary to have a detailed, yet simple model which follows the reaction chemistry accurately. In the present paper, a kinetic model is presented for HDS using continuum theory of lumping. The sulfur distribution in the reaction mixture is treated as continuum and parallel reaction networks are devised for kinetic modelling using continuum theory of lumping approach. The model based on the above approach follows the HDS chemistry reasonably well and hence the model parameters are almost feed invariant. Methods are also devised to incorporate heat and pressure effects into the model. The model has been validated based on commercial kero-HDS data. It is found that the model predictions agree with the experimental/commercial data. 17 refs.

  7. Autonomous Optimization of a Solidification Pattern and Its Effect on Porosity and Segregation in Steel Castings

    DEFF Research Database (Denmark)

    Kotas, Petr; Tutum, Cem Celal; Hattel, Jesper Henri

    2011-01-01

    The present paper considers optimization of a solidification pattern of a gravity sand-cast steel part. That is, the choice of proper riser and chill designs has been investigated using genetic algorithms while simultaneously considering their impact on centerline porosity and macrosegregation...... distribution. This was accomplished by coupling a casting simulation software package with an optimization module. The casting process of the original casting design was simulated using a transient 3D thermal model incorporated in a commercial simulation software package to determine potential flaws...... and inadequacies. After this initial assessment, a new geometrical model was suggested with the redesigned gating system and rearranged chills to obtain better filling and solidification patterns. Based on the improved model, relevant optimization targets and constraints were defined. One multi...

  8. Nuclear waste solidification

    Science.gov (United States)

    Bjorklund, William J.

    1977-01-01

    High level liquid waste solidification is achieved on a continuous basis by atomizing the liquid waste and introducing the atomized liquid waste into a reaction chamber including a fluidized, heated inert bed to effect calcination of the atomized waste and removal of the calcined waste by overflow removal and by attrition and elutriation from the reaction chamber, and feeding additional inert bed particles to the fluidized bed to maintain the inert bed composition.

  9. Nuclear waste solidification

    International Nuclear Information System (INIS)

    Bjorklund, W.J.

    1977-01-01

    High level liquid waste solidification is achieved on a continuous basis by atomizing the liquid waste and introducing the atomized liquid waste into a reaction chamber including a fluidized, heated inert bed to effect calcination of the atomized waste and removal of the calcined waste by overflow removal and by attrition and elutriation from the reaction chamber, and feeding additional inert bed particles to the fluidized bed to maintain the inert bed composition

  10. Kinetics model development of cocoa bean fermentation

    Science.gov (United States)

    Kresnowati, M. T. A. P.; Gunawan, Agus Yodi; Muliyadini, Winny

    2015-12-01

    Although Indonesia is one of the biggest cocoa beans producers in the world, Indonesian cocoa beans are oftenly of low quality and thereby frequently priced low in the world market. In order to improve the quality, adequate post-harvest cocoa processing techniques are required. Fermentation is the vital stage in series of cocoa beans post harvest processing which could improve the quality of cocoa beans, in particular taste, aroma, and colours. During the fermentation process, combination of microbes grow producing metabolites that serve as the precursors for cocoa beans flavour. Microbial composition and thereby their activities will affect the fermentation performance and influence the properties of cocoa beans. The correlation could be reviewed using a kinetic model that includes unstructured microbial growth, substrate utilization and metabolic product formation. The developed kinetic model could be further used to design cocoa bean fermentation process to meet the expected quality. Further the development of kinetic model of cocoa bean fermentation also serve as a good case study of mixed culture solid state fermentation, that has rarely been studied. This paper presents the development of a kinetic model for solid-state cocoa beans fermentation using an empirical approach. Series of lab scale cocoa bean fermentations, either natural fermentations without starter addition or fermentations with mixed yeast and lactic acid bacteria starter addition, were used for model parameters estimation. The results showed that cocoa beans fermentation can be modelled mathematically and the best model included substrate utilization, microbial growth, metabolites production and its transport. Although the developed model still can not explain the dynamics in microbial population, this model can sufficiently explained the observed changes in sugar concentration as well as metabolic products in the cocoa bean pulp.

  11. Kinetic and thermodynamic modelling of TBP synthesis processes

    International Nuclear Information System (INIS)

    Azzouz, A.; Attou, M.

    1989-02-01

    The present paper deals with kinetic and thermodynamic modellisation of tributylphosphate (TBP) synthesis processes. Its aim consists in a purely comparative study of two different synthesis ways i.e. direct and indirect estirification of butanol. The methodology involves two steps. The first step consists in approximating curves which describe the process evolution and their dependence on the main parameters. The results gave a kinetic model of the process rate yielding in TBP. Further, on the basis of thermodynamic data concerning the various involved compounds a theoretical model was achieved. The calculations were carried out in Basic language and an interpolation mathematical method was applied to approximate the kinetic curves. The thermodynamic calculations were achieved on the basis of GIBBS' free energy using a VAX type computer and a VT240 terminal. The calculations accuracy was reasonable and within the norms. For each process, the confrontation of both models leads to an appreciable accord. In the two processes, the thermodynamic models were similar although the kinetic equations present different reaction orders. Hence the reaction orders were determined by a mathematical method which conists in searching the minimal difference between an empiric relation and a kinetic model with fixed order. This corresponds in fact in testing the model proposed at various reaction order around the suspected value. The main idea which results from such a work is that this kind of processes is well fitting with the model without taking into account the side chain reactions. The process behaviour is like that of a single reaction having a quasi linear dependence of the rate yielding and the reaction time for both processes

  12. On the stable eutectic solidification of iron–carbon–silicon alloys

    International Nuclear Information System (INIS)

    Stefanescu, Doru M.; Alonso, Gorka; Larrañaga, Pello; Suarez, Ramon

    2016-01-01

    Extensive effort was expanded to elucidate the growth and morphology of the stable eutectic grains during early solidification of continuous cooled Fe–C–Si alloys. To this purpose, quenching experiments at successive stages during solidification have been carried out on five cast irons with various magnesium and titanium levels designed to produce graphite morphologies ranging from lamellar to mixed compacted–spheroidal. The graphite shape factors were measured on the metallographic samples, and their evolution as a function of the chemical composition and the solid fraction was analyzed. Extensive scanning electron microscopy was carried on to evaluate the change in graphite shape during early solidification, to establish the fraction of solid at which the transition from spheroidal-to-compacted-to-lamellar graphite occurs, and to outline the early morphology of the eutectic grains. It was confirmed that solidification of Mg containing irons started with the development of spheroidal graphite even at Mg levels as low as 0.013 mass%. Then, as solidification proceeds, when some spheroids developed one or more tails (tadpole graphite), the spheroidal-to-compacted graphite transition occurs. The new findings were then integrated in previous knowledge to produce an understanding of the eutectic solidification of these materials. It was concluded that in hypoeutectic lamellar graphite iron austenite/graphite eutectic grains can nucleate at the austenite/liquid interface or in the bulk of the liquid, depending on the sulfur content and on the cooling rate. When graphite nucleation occurs on the primary austenite, several eutectic grains can nucleate and grow on the same dendrite. The primary austenite continues growing as eutectic austenite and therefore the two have the same crystallographic orientation. Thus, a final austenite grain may include several eutectic grains. In eutectic irons the eutectic grains nucleate and grow mostly in the liquid. The eutectic

  13. Functional Nanoclay Suspension for Printing-Then-Solidification of Liquid Materials.

    Science.gov (United States)

    Jin, Yifei; Compaan, Ashley; Chai, Wenxuan; Huang, Yong

    2017-06-14

    Additive manufacturing (AM) enables the freeform fabrication of complex structures from various build materials. The objective of this study is to develop a novel Laponite nanoclay-enabled "printing-then-solidification" additive manufacturing approach to extrude complex three-dimensional (3D) structures made of various liquid build materials. Laponite, a member of the smectite mineral family, is investigated to serve as a yield-stress support bath material for the extrusion printing of liquid build materials. Using the printing-then-solidification approach, the printed structure remains liquid and retains its shape with the help of the Laponite support bath. Then the completed liquid structures are solidified in situ by applying suitable cross-linking mechanisms. Finally, the solidified structures are harvested from the Laponite nanoclay support bath for any further processing as needed. Due to its chemical and physical stability, liquid build materials with different solidification/curing/gelation mechanisms can be fabricated in the Laponite bath using the printing-then-solidification approach. The feasibility of the proposed Laponite-enabled printing-then-solidification approach is demonstrated by fabricating several complicated structures made of various liquid build materials, including alginate with ionic cross-linking, gelatin with thermal cross-linking, and SU-8 with photo-cross-linking. During gelatin structure printing, living cells are included and the postfabrication cell viability is above 90%.

  14. Kinetics model of bainitic transformation with stress

    Science.gov (United States)

    Zhou, Mingxing; Xu, Guang; Hu, Haijiang; Yuan, Qing; Tian, Junyu

    2018-01-01

    Thermal simulations were conducted on a Gleeble 3800 simulator. The main purpose is to investigate the effects of stress on the kinetics of bainitic transformation in a Fe-C-Mn-Si advanced high strength bainitic steel. Previous studies on modeling the kinetics of stress affected bainitic transformation only considered the stress below the yield strength of prior austenite. In the present study, the stress above the yield strength of prior austenite is taken into account. A new kinetics model of bainitic transformation dependent on the stress (including the stresses below and above the yield strength of prior austenite) and the transformation temperature is proposed. The new model presents a good agreement with experimental results. In addition, it is found that the acceleration degree of stress on bainitic transformation increases with the stress whether its magnitude is below or above the yield strength of austenite, but the increasing rate gradually slows down when the stress is above the yield strength of austenite.

  15. Solidification of Undercooled Melts of Al-Based Alloys on Earth and in Space

    Science.gov (United States)

    Herlach, Dieter M.; Burggraf, Stefan; Galenko, Peter; Gandin, Charles-André; Garcia-Escorial, Asuncion; Henein, Hani; Karrasch, Christian; Mullis, Andrew; Rettenmayr, Markus; Valloton, Jonas

    2017-08-01

    Containerless processing of droplets and drops by atomization and electromagnetic levitation are applied to undercool metallic melts and alloys prior to solidification. Heterogeneous nucleation on crucible walls is completely avoided giving access to large undercoolings. Experiments are performed both under terrestrial (1 g) conditions and in reduced gravity ( µg) as well. Microgravity conditions are realized by the free fall of small droplets during atomization of a spray of droplets, individual drops in a drop tube and by electromagnetic levitation of drops during parabolic flights, sounding rocket missions, and using the electro-magnetic levitator multi-user facility on board the International Space Station. The comparison of both sets of experiments in 1 g and µg leads to an estimation of the influence of forced convection on dendrite growth kinetics and microstructure evolution.

  16. Microstructural investigation of D2 tool steel during rapid solidification

    Science.gov (United States)

    Delshad Khatibi, Pooya

    Solidification is considered as a key processing step in developing the microstructure of most metallic materials. It is, therefore, important that the solidification process can be designed and controlled in such a way so as to obtain the desirable properties in the final product. Rapid solidification refers to the system's high undercooling and high cooling rate, which can yield a microstructure with unique chemical composition and mechanical properties. An area of interest in rapid solidification application is high-chromium, high-carbon tool steels which experience considerable segregation of alloying elements during their solidification in a casting process. In this dissertation, the effect of rapid solidification (undercooling and cooling rate) of D2 tool steel on the microstructure and carbide precipitation during annealing was explored. A methodology is described to estimate the eutectic and primary phase undercooling of solidifying droplets. The estimate of primary phase undercooling was confirmed using an online measurement device that measured the radiation energy of the droplets. The results showed that with increasing primary phase and eutectic undercooling and higher cooling rate, the amount of supersaturation of alloying element in metastable retained austenite phase also increases. In the case of powders, the optimum hardness after heat treatment is achieved at different temperatures for constant periods of time. Higher supersaturation of austenite results in obtaining secondary hardness at higher annealing temperature. D2 steel ingots generated using spray deposition have high eutectic undercooling and, as a result, high supersaturation of alloying elements. This can yield near net shape D2 tool steel components with good mechanical properties (specifically hardness). The data developed in this work would assist in better understanding and development of near net shape D2 steel spray deposit products with good mechanical properties.

  17. Non-Equilibrium Solidification of Undercooled Metallic Melts

    Directory of Open Access Journals (Sweden)

    Dieter M. Herlach

    2014-06-01

    Full Text Available If a liquid is undercooled below its equilibrium melting temperature an excess Gibbs free energy is created. This gives access to solidification of metastable solids under non-equilibrium conditions. In the present work, techniques of containerless processing are applied. Electromagnetic and electrostatic levitation enable to freely suspend a liquid drop of a few millimeters in diameter. Heterogeneous nucleation on container walls is completely avoided leading to large undercoolings. The freely suspended drop is accessible for direct observation of rapid solidification under conditions far away from equilibrium by applying proper diagnostic means. Nucleation of metastable crystalline phases is monitored by X-ray diffraction using synchrotron radiation during non-equilibrium solidification. While nucleation preselects the crystallographic phase, subsequent crystal growth controls the microstructure evolution. Metastable microstructures are obtained from deeply undercooled melts as supersaturated solid solutions, disordered superlattice structures of intermetallics. Nucleation and crystal growth take place by heat and mass transport. Comparative experiments in reduced gravity allow for investigations on how forced convection can be used to alter the transport processes and design materials by using undercooling and convection as process parameters.

  18. Homogenization Kinetics of a Nickel-based Superalloy Produced by Powder Bed Fusion Laser Sintering.

    Science.gov (United States)

    Zhang, Fan; Levine, Lyle E; Allen, Andrew J; Campbell, Carelyn E; Lass, Eric A; Cheruvathur, Sudha; Stoudt, Mark R; Williams, Maureen E; Idell, Yaakov

    2017-04-01

    Additively manufactured (AM) metal components often exhibit fine dendritic microstructures and elemental segregation due to the initial rapid solidification and subsequent melting and cooling during the build process, which without homogenization would adversely affect materials performance. In this letter, we report in situ observation of the homogenization kinetics of an AM nickel-based superalloy using synchrotron small angle X-ray scattering. The identified kinetic time scale is in good agreement with thermodynamic diffusion simulation predictions using microstructural dimensions acquired by ex situ scanning electron microscopy. These findings could serve as a recipe for predicting, observing, and validating homogenization treatments in AM materials.

  19. Kinetic computer modeling of microwave surface-wave plasma production

    International Nuclear Information System (INIS)

    Ganachev, Ivan P.

    2004-01-01

    Kinetic computer plasma modeling occupies an intermediate position between the time consuming rigorous particle dynamic simulation and the fast but rather rough cold- or warm-plasma fluid models. The present paper reviews the kinetic modeling of microwave surface-wave discharges with accent on recent kinetic self-consistent models, where the external input parameters are reduced to the necessary minimum (frequency and intensity of the applied microwave field and pressure and geometry of the discharge vessel). The presentation is limited to low pressures, so that Boltzmann equation is solved in non-local approximation and collisional electron heating is neglected. The numerical results reproduce correctly the bi-Maxwellian electron energy distribution functions observed experimentally. (author)

  20. Geometrical modulus of a casting and its influence on solidification process

    Directory of Open Access Journals (Sweden)

    F. Havlicek

    2011-10-01

    Full Text Available Object: The work analyses the importance of the known criterion for evaluating the controlled solidification of castings, so called geometrical modulus defined by N. Chvorinov as the first one. Geometrical modulus influences the solidification process. The modulus has such specificity that during the process of casting formation it is not a constant but its initial value decreases with the solidification progress because the remaining melt volume can decrease faster than its cooling surface.Methodology: The modulus is determined by a simple calculation from the ratio of the casting volume after pouring the metal in the mould to the cooled mould surface. The solidified metal volume and the cooled surface too are changed during solidification. That calculation is much more complicated. Results were checked up experimentally by measuring the temperatures in the cross-section of heavy steel castings during cooling them.Results: The given experimental results have completed the original theoretical calculations by Chvorinov and recent researches done with use of numerical calculations. The contribution explains how the geometrical modulus together with the thermal process in the casting causes the higher solidification rate in the axial part of the casting cross-section and shortening of solidification time. Practical implications: Change of the geometrical modulus negatively affects the casting internal quality. Melt feeding by capillary filtration in the dendritic network in the casting central part decreases and in such a way the shrinkage porosity volume increases. State of stress character in the casting is changed too and it increases.

  1. Solidification processing of intermetallic Nb-Al alloys

    Science.gov (United States)

    Smith, Preston P.; Oliver, Ben F.; Noebe, Ronald D.

    1992-01-01

    Several Nb-Al alloys, including single-phase NbAl3 and the eutectic of Nb2Al and NbAl3, were prepared either by nonconsumable arc melting in Ar or by zone processing in He following initial induction melting and rod casting, and the effect of the solidification route on the microstructure and room-temperature mechanical properties of these alloys was investigated. Automated control procedures and melt conditions for directional solidification of NbAl3 and the Nb2Al/Nb3Al eutectic were developed; high purity and stoichiometry were obtained. The effects of ternary additions of Ti and Ni are described.

  2. Melting, solidification, remelting, and separation of glass and metal

    International Nuclear Information System (INIS)

    Ebadian, M.A.; Xin, R.C.; Liu, Y.Z.

    1998-01-01

    Several high-temperature vitrification technologies have been developed for the treatment of a wide range of mixed waste types in both the low-level waste and transuranic (TRU) mixed waste categories currently in storage at DOE sites throughout the nation. The products of these processes are an oxide slag phase and a reduced metal phase. The metal phase has the potential to be recycled within the DOE Complex. Enhanced slag/metal separation methods are needed to support these processes. This research project involves an experimental investigation of the melting, solidification, remelting, and separation of glass and metal and the development of an efficient separation technology. The ultimate goal of this project is to find an efficient way to separate the slag phase from the metal phase in the molten state. This two-year project commenced in October 1995 (FY96). In the first fiscal year, the following tasks were accomplished: (1) A literature review and an assessment of the baseline glass and metal separation technologies were performed. The results indicated that the baseline technology yields a high percentage of glass in the metal phase, requiring further separation. (2) The main melting and solidification system setup was established. A number of melting and solidification tests were conducted. (3) Temperature distribution, solidification patterns, and flow field in the molten metal pool were simulated numerically for the solidification processes of molten aluminum and iron steel. (4) Initial designs of the laboratory-scale DCS and CS technologies were also completed. The principal demonstration separation units were constructed. (5) An application for a patent for an innovative liquid-liquid separation technology was submitted and is pending

  3. Formulation, construction and analysis of kinetic models of metabolism: A review of modelling frameworks

    DEFF Research Database (Denmark)

    Saa, Pedro A.; Nielsen, Lars K.

    2017-01-01

    Kinetic models are critical to predict the dynamic behaviour of metabolic networks. Mechanistic kinetic models for large networks remain uncommon due to the difficulty of fitting their parameters. Recent modelling frameworks promise new ways to overcome this obstacle while retaining predictive ca...

  4. Modified sulfur cement solidification of low-level wastes

    Energy Technology Data Exchange (ETDEWEB)

    1985-10-01

    This topical report describes the results of an investigation on the solidification of low-level radioactive wastes in modified sulfur cement. The work was performed as part of the Waste Form Evaluation Program, sponsored by the US Department of Energy's Low-Level Waste Management Program. Modified sulfur cement is a thermoplastic material developed by the US Bureau of Mines. Processing of waste and binder was accomplished by means of both a single-screw extruder and a dual-action mixing vessel. Waste types selected for this study included those resulting from advanced volume reduction technologies (dry evaporator concentrate salts and incinerator ash) and those which remain problematic for solidification using contemporary agents (ion exchange resins). Process development studies were conducted to ascertain optimal process control parameters for successful solidification. Maximum waste loadings were determined for each waste type and method of processing. Property evaluation testing was carried out on laboratory scale specimens in order to compare with waste form performance for other potential matrix materials. Waste form property testing included compressive strength, water immersion, thermal cycling and radionuclide leachability. Recommended waste loadings of 40 wt. % sodium sulfate and boric acid salts and 43 wt. % incinerator ash, which are based on processing and performance considerations, are reported. Solidification efficiencies for these waste types represent significant improvements over those of hydraulic cements. Due to poor waste form performance, incorporation of ion exchange resin waste in modified sulfur cement is not recommended.

  5. Modified sulfur cement solidification of low-level wastes

    International Nuclear Information System (INIS)

    1985-10-01

    This topical report describes the results of an investigation on the solidification of low-level radioactive wastes in modified sulfur cement. The work was performed as part of the Waste Form Evaluation Program, sponsored by the US Department of Energy's Low-Level Waste Management Program. Modified sulfur cement is a thermoplastic material developed by the US Bureau of Mines. Processing of waste and binder was accomplished by means of both a single-screw extruder and a dual-action mixing vessel. Waste types selected for this study included those resulting from advanced volume reduction technologies (dry evaporator concentrate salts and incinerator ash) and those which remain problematic for solidification using contemporary agents (ion exchange resins). Process development studies were conducted to ascertain optimal process control parameters for successful solidification. Maximum waste loadings were determined for each waste type and method of processing. Property evaluation testing was carried out on laboratory scale specimens in order to compare with waste form performance for other potential matrix materials. Waste form property testing included compressive strength, water immersion, thermal cycling and radionuclide leachability. Recommended waste loadings of 40 wt. % sodium sulfate and boric acid salts and 43 wt. % incinerator ash, which are based on processing and performance considerations, are reported. Solidification efficiencies for these waste types represent significant improvements over those of hydraulic cements. Due to poor waste form performance, incorporation of ion exchange resin waste in modified sulfur cement is not recommended

  6. Sum rule limitations of kinetic particle-production models

    International Nuclear Information System (INIS)

    Knoll, J.; CEA Centre d'Etudes Nucleaires de Grenoble, 38; Guet, C.

    1988-04-01

    Photoproduction and absorption sum rules generalized to systems at finite temperature provide a stringent check on the validity of kinetic models for the production of hard photons in intermediate energy nuclear collisions. We inspect such models for the case of nuclear matter at finite temperature employed in a kinetic regime which copes those encountered in energetic nuclear collisions, and find photon production rates which significantly exceed the limits imposed by the sum rule even under favourable concession. This suggests that coherence effects are quite important and the production of photons cannot be considered as an incoherent addition of individual NNγ production processes. The deficiencies of present kinetic models may also apply for the production of probes such as the pion which do not couple perturbatively to the nuclear currents. (orig.)

  7. Stabilization/Solidification Remediation Method for Contaminated Soil: A Review

    Science.gov (United States)

    Tajudin, S. A. A.; Azmi, M. A. M.; Nabila, A. T. A.

    2016-07-01

    Stabilization/Solidification (S/S) is typically a process that involves a mixing of waste with binders to reduce the volume of contaminant leachability by means of physical and chemical characteristics to convert waste in the environment that goes to landfill or others possibly channels. Stabilization is attempts to reduce the solubility or chemical reactivity of the waste by changing the physical and chemical properties. While, solidification attempt to convert the waste into easily handled solids with low hazardous level. These two processes are often discussed together since they have a similar purpose of improvement than containment of potential pollutants in treated wastes. The primary objective of this review is to investigate the materials used as a binder in Stabilization/Solidification (S/S) method as well as the ability of these binders to remediate the contaminated soils especially by heavy metals.

  8. Kinetic models of cell growth, substrate utilization and bio ...

    African Journals Online (AJOL)

    Bio-decolorization kinetic studies of distillery effluent in a batch culture were conducted using Aspergillus fumigatus. A simple model was proposed using the Logistic Equation for the growth, Leudeking-Piret kinetics for bio-decolorization, and also for substrate utilization. The proposed models appeared to provide a suitable ...

  9. Solidification of low-level wastes by inorganic binder

    International Nuclear Information System (INIS)

    Sasaki, M.T.; Shimojo, M.; Suzuki, K.; Kajikawa, A.; Karasawa, Y.

    1995-01-01

    The use of an alkali activated slag binder has been studied for solidification and stabilization of low-level wastes in nuclear power stations and spent fuel processing facilities. The activated slag effectively formed waste products having good physical properties with high waste loading for sodium sulfate, sodium nitrate, calcium pyrophosphate/phosphate and spent ion-exchange resins. Moreover, the results of the study suggest the slag has the ability to become a common inorganic binder for the solidification of various radioactive wastes. This paper also describes the fixation of radionuclides by the activated slag binder

  10. Kinetic k-essence ghost dark energy model

    International Nuclear Information System (INIS)

    Rozas-Fernández, Alberto

    2012-01-01

    A ghost dark energy model has been recently put forward to explain the current accelerated expansion of the Universe. In this model, the energy density of ghost dark energy, which comes from the Veneziano ghost of QCD, is proportional to the Hubble parameter, ρ D =αH. Here α is a constant of order Λ QCD 3 where Λ QCD ∼100 MeV is the QCD mass scale. We consider a connection between ghost dark energy with/without interaction between the components of the dark sector and the kinetic k-essence field. It is shown that the cosmological evolution of the ghost dark energy dominated Universe can be completely described a kinetic k-essence scalar field. We reconstruct the kinetic k-essence function F(X) in a flat Friedmann-Robertson-Walker Universe according to the evolution of ghost dark energy density.

  11. Measuring device for weight of glass of glass solidification product to be charged

    International Nuclear Information System (INIS)

    Yasutake, Nobuhiro; Arai, Masaki; Akashi, Ken-ichi

    1998-01-01

    The present invention provides a device for accurately calculating the weight of molten glass to be charged during manufacturing glass solidification products of radioactive liquid wastes. Namely, a discharge nozzle at the lower end of a glass melting furnace and an upper end of a vessel for glass solidification materials are connected by a connecting device extensible vertically in a cylindrical shape. Molten glasses are flown down by way of the connecting device and filled into the vessel for solidification products. A first scale is constituted so as to measure the weight of load, and the vessel for solidification products are loaded. A second scale is constituted so as to measure the own weight and a weight of load, and is interposed between a flange at the circumference of a charging port and the lower end of the connecting device, and has an opening for flowing down the molten glass at the central portion. With such a constitution, the first scale can weigh the total of the weight of molten glass charged to the vessel for solidification products, the weight of the vessel for solidification products, the counterforce from the connecting device and the weight of the second scale. If the measured value of the secondary scale and the weight of the vessel for solidification products are subtracted from the former value, the weight of the charged molten glass can be determined. (I.S.)

  12. Phase-field modeling of corrosion kinetics under dual-oxidants

    Science.gov (United States)

    Wen, You-Hai; Chen, Long-Qing; Hawk, Jeffrey A.

    2012-04-01

    A phase-field model is proposed to simulate corrosion kinetics under a dual-oxidant atmosphere. It will be demonstrated that the model can be applied to simulate corrosion kinetics under oxidation, sulfidation and simultaneous oxidation/sulfidation processes. Phase-dependent diffusivities are incorporated in a natural manner and allow more realistic modeling as the diffusivities usually differ by many orders of magnitude in different phases. Simple free energy models are then used for testing the model while calibrated free energy models can be implemented for quantitative modeling.

  13. Kinetic equations for the collisional plasma model

    International Nuclear Information System (INIS)

    Rij, W.I. Van; Meier, H.K.; Beasley, C.O. Jr.; McCune, J.E.

    1977-01-01

    Using the Collisional Plasma Model (CPM) representation, expressions are derived for the Vlasov operator, both in its general form and in the drift-kinetic approximation following the recursive derivation by Hazeltine. The expressions for the operators give easily calculated couplings between neighbouring components of the CPM representation. Expressions for various macroscopic observables in the drift-kinetics approximation are also given. (author)

  14. Fluid flow solidification simulation of molten alloys

    International Nuclear Information System (INIS)

    Kaschnitz, E.

    1997-01-01

    In an effort to minimize costs and to obtain optimum designs, computer simulation of shape casting processes is more and more used as a development tool. Accurate predictions are possible by means of three dimensional fluid flow and solidification modelling. The bases of the model are the transient laminar Navier-Stokes-equations for a Newtonian fluid including the tracking of the free surface. They are describing the melt flow pattern during the mold filling sequence. Simultaneously, the temperature development in the alloy and mold is calculated using Fourier's heat transfer equation. At OEGI, a commercial software package (MAGMAsoft) with a finite difference equation solver is used for improvement of casting processes. Different examples of industrial applications will be shown. (author)

  15. RETRAN-02 one-dimensional kinetics model: a review

    International Nuclear Information System (INIS)

    Gose, G.C.; McClure, J.A.

    1986-01-01

    RETRAN-02 is a modular code system that has been designed for one-dimensional, transient thermal-hydraulics analysis. In RETRAN-02, core power behavior may be treated using a one-dimensional reactor kinetics model. This model allows the user to investigate the interaction of time- and space-dependent effects in the reactor core on overall system behavior for specific LWR operational transients. The purpose of this paper is to review the recent analysis and development activities related to the one dimensional kinetics model in RETRAN-02

  16. Study of the thermal and kinetic parameters during directional solidification of zinc-aluminum eutectic alloys

    International Nuclear Information System (INIS)

    Gueijman, Sergio Fabian; Ares, Alicia Esther; Schvezov, Carlos Enrique

    2008-01-01

    Much work has been done recently on investigating zinc-based binary alloys, with different aluminum content, and modified or not with small amounts of other alloying elements. Some of these alloys have interesting properties, such as, the ZA alloys that have properties similar to some bronzes that are used in applications that require pieces with enough resistance to mechanical stresses. The longitudinal thermal gradients, the minimal gradients, the velocities of the liquid interphases, the velocities of the solid interphases and the accelerations of both interphases as a function of time and position were determined for each diluted alloy of the eutectic concentration considered (Zn-5%Al, % in weight), solidified horizontally with caloric extraction from both ends of the test pieces. The values obtained from the horizontal solidification with two directions of predominant caloric extraction are compared to previous values obtained for the same vertically solidified alloy system with a predominantly caloric extraction direction

  17. Lumping procedure for a kinetic model of catalytic naphtha reforming

    Directory of Open Access Journals (Sweden)

    H. M. Arani

    2009-12-01

    Full Text Available A lumping procedure is developed for obtaining kinetic and thermodynamic parameters of catalytic naphtha reforming. All kinetic and deactivation parameters are estimated from industrial data and thermodynamic parameters are calculated from derived mathematical expressions. The proposed model contains 17 lumps that include the C6 to C8+ hydrocarbon range and 15 reaction pathways. Hougen-Watson Langmuir-Hinshelwood type reaction rate expressions are used for kinetic simulation of catalytic reactions. The kinetic parameters are benchmarked with several sets of plant data and estimated by the SQP optimization method. After calculation of deactivation and kinetic parameters, plant data are compared with model predictions and only minor deviations between experimental and calculated data are generally observed.

  18. Improved point-kinetics model for the BWR control rod drop accident

    International Nuclear Information System (INIS)

    Neogy, P.; Wakabayashi, T.; Carew, J.F.

    1985-01-01

    A simple prescription to account for spatial feedback weighting effects in RDA (rod drop accident) point-kinetics analyses has been derived and tested. The point-kinetics feedback model is linear in the core peaking factor, F/sub Q/, and in the core average void fraction and fuel temperature. Comparison with detailed spatial kinetics analyses indicates that the improved point-kinetics model provides an accurate description of the BWR RDA

  19. Microstructure and Corrosion Resistance Property of a Zn-AI-Mg Alloy with Different Solidification Processes

    Directory of Open Access Journals (Sweden)

    Jiang Guang-rui

    2017-01-01

    Full Text Available Zn-Al-Mg alloy coating attracted much attention due to its high corrosion resistance properties, especially high anti-corrosion performance at the cut edge. As the Zn-Al-Mg alloy coating was usually produced by hot-dip galvanizing method, solidification process was considered to influence its microstructure and corrosion properties. In this work, a Zn-Al-Mg cast alloy was melted and cooled to room temperature with different solidification processes, including water quench, air cooling and furnace cooling. Microstructure of the alloy with different solidification processes was characterized by scanning electron microscopy (SEM. Result shows that the microstructure of the Zn-Al-Mg alloy are strongly influenced by solidification process. With increasing solidification rate, more Al is remained in the primary crystal. Electrochemical analysis indicates that with lowering solidification rate, the corrosion current density of the Zn-Al-Mg alloy decreases, which means higher corrosion resistance.

  20. Two-dimensional multi-scale dendrite needle network modeling and x-ray radiography of equiaxed alloy solidification in grain-refined Al-3.5 wt-%Ni

    International Nuclear Information System (INIS)

    Sturz, Laszlo; Theofilatos, Angelos

    2016-01-01

    The aim of this work is to investigate multiple dendritic equiaxed grain formation during directional solidification of grain-refined Al-3.5 wt-%Ni under a range of different solidification conditions. This is achieved by comparing the results of in-situ x-ray radiographic experiments involving thin samples (as reported in the literature) to the results of 2D multi-scale dendrite needle network (DNN) modeling covering the essential experimental length scale. The model takes into account heterogeneous nucleation, branched dendritic growth and solutal interaction between branches and multiple equiaxed grains. The decrease in equivalent circular diameter of the steady-state average grain size with pulling velocity, as observed in the Bridgman-type experiments, is well captured by the modeling results, and likewise the ratio of activated nucleation seeds. Using experimentally estimated nucleation parameters in the modeling, a log normal nucleation undercooling distribution provided slightly but not significantly better agreement with experiments than a Gaussian distribution, with remaining absolute differences in the equivalent circular diameter of up to 31%. Thus, even with the 2D modeling of an essentially 3D experiment, fairly good agreement is achieved. This is attributed to a solutal undercooling of the equiaxed front region in the modeling which is similar in comparison to the dendrite tip undercooling predicted by an analytical 3D calculation, on which the estimation of nucleation parameters was based. Moreover, dendrite side-branching in modeling is of minor impact, due to a ratio between solutal diffusion length and equivalent circular diameter inferior to 0.49 under all solidification conditions. Additionally, at low pulling velocities, the computed grain density is only slightly dependent on which unknown dendrite selection parameter σ* over a wider range is selected. On the other hand, at high pulling velocities there is no dependence. In short

  1. Simulation of spreading with solidification: assessment synthesis of Thema code

    Energy Technology Data Exchange (ETDEWEB)

    Spindler, B.; Veteau, J.M. [CEA Grenoble, Direction de l' Energie Nucleaire, Dept. de Technologie Nucleaire, Service d' Etudes Thermohydrauliques et Technologiques, 38 (France)

    2004-07-01

    After a presentation of the models included in THEMA code, which simulates the spreading of a fluid with solidification, the whole assessment calculations are presented. The first series concerns the comparison with analytical or numerical solutions: dam break, conduction for the heat transfer in the substrate, crust growth. The second series concerns the comparison with the CORINE isothermal tests (simulating fluid at low temperature). The third series concerns the CORINE tests with heat transfer. The fourth series concerns the tests with simulating materials at medium or high temperature (RIT, KATS). The fifth series concerns the tests with prototypical materials (COMAS, FARO, VULCANO). Finally the blind simulations of the ECOKATS tests are presented. All the calculations are performed with the same physical models (THEMA version 2.5), without any variable tuning parameter according to the test under consideration. Sensitivity studies concern the influence of the viscosity model in the solidification interval, and for the tests with prototypical materials the inlet temperature and the solid fraction. The relative difference between the calculated and measured spreading areas is generally less than 20 % except for the test with prototypical materials, for which the assessment is not easy due to the large experimental uncertainties. The level of validation of THEMA is considered as satisfactory, taking into account the required accuracy. (authors)

  2. Simulation of spreading with solidification: assessment synthesis of Thema code

    International Nuclear Information System (INIS)

    Spindler, B.; Veteau, J.M.

    2004-01-01

    After a presentation of the models included in THEMA code, which simulates the spreading of a fluid with solidification, the whole assessment calculations are presented. The first series concerns the comparison with analytical or numerical solutions: dam break, conduction for the heat transfer in the substrate, crust growth. The second series concerns the comparison with the CORINE isothermal tests (simulating fluid at low temperature). The third series concerns the CORINE tests with heat transfer. The fourth series concerns the tests with simulating materials at medium or high temperature (RIT, KATS). The fifth series concerns the tests with prototypical materials (COMAS, FARO, VULCANO). Finally the blind simulations of the ECOKATS tests are presented. All the calculations are performed with the same physical models (THEMA version 2.5), without any variable tuning parameter according to the test under consideration. Sensitivity studies concern the influence of the viscosity model in the solidification interval, and for the tests with prototypical materials the inlet temperature and the solid fraction. The relative difference between the calculated and measured spreading areas is generally less than 20 % except for the test with prototypical materials, for which the assessment is not easy due to the large experimental uncertainties. The level of validation of THEMA is considered as satisfactory, taking into account the required accuracy. (authors)

  3. Solidification behavior of austenitic stainless steel filler metals

    International Nuclear Information System (INIS)

    David, S.A.; Goodwin, G.M.; Braski, D.N.

    1980-02-01

    Thermal analysis and interrupted solidification experiments on selected austenitic stainless steel filler metals provided an understanding of the solidification behavior of austenitic stainless steel welds. The sequences of phase separations found were for type 308 stainless steel filler metal, L + L + delta + L + delta + γ → γ + delta, and for type 310 stainless steel filler metal, L → L + γ → γ. In type 308 stainless steel filler metal, ferrite at room temperature was identified as either the untransformed primary delta-ferrite formed during the initial stages of solidification or the residual ferrite after Widmanstaetten austenite precipitation. Microprobe and scanning transmission electron microscope microanalyses revealed that solute extensively redistributes during the transformation of primary delta-ferrite to austenite, leading to enrichment and stabilization of ferrite by chromium. The type 310 stainless steel filler metal investigated solidifies by the primary crystallization of austenite, with the transformation going to completion at the solidus temperature. In our samples residual ferrite resulting from solute segregation was absent at the intercellular or interdendritic regions

  4. Quantum kinetic Ising models

    International Nuclear Information System (INIS)

    Augusiak, R; Cucchietti, F M; Lewenstein, M; Haake, F

    2010-01-01

    In this paper, we introduce a quantum generalization of classical kinetic Ising models (KIM), described by a certain class of quantum many-body master equations. Similarly to KIMs with detailed balance that are equivalent to certain Hamiltonian systems, our models reduce to a set of Hamiltonian systems determining the dynamics of the elements of the many-body density matrix. The ground states of these Hamiltonians are well described by the matrix product, or pair entangled projected states. We discuss critical properties of such Hamiltonians, as well as entanglement properties of their low-energy states.

  5. On the relation between primary and eutectic solidification structures in gray iron

    International Nuclear Information System (INIS)

    Elmquist, L; Sonawane, P A

    2012-01-01

    The solidification of hypoeutectic gray cast iron starts with the nucleation of primary austenite crystals. Before graphite is nucleated, and the eutectic structure is formed, these crystals start to grow as columnar or equiaxed dendrites. However, very little is known about these dendrites, and especially how they influence the subsequent eutectic structure. Besides, it has previously been shown that the primary solidification structure influences the formation of defects. Shrinkage porosity was found between the dendrites, in the grain boundaries, and the formation of the primary solidification structure was found to influence problems related to metal expansion penetration. Therefore a better understanding about the formation of this structure is of importance. In this work, different inoculants and their influence on the formation of the micro- and macrostructures has been investigated. The inoculants considered are commercially used inoculants, i.e. inoculants used in the foundries, as well as different iron powders. The addition of iron powder is used to promote the primary solidification structure. It is shown that the nucleation of the dendrites is influenced by the amount of iron powder. Secondary dendrite arm spacing is a quantitative measurement in the microstructure related to these dendrites, which in turn depends on the solidification time. Eutectic cell size, on the other hand, is found to depend on secondary dendrite arm spacing. It is shown how the addition of inoculants influences both primary and eutectic solidification structures, and how they are related to each other.

  6. Metallurgical phenomena in laser finishing: Interdependences between solidification morphologies and hot cracking in laser welding of mostly austenitic materials. Final reportc; Metallkundliche Phaenomene der Laserstrahlmaterialbearbeitung. Teilvorhaben: Zusammenhaenge zwischen Erstarrungsmorphologien und Heissrissentstehung beim Laserschweissen von vornehmlich austenitischen Werkstoffen. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Schobbert, H.

    2000-06-01

    Austentic stainless steels are widely used in safety relevant applications such as chemical plant industry or off-shore industry. Due to the rapid development of laser welding processes, the economical efficiency increases and leads to a growing interest in industry for the production of, for example, straight bead welded pipes. A specific problem of laser welding is the economically desirable high welding speed, which leads in austenitic stainless steels to a change of solidification mode and thus, to a restricted hot cracking resistance. Thus, the solidification morphologies of austenitic stainless steels near the eutectic trough during laser welding were investigated. Thereby, the main aspect was the evaluation of a short-term metallurgical kinetic effects under rapid solidification conditions. It was proven that three widely used stainless steels (1.4828, 1.4306, and 1.4404) show a transition of primary solidifcation mode from primary ferritic to primary austenitic solidification depending on the solidification rate. The approximate value of the critical soldification rate can be determined using a newly developed model by analyzing the geometric structures of solidification. The critical solidification rate for the transition of the solidification mode depends on the chemical composition of the base metal. It was shown that austenitic stainless steels have a critical solidification rate of approximately 1 m/min. As a main result, it was proven that a transition of the solidification mode to primary austenitic solidification promotes the predicted susceptibiliyy of hot cracking. For this, a hot cracking test assembly has been developed in order to determine the hot cracking behavior under laser beam conditions. In contrast to existing hot crack tests, a critical strain rate for hot crack initiation could be measured. A classification of the materials with respect to their hot cracking susceptibility under the solidification conditions during laser welding can

  7. Solidification analysis of a centrifugal atomizer using the Al-32.7wt.% Cu alloy

    Energy Technology Data Exchange (ETDEWEB)

    Osborne, Matthew G. [Iowa State Univ., Ames, IA (United States)

    1998-02-23

    A centrifugal atomizer (spinning disk variety) was designed and constructed for the production of spherical metal powders, 100-1,000 microns in diameter in an inert atmosphere. Initial atomization experiments revealed the need for a better understanding of how the liquid metal was atomized and how the liquid droplets solidified. To investigate particle atomization, Ag was atomized in air and the process recorded on high-speed film. To investigate particle solidification, Al-32.7 wt.% Cu was atomized under inert atmosphere and the subsequent particles were examined microscopically to determine solidification structure and rate. This dissertation details the experimental procedures used in producing the Al-Cu eutectic alloy particles, examination of the particle microstructures, and determination of the solidification characteristics (e.g., solidification rate) of various phases. Finally, correlations are proposed between the operation of the centrifugal atomizer and the observed solidification spacings.

  8. Kinetics of steel slag leaching: Batch tests and modeling

    International Nuclear Information System (INIS)

    De Windt, Laurent; Chaurand, Perrine; Rose, Jerome

    2011-01-01

    Reusing steel slag as an aggregate for road construction requires to characterize the leaching kinetics and metal releases. In this study, basic oxygen furnace (BOF) steel slag were subjected to batch leaching tests at liquid to solid ratios (L/S) of 10 and 100 over 30 days; the leachate chemistry being regularly sampled in time. A geochemical model of the steel slag is developed and validated from experimental data, particularly the evolution with leaching of mineralogical composition of the slag and trace element speciation. Kinetics is necessary for modeling the primary phase leaching, whereas a simple thermodynamic equilibrium approach can be used for secondary phase precipitation. The proposed model simulates the kinetically-controlled dissolution (hydrolysis) of primary phases, the precipitation of secondary phases (C-S-H, hydroxide and spinel), the pH and redox conditions, and the progressive release of major elements as well as the metals Cr and V. Modeling indicates that the dilution effect of the L/S ratio is often coupled to solubility-controlled processes, which are sensitive to both the pH and the redox potential. A sensitivity analysis of kinetic uncertainties on the modeling of element releases is performed.

  9. One-dimensional reactor kinetics model for RETRAN

    International Nuclear Information System (INIS)

    Gose, G.C.; Peterson, C.E.; Ellis, N.L.; McClure, J.A.

    1981-01-01

    Previous versions of RETRAN have had only a point kinetics model to describe the reactor core behavior during thermal-hydraulic transients. The principal assumption in deriving the point kinetics model is that the neutron flux may be separated into a time-dependent amplitude funtion and a time-independent shape function. Certain types of transients cannot be correctly analyzed under this assumption, since proper definitions for core average quantities such as reactivity or lifetime include the inner product of the adjoint flux with the perturbed flux. A one-dimensional neutronics model has been included in a preliminary version of RETRAN-02. The ability to account for flux shape changes will permit an improved representation of the thermal and hydraulic feedback effects. This paper describes the neutronics model and discusses some of the analyses

  10. Kinetic modeling of antimony(III) oxidation and sorption in soils.

    Science.gov (United States)

    Cai, Yongbing; Mi, Yuting; Zhang, Hua

    2016-10-05

    Kinetic batch and saturated column experiments were performed to study the oxidation, adsorption and transport of Sb(III) in two soils with contrasting properties. Kinetic and column experiment results clearly demonstrated the extensive oxidation of Sb(III) in soils, and this can in return influence the adsorption and transport of Sb. Both sorption capacity and kinetic oxidation rate were much higher in calcareous Huanjiang soil than in acid red Yingtan soil. The results indicate that soil serve as a catalyst in promoting oxidation of Sb(III) even under anaerobic conditions. A PHREEQC model with kinetic formulations was developed to simulate the oxidation, sorption and transport of Sb(III) in soils. The model successfully described Sb(III) oxidation and sorption data in kinetic batch experiment. It was less successful in simulating the reactive transport of Sb(III) in soil columns. Additional processes such as colloid facilitated transport need to be quantified and considered in the model. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Kinetic Modeling of a Heterogeneous Fenton Oxidative Treatment of Petroleum Refining Wastewater

    Science.gov (United States)

    Basheer Hasan, Diya'uddeen; Abdul Raman, Abdul Aziz; Wan Daud, Wan Mohd Ashri

    2014-01-01

    The mineralisation kinetics of petroleum refinery effluent (PRE) by Fenton oxidation were evaluated. Within the ambit of the experimental data generated, first-order kinetic model (FKM), generalised lumped kinetic model (GLKM), and generalized kinetic model (GKM) were tested. The obtained apparent kinetic rate constants for the initial oxidation step (k 2′), their final oxidation step (k 1′), and the direct conversion to endproducts step (k 3′) were 10.12, 3.78, and 0.24 min−1 for GKM; 0.98, 0.98, and nil min−1 for GLKM; and nil, nil, and >0.005 min−1 for FKM. The findings showed that GKM is superior in estimating the mineralization kinetics. PMID:24592152

  12. UNCONSTRAINED MELTING AND SOLIDIFICATION INSIDE ...

    African Journals Online (AJOL)

    2015-09-01

    Sep 1, 2015 ... There is a large number of experimental and numerical works on melting and solidification of PCM[6-10], and also its usage as thermal management in building [11-14], electronic devices [15-16] and solar energy. [17-20].Most investigated geometries in melting and freezing process are sphere (spherical.

  13. Process gas solidification system

    International Nuclear Information System (INIS)

    1980-01-01

    A process for withdrawing gaseous UF 6 from a first system and directing same into a second system for converting the gas to liquid UF 6 at an elevated temperature, additionally including the step of withdrawing the resulting liquid UF 6 from the second system, subjecting it to a specified sequence of flash-evaporation, cooling and solidification operations, and storing it as a solid in a plurality of storage vessels. (author)

  14. Alternative solidification techniques for radioactive ion exchange resins and liquid concentrates

    International Nuclear Information System (INIS)

    Thegerstroem, C.

    1980-01-01

    Methods, that are used or are under development for solidification of radioactive ion exchange resins or liquid concentrates, utilize normally cement, bitumen or some polymere as matrix material. This report contains a review and a description of these solidification processes and their products, especially of relatively new techniques that are under development in different countries. It is possible that solidification in thermosetting resins will be more used in the future, especially when product quality requirements are high (for instance when solidifying medium level resins) or when special waste categories has to be solidified. However it is not probable that thermosetting resins will be extensively used in a broad application as matrix material. In that case the methods are to complicated and expensive compared to, for instance, solidification in concrete. Systems for incorporation in polyesteremulsions (Dow-process) have a potential as they are quite simple and can accept a large variation of liquid wastes. Some methods in an early stage of development (for instance Inert Carrier Radwaste Process) will have to be tested in active application before they can be further evaluated. (author)

  15. Chemical Kinetic Modeling of 2-Methylhexane Combustion

    KAUST Repository

    Mohamed, Samah Y.; Sarathy, Mani

    2015-01-01

    necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values

  16. A kinetic model for the glucose/glycine Maillard reaction pathways

    NARCIS (Netherlands)

    Martins, S.I.F.S.; Boekel, van M.A.J.S.

    2005-01-01

    A comprehensive kinetic model for the glucose/glycine Maillard reaction is proposed based on an approach called multiresponse kinetic modelling. Special attention was paid to reactants, intermediates and end products: -fructose, N-(1-deoxy--fructos-1-yl)-glycine (DFG), 1-deoxy-2,3-hexodiulose and

  17. Modeling of hydrogen production methods: Single particle model and kinetics assessment

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.S.; Bellan, J. [California Institute of Technology, Pasadena, CA (United States)

    1996-10-01

    The investigation carried out by the Jet Propulsion Laboratory (JPL) is devoted to the modeling of biomass pyrolysis reactors producing an oil vapor (tar) which is a precursor to hydrogen. This is an informal collaboration with NREL whereby JPL uses the experimentally-generated NREL data both as initial and boundary conditions for the calculations, and as a benchmark for model validation. The goal of this investigation is to find drivers of biomass fast-pyrolysis in the low temperature regime. The rationale is that experimental observations produce sparse discrete conditions for model validation, and that numerical simulations produced with a validated model are an economic way to find control parameters and an optimal operation regime, thereby circumventing costly changes in hardware and tests. During this first year of the investigation, a detailed mathematical model has been formulated for the temporal and spatial accurate modeling of solid-fluid reactions in biomass particles. These are porous particles for which volumetric reaction rate data is known a priori and both the porosity and the permeability of the particle are large enough to allow for continuous gas phase flow. The methodology has been applied to the pyrolysis of spherically symmetric biomass particles by considering previously published kinetics schemes for both cellulose and wood. The results show that models which neglect the thermal and species boundary layers exterior to the particle will generally over predict both the pyrolysis rates and experimentally obtainable tar yields. An evaluation of the simulation results through comparisons with experimental data indicates that while the cellulose kinetics is reasonably accurate, the wood pyrolysis kinetics is not accurate; particularly at high reactor temperatures. Current effort in collaboration with NREL is aimed at finding accurate wood kinetics.

  18. Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

    Science.gov (United States)

    Rout, Bapin Kumar; Brooks, Geoff; Rhamdhani, M. Akbar; Li, Zushu; Schrama, Frank N. H.; Sun, Jianjun

    2018-04-01

    A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag-bulk metal zone, (iii) slag-metal-gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag-metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic FetO generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling FetO content in the slag and the kinetics of Mn and P in a BOF process.

  19. Modelling reveals kinetic advantages of co-transcriptional splicing.

    Directory of Open Access Journals (Sweden)

    Stuart Aitken

    2011-10-01

    Full Text Available Messenger RNA splicing is an essential and complex process for the removal of intron sequences. Whereas the composition of the splicing machinery is mostly known, the kinetics of splicing, the catalytic activity of splicing factors and the interdependency of transcription, splicing and mRNA 3' end formation are less well understood. We propose a stochastic model of splicing kinetics that explains data obtained from high-resolution kinetic analyses of transcription, splicing and 3' end formation during induction of an intron-containing reporter gene in budding yeast. Modelling reveals co-transcriptional splicing to be the most probable and most efficient splicing pathway for the reporter transcripts, due in part to a positive feedback mechanism for co-transcriptional second step splicing. Model comparison is used to assess the alternative representations of reactions. Modelling also indicates the functional coupling of transcription and splicing, because both the rate of initiation of transcription and the probability that step one of splicing occurs co-transcriptionally are reduced, when the second step of splicing is abolished in a mutant reporter.

  20. Modelling reveals kinetic advantages of co-transcriptional splicing.

    Science.gov (United States)

    Aitken, Stuart; Alexander, Ross D; Beggs, Jean D

    2011-10-01

    Messenger RNA splicing is an essential and complex process for the removal of intron sequences. Whereas the composition of the splicing machinery is mostly known, the kinetics of splicing, the catalytic activity of splicing factors and the interdependency of transcription, splicing and mRNA 3' end formation are less well understood. We propose a stochastic model of splicing kinetics that explains data obtained from high-resolution kinetic analyses of transcription, splicing and 3' end formation during induction of an intron-containing reporter gene in budding yeast. Modelling reveals co-transcriptional splicing to be the most probable and most efficient splicing pathway for the reporter transcripts, due in part to a positive feedback mechanism for co-transcriptional second step splicing. Model comparison is used to assess the alternative representations of reactions. Modelling also indicates the functional coupling of transcription and splicing, because both the rate of initiation of transcription and the probability that step one of splicing occurs co-transcriptionally are reduced, when the second step of splicing is abolished in a mutant reporter.

  1. A multi water bag model of drift kinetic electron plasma

    International Nuclear Information System (INIS)

    Morel, P.; Dreydemy Ghiro, F.; Berionni, V.; Gurcan, O.D.; Coulette, D.; Besse, N.

    2014-01-01

    A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)]. (authors)

  2. Bayesian inference of chemical kinetic models from proposed reactions

    KAUST Repository

    Galagali, Nikhil

    2015-02-01

    © 2014 Elsevier Ltd. Bayesian inference provides a natural framework for combining experimental data with prior knowledge to develop chemical kinetic models and quantify the associated uncertainties, not only in parameter values but also in model structure. Most existing applications of Bayesian model selection methods to chemical kinetics have been limited to comparisons among a small set of models, however. The significant computational cost of evaluating posterior model probabilities renders traditional Bayesian methods infeasible when the model space becomes large. We present a new framework for tractable Bayesian model inference and uncertainty quantification using a large number of systematically generated model hypotheses. The approach involves imposing point-mass mixture priors over rate constants and exploring the resulting posterior distribution using an adaptive Markov chain Monte Carlo method. The posterior samples are used to identify plausible models, to quantify rate constant uncertainties, and to extract key diagnostic information about model structure-such as the reactions and operating pathways most strongly supported by the data. We provide numerical demonstrations of the proposed framework by inferring kinetic models for catalytic steam and dry reforming of methane using available experimental data.

  3. Columnar and Equiaxed Solidification of Al-7 wt.% Si Alloys in Reduced Gravity in the Framework of the CETSOL Project

    Science.gov (United States)

    Zimmermann, G.; Sturz, L.; Nguyen-Thi, H.; Mangelinck-Noel, N.; Li, Y. Z.; Gandin, C.-A.; Fleurisson, R.; Guillemot, G.; McFadden, S.; Mooney, R. P.; Voorhees, P.; Roosz, A.; Ronaföldi, A.; Beckermann, C.; Karma, A.; Chen, C.-H.; Warnken, N.; Saad, A.; Grün, G.-U.; Grohn, M.; Poitrault, I.; Pehl, T.; Nagy, I.; Todt, D.; Minster, O.; Sillekens, W.

    2017-08-01

    During casting, often a dendritic microstructure is formed, resulting in a columnar or an equiaxed grain structure, or leading to a transition from columnar to equiaxed growth (CET). The detailed knowledge of the critical parameters for the CET is important because the microstructure affects materials properties. To provide unique data for testing of fundamental theories of grain and microstructure formation, solidification experiments in microgravity environment were performed within the European Space Agency Microgravity Application Promotion (ESA MAP) project Columnar-to-Equiaxed Transition in SOLidification Processing (CETSOL). Reduced gravity allows for purely diffusive solidification conditions, i.e., suppressing melt flow and sedimentation and floatation effects. On-board the International Space Station, Al-7 wt.% Si alloys with and without grain refiners were solidified in different temperature gradients and with different cooling conditions. Detailed analysis of the microstructure and the grain structure showed purely columnar growth for nonrefined alloys. The CET was detected only for refined alloys, either as a sharp CET in the case of a sudden increase in the solidification velocity or as a progressive CET in the case of a continuous decrease of the temperature gradient. The present experimental data were used for numerical modeling of the CET with three different approaches: (1) a front tracking model using an equiaxed growth model, (2) a three-dimensional (3D) cellular automaton-finite element model, and (3) a 3D dendrite needle network method. Each model allows for predicting the columnar dendrite tip undercooling and the growth rate with respect to time. Furthermore, the positions of CET and the spatial extent of the CET, being sharp or progressive, are in reasonably good quantitative agreement with experimental measurements.

  4. Development of a numerical simulation method for melting/solidification and dissolution/precipitation phenomena. 1. Literature survey for computer program design

    International Nuclear Information System (INIS)

    Uchibori, Akihiro; Ohshima, Hiroyuki

    2004-04-01

    Survey research of numerical methods for melting/solidification and dissolution/precipitation phenomena was performed to determine the policy for a simulation program development. Melting/solidification and dissolution/ precipitation have been key issues for feasibility evaluation of several techniques applied in the nuclear fuel cycle processes. Physical models for single-component melting/solidification, two-component solution solidification or precipitation by cooling and precipitation by electrolysis, which are moving boundary problems, were made clear from the literature survey. The transport equations are used for thermal hydraulic analysis in the solid and the liquid regions. Behavior of the solid-liquid interface is described by the heat and mass transfer model. These physical models need to be introduced into the simulation program. The numerical methods for the moving boundary problems are categorized into two types: interface tracking method and interface capturing method. Based on the classification, performance of each numerical method was evaluated. The interface tracking method using the Lagrangian moving mesh requires relatively complicated algorithm. The algorithm has high accuracy for predicting the moving interface. On the other hand, the interface capturing method uses the Eulerian fixing mesh, leading to simple algorithm. Prediction accuracy of the method is relatively low. The extended finite element method classified as the interface capturing method can predict the interface behavior accurately even though the Eulerian fixing mesh is used. We decided to apply the extended finite element method to the simulation program. (author)

  5. Al-Si-Re Alloys Cast by the Rapid Solidification Process / Stopy Al-Si-Re Odlewane Metodą Rapid Solidification

    Directory of Open Access Journals (Sweden)

    Szymanek M.

    2015-12-01

    Full Text Available The aim of the studies described in this article was to present the effect of rare earth elements on aluminium alloys produced by an unconventional casting technique. The article gives characteristics of the thin strip of Al-Si-RE alloy produced by Rapid Solidification (RS. The effect of rare earth elements on structure refinement, i.e. on the size of near-eutectic crystallites in an aluminium-silicon alloy, was discussed. To determine the size of crystallites, the Scherrer X-ray diffraction method was used. The results presented capture relationships showing the effect of variable casting parameters and chemical composition on microstructure of the examined alloys. Rapid Solidification applied to Al-Si alloys with the addition of mischmetal (Ce, La, Ne, Pr refines their structure.

  6. Comparative study of solute trapping and Gibbs free energy changes at the phase interface during alloy solidification under local nonequilibrium conditions

    Energy Technology Data Exchange (ETDEWEB)

    Sobolev, S. L., E-mail: sobolev@icp.ac.ru [Russian Academy of Sciences, Institute of Problems of Chemical Physics (Russian Federation)

    2017-03-15

    An analytical model has been developed to describe the influence of solute trapping during rapid alloy solidification on the components of the Gibbs free energy change at the phase interface with emphasis on the solute drag energy. For relatively low interface velocity V < V{sub D}, where V{sub D} is the characteristic diffusion velocity, all the components, namely mixing part, local nonequilibrium part, and solute drag, significantly depend on solute diffusion and partitioning. When V ≥ V{sub D}, the local nonequilibrium effects lead to a sharp transition to diffusionless solidification. The transition is accompanied by complete solute trapping and vanishing solute drag energy, i.e. partitionless and “dragless” solidification.

  7. Microwave solidification project overview

    Energy Technology Data Exchange (ETDEWEB)

    Sprenger, G.

    1993-01-01

    The Rocky Flats Plant Microwave Solidification Project has application potential to the Mixed Waste Treatment Project and the The Mixed Waste Integrated Program. The technical areas being addressed include (1) waste destruction and stabilization; (2) final waste form; and (3) front-end waste handling and feed preparation. This document covers need for such a program; technology description; significance; regulatory requirements; and accomplishments to date. A list of significant reports published under this project is included.

  8. Microwave solidification project overview

    International Nuclear Information System (INIS)

    Sprenger, G.

    1993-01-01

    The Rocky Flats Plant Microwave Solidification Project has application potential to the Mixed Waste Treatment Project and the The Mixed Waste Integrated Program. The technical areas being addressed include (1) waste destruction and stabilization; (2) final waste form; and (3) front-end waste handling and feed preparation. This document covers need for such a program; technology description; significance; regulatory requirements; and accomplishments to date. A list of significant reports published under this project is included

  9. Relationship Between Solidification Microstructure and Hot Cracking Susceptibility for Continuous Casting of Low-Carbon and High-Strength Low-Alloyed Steels: A Phase-Field Study

    Science.gov (United States)

    Böttger, B.; Apel, M.; Santillana, B.; Eskin, D. G.

    2013-08-01

    Hot cracking is one of the major defects in continuous casting of steels, frequently limiting the productivity. To understand the factors leading to this defect, microstructure formation is simulated for a low-carbon and two high-strength low-alloyed steels. 2D simulation of the initial stage of solidification is performed in a moving slice of the slab using proprietary multiphase-field software and taking into account all elements which are expected to have a relevant effect on the mechanical properties and structure formation during solidification. To account for the correct thermodynamic and kinetic properties of the multicomponent alloy grades, the simulation software is online coupled to commercial thermodynamic and mobility databases. A moving-frame boundary condition allows traveling through the entire solidification history starting from the slab surface, and tracking the morphology changes during growth of the shell. From the simulation results, significant microstructure differences between the steel grades are quantitatively evaluated and correlated with their hot cracking behavior according to the Rappaz-Drezet-Gremaud (RDG) hot cracking criterion. The possible role of the microalloying elements in hot cracking, in particular of traces of Ti, is analyzed. With the assumption that TiN precipitates trigger coalescence of the primary dendrites, quantitative evaluation of the critical strain rates leads to a full agreement with the observed hot cracking behavior.

  10. In situ synchrotron x-ray characterization of microstructure formation in solidification processing of Al-based metallic alloys

    International Nuclear Information System (INIS)

    Billia, Bernard; Nguyen-Thi, Henri; Mangelinck-Noel, Nathalie

    2010-01-01

    The microstructure formed during the solidification step has a major influence on the properties of materials processed by major techniques (casting, welding ...). In situ and real-time characterization by synchrotron X-ray imaging is the method of choice to unveil the dynamical formation of the solidification microstructure in metallic alloys, and thus provide precise data for the critical validation of the theoretical predictions that is needed for sound advancement of modeling and numerical simulation. After a description of the experimental procedure used at the European Synchrotron Radiation Facility (ESRF), dynamical phenomena in the formation of the grain structure and dendritic or equiaxed solidification microstructure in Al-based alloys are presented. Beyond fluid flow interaction, earth gravity induces stresses, deformation and fragmentation in the dendritic mush. Settling of dendrite arms and equiaxed grains thus occurs, in particular in the columnar to equiaxed transition. Other types of stresses and strains are caused by the mere formation of the solidification microstructure itself. In white-beam X-ray topography, stresses and strains are manifested by specific contrasts and breaking of the Laue images into several pieces. Finally, quantitative analysis of the grey level in radiographs enables the analysis of solute segregation, which noticeably results in solutal poisoning of growth when equiaxed grains are interacting. (author)

  11. Modeling uptake kinetics of cadmium by field-grown lettuce

    Energy Technology Data Exchange (ETDEWEB)

    Chen Weiping [Department of Environmental Sciences, University of California, 900 University Avenue, Riverside, CA 92521 (United States)], E-mail: chenweip@yahoo.com.cn; Li Lianqing [Institute of Resources, Ecosystem and Environment of Agriculture, Nanjing Agricultural University, Nanjing 210095 (China); Chang, Andrew C.; Wu Laosheng [Department of Environmental Sciences, University of California, 900 University Avenue, Riverside, CA 92521 (United States); Kwon, Soon-Ik [Agricultural Environmental and Ecology Division, National Institute of Agricultural Science and Technology, Suwon 441-707 (Korea, Republic of); Bottoms, Rick [Desert Research and Extension Center, 1004 East Holton Road, El Centro, CA 92243 (United States)

    2008-03-15

    Cadmium uptake by field grown Romaine lettuce treated with P-fertilizers of different Cd levels was investigated over an entire growing season. Results indicated that the rate of Cd uptake at a given time of the season can be satisfactorily described by the Michaelis-Menten kinetics, that is, plant uptake increases as the Cd concentration in soil solution increases, and it gradually approaches a saturation level. However, the rate constant of the Michaelis-Menten kinetics changes over the growing season. Under a given soil Cd level, the cadmium content in plant tissue decreases exponentially with time. To account for the dynamic nature of Cd uptake, a kinetic model integrating the time factor was developed to simulate Cd plant uptake over the growing season: C{sub Plant} = C{sub Solution} . PUF{sub max} . exp[-b . t], where C{sub Plant} and C{sub Solution} refer to the Cd content in plant tissue and soil solution, respectively, PUF{sub max} and b are kinetic constants. - A kinetic model was developed to evaluate the uptake of Cd under field conditions.

  12. Modeling uptake kinetics of cadmium by field-grown lettuce

    International Nuclear Information System (INIS)

    Chen Weiping; Li Lianqing; Chang, Andrew C.; Wu Laosheng; Kwon, Soon-Ik; Bottoms, Rick

    2008-01-01

    Cadmium uptake by field grown Romaine lettuce treated with P-fertilizers of different Cd levels was investigated over an entire growing season. Results indicated that the rate of Cd uptake at a given time of the season can be satisfactorily described by the Michaelis-Menten kinetics, that is, plant uptake increases as the Cd concentration in soil solution increases, and it gradually approaches a saturation level. However, the rate constant of the Michaelis-Menten kinetics changes over the growing season. Under a given soil Cd level, the cadmium content in plant tissue decreases exponentially with time. To account for the dynamic nature of Cd uptake, a kinetic model integrating the time factor was developed to simulate Cd plant uptake over the growing season: C Plant = C Solution . PUF max . exp[-b . t], where C Plant and C Solution refer to the Cd content in plant tissue and soil solution, respectively, PUF max and b are kinetic constants. - A kinetic model was developed to evaluate the uptake of Cd under field conditions

  13. Temperature and Pressure Evolution during Al Alloy Solidification at Different Squeeze Pressures

    International Nuclear Information System (INIS)

    Li, Junwen; Zhao, Haidong; Chen, Zhenming

    2015-01-01

    Squeeze casting is an advanced and near net-shape casting process, in which external high pressure is applied to solidifying castings. The castings are characterized with fine grains and good mechanical properties. In this study, a series of experiments were carried out to measure the temperature and pressure histories in cavity of Al-Si-Mg direct squeeze castings with different applied solidification pressures of 0.1, 50, 75, and 100 MPa. The evolution of the measured temperatures and pressures was compared and discussed. The effect of pressure change on formation of shrinkage defects was analyzed. Further the friction between the castings and dies during solidification was calculated. It is shown that the applied squeeze pressure has significant influence on the friction at die and casting interfaces, which affects the pressure evolution and transmission. The results could provide some benchmark data for future thermal-mechanics coupled modeling of squeeze castings. (paper)

  14. Macrosegregation Caused by Convection Associated with Directional Solidification through Cross-Section Change

    Science.gov (United States)

    Ghods, M.; Lauer, M.; Tewari, S. N.; Poirier, D. R..; Grugel, R. N.

    2015-01-01

    Al-7 wt% Si and Pb-6 wt% Sb alloy samples were directionally solidified (DS), with liquid above and solid below and gravity pointing down, in cylindrical graphite crucibles through an abrupt cross-section change. Fraction eutectic distribution in the microstructure, primary dendrite spacing and primary dendrite trunk diameters have been measured in the DS samples in the vicinity of section change in order to examine the effect of convection associated with the combined influence of thermosolutal factors and solidification shrinkage. It is observed that convection not only produces extensive radial and axial macrosegregation near cross-section change, it also affects the dendritic array morphology. Primary dendrite spacing and primary dendrite trunk diameter, both, are influenced by this convection. In addition to the experimental results, preliminary results from a numerical model which includes solidification shrinkage and thermosolutal convection in the mushy zone in its analysis will also be presented

  15. Solidification of highly active liquid waste

    International Nuclear Information System (INIS)

    Morris, J.B.

    1985-03-01

    This document contains the annual progress reports on the following subjects: Joule ceramic melter; microwave vitrification; glass technology; identification, evaluation and review of potential alternative solidification processes; rotary kiln calcination; alternative glass feedstocks; volatile ruthenium trapping by solid adsorbents; irrigated baffle column dust scrubber. (author)

  16. Centralized cement solidification technique for low-level radioactive wastes

    International Nuclear Information System (INIS)

    Matsuda, Masami; Nishi, Takashi; Izumida, Tatsuo; Tsuchiya, Hiroyuki.

    1996-01-01

    A centralized cement solidification system has been developed to enable a single facility to solidify such low-level radioactive wastes as liquid waste, spent ion exchange resin, incineration ash, and miscellaneous solid wastes. Since the system uses newly developed high-performance cement, waste loading is raised and deterioration of waste forms after land burial prevented. This paper describes the centralized cement solidification system and the features of the high-performance cement. Results of full-scale pilot plant tests are also shown from the viewpoint of industrial applicability. (author)

  17. Utilization of coal fly ash in solidification of liquid radioactive waste from research reactor.

    Science.gov (United States)

    Osmanlioglu, Ahmet Erdal

    2014-05-01

    In this study, the potential utilization of fly ash was investigated as an additive in solidification process of radioactive waste sludge from research reactor. Coal formations include various percentages of natural radioactive elements; therefore, coal fly ash includes various levels of radioactivity. For this reason, fly ashes have to be evaluated for potential environmental implications in case of further usage in any construction material. But for use in solidification of radioactive sludge, the radiological effects of fly ash are in the range of radioactive waste management limits. The results show that fly ash has a strong fixing capacity for radioactive isotopes. Specimens with addition of 5-15% fly ash to concrete was observed to be sufficient to achieve the target compressive strength of 20 MPa required for near-surface disposal. An optimum mixture comprising 15% fly ash, 35% cement, and 50% radioactive waste sludge could provide the solidification required for long-term storage and disposal. The codisposal of radioactive fly ash with radioactive sludge by solidification decreases the usage of cement in solidification process. By this method, radioactive fly ash can become a valuable additive instead of industrial waste. This study supports the utilization of fly ash in industry and the solidification of radioactive waste in the nuclear industry.

  18. Solidification characteristics and segregation behavior of a P-containing Ni-Fe-Cr-based alloy

    Science.gov (United States)

    Wang, Changshuai; Su, Haijun; Guo, YongAn; Guo, Jianting; Zhou, Lanzhang

    2017-09-01

    Solidification characteristics and segregation behavior of a P-containing Ni-Fe-Cr-based alloy, considered as boiler and turbine materials in 700 °C advanced ultra-supercritical coal-fired power plants, have been investigated by differential thermal analysis and directional solidification quenching technique. Results reveal that P decreases the solidus temperature, but only has negligible influence on liquidus temperature. After P was added, the solidification sequence has no apparent change, but the width of the mushy zone increases and dendritic structures become coarser. Moreover, P increases the amount and changes the morphology of MC carbide. Energy-dispersive spectroscopy analysis reveals that P has obvious influence on the segregation behavior of the constitute elements with equilibrium partition coefficients (ki) far away from unity, whereas has negligible effect on the constituent elements with ki close to unity and has more influence on the final stage of solidification than at early stage. The distribution profiles reveal that P atoms pile up ahead of the solid/liquid (S/L) interface and strongly segregate to the interdendritic liquid region. The influence of P on solidification characteristics and segregation behavior of Ni-Fe-Cr-based alloy could be attributed to the accumulation of P ahead of the S/L interface during solidification.

  19. Solidification of low-level waste - a dilemma for the small user

    International Nuclear Information System (INIS)

    Harris, S.; Gilmore, A.

    1980-01-01

    The requirement that radioactive waste for sea disposal must be solidified by the originator is discussed. Attempts to solidify small quantities of radioactive waste such as contaminated oils and labelled benzyopyrene with other solvents are described. Encapsulation media tested were concrete and interior and exterior grade Polyfilla (a plaster and cellulose based filler). Problems were presented by the difficulty of mixing the materials and by the maximum uptake of solvents while still allowing solidification. In all cases a soft crumbling material resulted. It is concluded that solidification processing on a small scale does not make economic or scientific sense and that if solidification is necessary it would be better carried out as a national operation by collecting liquids from users. (U.K.)

  20. Comparison of kinetic and fluid neutral models for attached and detached state

    International Nuclear Information System (INIS)

    Furubayashi, M.; Hoshino, K.; Toma, M.; Hatayama, A.; Coster, D.; Schneider, R.; Bonnin, X.; Kawashima, H.; Asakura, N.; Suzuki, Y.

    2009-01-01

    Neutral behavior has an important role in the transport simulations of the edge plasma. Most of the edge plasma transport codes treat neutral particles by a simple fluid model or a kinetic model. The fluid model allows faster calculations. However, the applicability of the fluid model is limited. In this study, simulation results of JT-60U from kinetic neutral model and fluid neutral model are compared under the attached and detached state, using the 2D edge plasma code package, SOLPS5.0. In the SOL region, no significant differences are observed in the upstream plasma profiles between kinetic and fluid neutral models. However, in the divertor region, large differences are observed in plasma and neutral profiles. Therefore, further optimization of the fluid neutral model should be performed. Otherwise kinetic neutral model should be used to analyze the divertor region.

  1. Point kinetics model with one-dimensional (radial) heat conduction formalism

    International Nuclear Information System (INIS)

    Jain, V.K.

    1989-01-01

    A point-kinetics model with one-dimensional (radial) heat conduction formalism has been developed. The heat conduction formalism is based on corner-mesh finite difference method. To get average temperatures in various conducting regions, a novel weighting scheme has been devised. The heat conduction model has been incorporated in the point-kinetics code MRTF-FUEL. The point-kinetics equations are solved using the method of real integrating factors. It has been shown by analysing the simulation of hypothetical loss of regulation accident in NAPP reactor that the model is superior to the conventional one in accuracy and speed of computation. (author). 3 refs., 3 tabs

  2. Stepwise kinetic equilibrium models of quantitative polymerase chain reaction

    Directory of Open Access Journals (Sweden)

    Cobbs Gary

    2012-08-01

    Full Text Available Abstract Background Numerous models for use in interpreting quantitative PCR (qPCR data are present in recent literature. The most commonly used models assume the amplification in qPCR is exponential and fit an exponential model with a constant rate of increase to a select part of the curve. Kinetic theory may be used to model the annealing phase and does not assume constant efficiency of amplification. Mechanistic models describing the annealing phase with kinetic theory offer the most potential for accurate interpretation of qPCR data. Even so, they have not been thoroughly investigated and are rarely used for interpretation of qPCR data. New results for kinetic modeling of qPCR are presented. Results Two models are presented in which the efficiency of amplification is based on equilibrium solutions for the annealing phase of the qPCR process. Model 1 assumes annealing of complementary targets strands and annealing of target and primers are both reversible reactions and reach a dynamic equilibrium. Model 2 assumes all annealing reactions are nonreversible and equilibrium is static. Both models include the effect of primer concentration during the annealing phase. Analytic formulae are given for the equilibrium values of all single and double stranded molecules at the end of the annealing step. The equilibrium values are then used in a stepwise method to describe the whole qPCR process. Rate constants of kinetic models are the same for solutions that are identical except for possibly having different initial target concentrations. Analysis of qPCR curves from such solutions are thus analyzed by simultaneous non-linear curve fitting with the same rate constant values applying to all curves and each curve having a unique value for initial target concentration. The models were fit to two data sets for which the true initial target concentrations are known. Both models give better fit to observed qPCR data than other kinetic models present in the

  3. Stepwise kinetic equilibrium models of quantitative polymerase chain reaction.

    Science.gov (United States)

    Cobbs, Gary

    2012-08-16

    Numerous models for use in interpreting quantitative PCR (qPCR) data are present in recent literature. The most commonly used models assume the amplification in qPCR is exponential and fit an exponential model with a constant rate of increase to a select part of the curve. Kinetic theory may be used to model the annealing phase and does not assume constant efficiency of amplification. Mechanistic models describing the annealing phase with kinetic theory offer the most potential for accurate interpretation of qPCR data. Even so, they have not been thoroughly investigated and are rarely used for interpretation of qPCR data. New results for kinetic modeling of qPCR are presented. Two models are presented in which the efficiency of amplification is based on equilibrium solutions for the annealing phase of the qPCR process. Model 1 assumes annealing of complementary targets strands and annealing of target and primers are both reversible reactions and reach a dynamic equilibrium. Model 2 assumes all annealing reactions are nonreversible and equilibrium is static. Both models include the effect of primer concentration during the annealing phase. Analytic formulae are given for the equilibrium values of all single and double stranded molecules at the end of the annealing step. The equilibrium values are then used in a stepwise method to describe the whole qPCR process. Rate constants of kinetic models are the same for solutions that are identical except for possibly having different initial target concentrations. Analysis of qPCR curves from such solutions are thus analyzed by simultaneous non-linear curve fitting with the same rate constant values applying to all curves and each curve having a unique value for initial target concentration. The models were fit to two data sets for which the true initial target concentrations are known. Both models give better fit to observed qPCR data than other kinetic models present in the literature. They also give better estimates of

  4. Retrofit of radwaste solidification systems in Spain

    International Nuclear Information System (INIS)

    Rorcillo, R.; Virzi, E.

    1983-01-01

    In order to meet current Spanish engineering criteria as well as to provide for likely future Spanish Regulatory requirements, utilities committed to a major policy change in the preferred radwaste solidification media. In the early 1970's Spanish utilities, following the United States experience, purchased inexpensive solidification systems which used urea formaldehyde (UF) as the binding matrix. By the late 1970's the Spanish utilities, seeing the deterioration of the UF position and slow progress toward its improvement, unilaterally changed their binding matrix to cement. This paper illustrates the implementation of this change at the ASCO Nuclear Plant. The problems of layout modifications, shortened delivery schedule and criteria unique for Spain are addressed. Also presented is the operating experience acquired during the pre-operational start-up of the ASCO I Radwaste System

  5. Linear Stability of Binary Alloy Solidification for Unsteady Growth Rates

    Science.gov (United States)

    Mazuruk, K.; Volz, M. P.

    2010-01-01

    An extension of the Mullins and Sekerka (MS) linear stability analysis to the unsteady growth rate case is considered for dilute binary alloys. In particular, the stability of the planar interface during the initial solidification transient is studied in detail numerically. The rapid solidification case, when the system is traversing through the unstable region defined by the MS criterion, has also been treated. It has been observed that the onset of instability is quite accurately defined by the "quasi-stationary MS criterion", when the growth rate and other process parameters are taken as constants at a particular time of the growth process. A singular behavior of the governing equations for the perturbed quantities at the constitutional supercooling demarcation line has been observed. However, when the solidification process, during its transient, crosses this demarcation line, a planar interface is stable according to the linear analysis performed.

  6. Ensemble Kinetic Modeling of Metabolic Networks from Dynamic Metabolic Profiles

    Directory of Open Access Journals (Sweden)

    Gengjie Jia

    2012-11-01

    Full Text Available Kinetic modeling of metabolic pathways has important applications in metabolic engineering, but significant challenges still remain. The difficulties faced vary from finding best-fit parameters in a highly multidimensional search space to incomplete parameter identifiability. To meet some of these challenges, an ensemble modeling method is developed for characterizing a subset of kinetic parameters that give statistically equivalent goodness-of-fit to time series concentration data. The method is based on the incremental identification approach, where the parameter estimation is done in a step-wise manner. Numerical efficacy is achieved by reducing the dimensionality of parameter space and using efficient random parameter exploration algorithms. The shift toward using model ensembles, instead of the traditional “best-fit” models, is necessary to directly account for model uncertainty during the application of such models. The performance of the ensemble modeling approach has been demonstrated in the modeling of a generic branched pathway and the trehalose pathway in Saccharomyces cerevisiae using generalized mass action (GMA kinetics.

  7. Kinetic parameter estimation model for anaerobic co-digestion of waste activated sludge and microalgae.

    Science.gov (United States)

    Lee, Eunyoung; Cumberbatch, Jewel; Wang, Meng; Zhang, Qiong

    2017-03-01

    Anaerobic co-digestion has a potential to improve biogas production, but limited kinetic information is available for co-digestion. This study introduced regression-based models to estimate the kinetic parameters for the co-digestion of microalgae and Waste Activated Sludge (WAS). The models were developed using the ratios of co-substrates and the kinetic parameters for the single substrate as indicators. The models were applied to the modified first-order kinetics and Monod model to determine the rate of hydrolysis and methanogenesis for the co-digestion. The results showed that the model using a hyperbola function was better for the estimation of the first-order kinetic coefficients, while the model using inverse tangent function closely estimated the Monod kinetic parameters. The models can be used for estimating kinetic parameters for not only microalgae-WAS co-digestion but also other substrates' co-digestion such as microalgae-swine manure and WAS-aquatic plants. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. Thermodynamic and kinetic modelling: creep resistant materials

    DEFF Research Database (Denmark)

    Hald, John; Korcakova, L.; Danielsen, Hilmar Kjartansson

    2008-01-01

    The use of thermodynamic and kinetic modelling of microstructure evolution in materials exposed to high temperatures in power plants is demonstrated with two examples. Precipitate stability in martensitic 9–12%Cr steels is modelled including equilibrium phase stability, growth of Laves phase part...

  9. Solidification of high-level radioactive wastes. Final report

    International Nuclear Information System (INIS)

    1979-06-01

    A panel on waste solidification was formed at the request of the Nuclear Regulatory Commission to study the scientific and technological problems associated with the conversion of liquid and semiliquid high-level radioactive wastes into a stable form suitable for transportation and disposition. Conclusions reached and recommendations made are as follows. Many solid forms described in this report could meet standards as stringent as those currently applied to the handling, storage, and transportation of spent fuel assemblies. Solid waste forms should be selected only in the context of the total radioactive waste management system. Many solid forms are likely to be satisfactory for use in an appropriately designed system, The current United States policy of deferring the reprocessing of commercial reactor fuel provides additional time for R and D solidification technology for this class of wastes. Defense wastes which are relatively low in radioactivity and thermal power density can best be solidified by low-temperature processes. For solidification of fresh commercial wastes that are high in specific activity and thermal power density, the Panel recommends that, in addition to glass, the use of fully-crystalline ceramics and metal-matrix forms be actively considered. Preliminary analysis of the characteristics of spent fuel pins indicates that they may be eligible for consideration as a waste form. Because the differences in potential health hazards to the public resulting from the use of various solid form and disposal options are likely to be small, the Panel concludes that cost, reliability, and health hazards to operating personnel will be major considerations in choosing among the options that can meet safety requiremens. The Panel recommends that responsibility for all radioactive waste management operations (including solidification R and D) should be centralized

  10. Solidification process for toxic and hazardous wastes. Second part: Cement solidification matrices; Inertizzazione di rifiuti tossici e nocivi (RTN). Parte seconda: Inertizzazione in matrici cementizie

    Energy Technology Data Exchange (ETDEWEB)

    Donato, A; Arcuri, L; Dotti, M; Pace, A; Pietrelli, L; Ricci, G [ENEA - Dipartimento Ciclo del Combustibile, Centro Ricerche Energia, Casaccia (Italy); Basta, M; Cali, V; Pagliai, V [ENEA - Dipartimento Ciclo del Combustibile, Centro Ricerche Energia, Saluggia (Italy)

    1989-05-15

    This paper reports the second part of a general study carried out at the Nuclear Fuel Division aiming at verifying the possible application of the radioactive waste solidification processes to industrial hazardous wastes (RTN). The cement solidification of several RTN types has been taken into consideration, both from the technical and from the economic point of view. After a short examination of the Italian juridical and economical situation in the field, which demonstrates the need of the RTN solidification, the origin and characteristics of the RTN considered in the study and directly provided by the producing industries are reviewed. The laboratory experimental results of the cementation of RTN produced by gold manufacturing industries and by galvanic industries are reported. The cementation process can be considered a very effective mean for reducing both the RTN management costs and the environmental impact of RTN disposal. (author)

  11. Variation in diffusion-induced solidification rate of liquated Ni-Cr-B insert during TLP bonding of Waspaloy superalloy

    International Nuclear Information System (INIS)

    Tokoro, K.; Wikstrom, N.P.; Ojo, O.A.; Chaturvedi, M.C.

    2008-01-01

    A microstructural study was performed on transient liquid phase (TLP) bonded Waspaloy superalloy with a Ni-Cr-B filler. The applicability of a diffusion model based on Fick's second law of diffusion to determine the time required for complete isothermal solidification (t f ) was investigated. Over the temperature range of 1065-1110 deg. C, experimental observations of t f were in reasonable agreement with t f values predicted by the diffusion model. However, a notable deviation was observed in joints prepared between 1175 and 1225 deg. C in that the rate of isothermal solidification was reduced at these temperatures resulting in the formation of a centerline eutectic-type microconstituent, which in contrast, was prevented from forming after holding the brazing assembly for an equivalent bonding time at a lower temperature of 1145 deg. C. Boride particles were observed as part of the eutectic product, which suggested that diffusion of boron out of the liquated insert was also reduced at these higher temperatures. A decrease in solubility of the melting point depressing solute, boron, with increase in temperature is suggested to be an important factor contributing to the reduction in isothermal solidification rate observed at the higher bonding temperatures

  12. Experimental and Chemical Kinetic Modeling Study of Dimethylcyclohexane Oxidation and Pyrolysis

    KAUST Repository

    Eldeeb, Mazen A.

    2016-08-30

    A combined experimental and chemical kinetic modeling study of the high-temperature ignition and pyrolysis of 1,3-dimethylcyclohexane (13DMCH) is presented. Ignition delay times are measured behind reflected shock waves over a temperature range of 1049–1544 K and pressures of 3.0–12 atm. Pyrolysis is investigated at average pressures of 4.0 atm at temperatures of 1238, 1302, and 1406 K. By means of mid-infrared direct laser absorption at 3.39 μm, fuel concentration time histories are measured under ignition and pyrolytic conditions. A detailed chemical kinetic model for 13DMCH combustion is developed. Ignition measurements show that the ignition delay times of 13DMCH are longer than those of its isomer, ethylcyclohexane. The proposed chemical kinetic model predicts reasonably well the effects of equivalence ratio and pressure, with overall good agreement between predicted and measured ignition delay times, except at low dilution levels and high pressures. Simulated fuel concentration profiles agree reasonably well with the measured profiles, and both highlight the influence of pyrolysis on the overall ignition kinetics at high temperatures. Sensitivity and reaction pathway analyses provide further insight into the kinetic processes controlling ignition and pyrolysis. The work contributes toward improved understanding and modeling of the oxidation and pyrolysis kinetics of cycloalkanes.

  13. Systematic construction of kinetic models from genome-scale metabolic networks.

    Directory of Open Access Journals (Sweden)

    Natalie J Stanford

    Full Text Available The quantitative effects of environmental and genetic perturbations on metabolism can be studied in silico using kinetic models. We present a strategy for large-scale model construction based on a logical layering of data such as reaction fluxes, metabolite concentrations, and kinetic constants. The resulting models contain realistic standard rate laws and plausible parameters, adhere to the laws of thermodynamics, and reproduce a predefined steady state. These features have not been simultaneously achieved by previous workflows. We demonstrate the advantages and limitations of the workflow by translating the yeast consensus metabolic network into a kinetic model. Despite crudely selected data, the model shows realistic control behaviour, a stable dynamic, and realistic response to perturbations in extracellular glucose concentrations. The paper concludes by outlining how new data can continuously be fed into the workflow and how iterative model building can assist in directing experiments.

  14. Systematic Construction of Kinetic Models from Genome-Scale Metabolic Networks

    Science.gov (United States)

    Smallbone, Kieran; Klipp, Edda; Mendes, Pedro; Liebermeister, Wolfram

    2013-01-01

    The quantitative effects of environmental and genetic perturbations on metabolism can be studied in silico using kinetic models. We present a strategy for large-scale model construction based on a logical layering of data such as reaction fluxes, metabolite concentrations, and kinetic constants. The resulting models contain realistic standard rate laws and plausible parameters, adhere to the laws of thermodynamics, and reproduce a predefined steady state. These features have not been simultaneously achieved by previous workflows. We demonstrate the advantages and limitations of the workflow by translating the yeast consensus metabolic network into a kinetic model. Despite crudely selected data, the model shows realistic control behaviour, a stable dynamic, and realistic response to perturbations in extracellular glucose concentrations. The paper concludes by outlining how new data can continuously be fed into the workflow and how iterative model building can assist in directing experiments. PMID:24324546

  15. Experimental and modeling investigation on structure H hydrate formation kinetics

    International Nuclear Information System (INIS)

    Mazraeno, M. Seyfi; Varaminian, F.; Vafaie sefti, M.

    2013-01-01

    Highlights: • Applying affinity model for the formation kinetics of sH hydrate and two stage kinetics. • Performing the experiments of hydrate formation of sH with MCP. • A unique path for the SH hydrate formation. - Abstract: In this work, the kinetics of crystal H hydrate and two stage kinetics formation is modeled by using the chemical affinity model for the first time. The basic idea is that there is a unique path for each experiment by which the crystallization process decays the affinity. The experiments were performed at constant temperatures of 274.15, 275.15, 275.65, 276.15 and 277.15 K. The initial pressure of each experiment is up to 25 bar above equilibrium pressure of sI. Methylcyclohexane (MCH), methylcyclopentane (MCP) and tert-butyl methyl ether (TBME) are used as sH former and methane is used as a help gas. The parameters of the affinity model (A r and t k ) are determined and the results show that the parameter of (A r )/(RT) has not a constant value when temperature changes in each group of experiments. The results indicate that this model can predict experimental data very well at several conditions

  16. A two-point kinetic model for the PROTEUS reactor

    International Nuclear Information System (INIS)

    Dam, H. van.

    1995-03-01

    A two-point reactor kinetic model for the PROTEUS-reactor is developed and the results are described in terms of frequency dependent reactivity transfer functions for the core and the reflector. It is shown that at higher frequencies space-dependent effects occur which imply failure of the one-point kinetic model. In the modulus of the transfer functions these effects become apparent above a radian frequency of about 100 s -1 , whereas for the phase behaviour the deviation from a point model already starts at a radian frequency of 10 s -1 . (orig.)

  17. Modeling Kinetics of Distortion in Porous Bi-layered Structures

    DEFF Research Database (Denmark)

    Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Bjørk, Rasmus

    2013-01-01

    because of different sintering rates of the materials resulting in undesired distortions of the component. An analytical model based on the continuum theory of sintering has been developed to describe the kinetics of densification and distortion in the sintering processes. A new approach is used...... to extract the material parameters controlling shape distortion through optimizing the model to experimental data of free shrinkage strains. The significant influence of weight of the sample (gravity) on the kinetics of distortion is taken in to consideration. The modeling predictions indicate good agreement...

  18. A kinetic-MHD model for low frequency phenomena

    International Nuclear Information System (INIS)

    Cheng, C.Z.

    1991-07-01

    A hybrid kinetic-MHD model for describing low-frequency phenomena in high beta anisotropic plasmas that consist of two components: a low energy core component and an energetic component with low density. The kinetic-MHD model treats the low energy core component by magnetohydrodynamic (MHD) description, the energetic component by kinetic approach such as the gyrokinetic equation, and the coupling between the dynamics of these two components through plasma pressure in the momentum equation. The kinetic-MHD model optimizes both the physics contents and the theoretical efforts in studying low frequency MHD waves and transport phenomena in general magnetic field geometries, and can be easily modified to include the core plasma kinetic effects if necessary. It is applicable to any magnetized collisionless plasma system where the parallel electric field effects are negligibly small. In the linearized limit two coupled eigenmode equations for describing the coupling between the transverse Alfven type and the compressional Alfven type waves are derived. The eigenmode equations are identical to those derived from the full gyrokinetic equation in the low frequency limit and were previously analyzed both analytically nd numerically to obtain the eigenmode structure of the drift mirror instability which explains successfully the multi-satellite observation of antisymmetric field-aligned structure of the compressional magnetic field of Pc 5 waves in the magnetospheric ring current plasma. Finally, a quadratic form is derived to demonstrate the stability of the low-frequency transverse and compressional Alfven type instabilities in terms of the pressure anisotropy parameter τ and the magnetic field curvature-pressure gradient parameter. A procedure for determining the stability of a marginally stable MHD wave due to wave-particle resonances is also presented

  19. Solidification of radioactive waste in a cement/lime mixture

    International Nuclear Information System (INIS)

    Zhou, H.; Colombo, P.

    1984-01-01

    The suitability of a cement/lime mixture for use as a solidification agent for different types of wastes was investigated. This work includes studies directed towards determining the wasted/binder compositional field over which successful solidification occurs with various wastes and the measurement of some of the waste from properties relevant to evaluating the potential for the release of radionuclides to the environment. In this study, four types of low-level radioactive wastes were simulated for incorporation into a cement/lime mixture. These were boric acid waste, sodium sulfate wastes, aion exchange resins and incinerator ash. 7 references, 3 figures, 2 tables

  20. A balance principle approach for modeling phase transformation kinetics

    International Nuclear Information System (INIS)

    Lusk, M.; Krauss, G.; Jou, H.J.

    1995-01-01

    A balance principle is offered to model volume fraction kinetics of phase transformation kinetics at a continuum level. This microbalance provides a differential equation for transformation kinetics which is coupled to the differential equations governing the mechanical and thermal aspects of the process. Application here is restricted to diffusive transformations for the sake of clarity, although the principle is discussed for martensitic phase transitions as well. Avrami-type kinetics are shown to result from a special class of energy functions. An illustrative example using a 0.5% C Chromium steel demonstrates how TTT and CCT curves can be generated using a particularly simple effective energy function. (orig.)

  1. INEL studies concerning solidification of low-level waste in cement

    International Nuclear Information System (INIS)

    Mandler, J.W.

    1989-01-01

    The Idaho National Engineering Laboratory (INEL) has performed numerous studies addressing issues concerning the solidification of low-level radioactive waste in cement. These studies have been performed for both the Nuclear Regulatory Commission (NRC) and the Department of Energy (DOE). This short presentation will only outline the major topics addressed in some of these studies, present a few conclusions, and identify some of the technical concerns we have. More details of the work and pertinent results will be given in the Working Group sessions. The topics that have been addressed at the INEL which are relevant to this Workshop include (1) solidification of ion-exchange resins and evaporator waste in cement at commercial nuclear power plants, (2) leachability and compressive strength of power plant waste solidified in cement, (3) suggested guidelines for preparation of a solid waste process control program (PCP), (4) cement solidification of EPICOR-II resin wastes, and (5) performance testing of cement-solidified EPICOR-II resin wastes

  2. Comparative evaluation of kinetic, equilibrium and semi-equilibrium models for biomass gasification

    Energy Technology Data Exchange (ETDEWEB)

    Buragohain, Buljit [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Chakma, Sankar; Kumar, Peeush [Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Mahanta, Pinakeswar [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Department of Mechanical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Moholkar, Vijayanand S. [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India)

    2013-07-01

    Modeling of biomass gasification has been an active area of research for past two decades. In the published literature, three approaches have been adopted for the modeling of this process, viz. thermodynamic equilibrium, semi-equilibrium and kinetic. In this paper, we have attempted to present a comparative assessment of these three types of models for predicting outcome of the gasification process in a circulating fluidized bed gasifier. Two model biomass, viz. rice husk and wood particles, have been chosen for analysis, with gasification medium being air. Although the trends in molar composition, net yield and LHV of the producer gas predicted by three models are in concurrence, significant quantitative difference is seen in the results. Due to rather slow kinetics of char gasification and tar oxidation, carbon conversion achieved in single pass of biomass through the gasifier, calculated using kinetic model, is quite low, which adversely affects the yield and LHV of the producer gas. Although equilibrium and semi-equilibrium models reveal relative insensitivity of producer gas characteristics towards temperature, the kinetic model shows significant effect of temperature on LHV of the gas at low air ratios. Kinetic models also reveal volume of the gasifier to be an insignificant parameter, as the net yield and LHV of the gas resulting from 6 m and 10 m riser is same. On a whole, the analysis presented in this paper indicates that thermodynamic models are useful tools for quantitative assessment of the gasification process, while kinetic models provide physically more realistic picture.

  3. Kinetic modeling of reactions in Foods

    NARCIS (Netherlands)

    Boekel, van M.A.J.S.

    2008-01-01

    The level of quality that food maintains as it travels down the production-to-consumption path is largely determined by the chemical, biochemical, physical, and microbiological changes that take place during its processing and storage. Kinetic Modeling of Reactions in Foods demonstrates how to

  4. Focuss algorithm application in kinetic compartment modeling for PET tracer

    International Nuclear Information System (INIS)

    Huang Xinrui; Bao Shanglian

    2004-01-01

    Molecular imaging is in the process of becoming. Its application mostly depends on the molecular discovery process of imaging probes and drugs, from the mouse to the patient, from research to clinical practice. Positron emission tomography (PET) can non-invasively monitor . pharmacokinetic and functional processes of drugs in intact organisms at tracer concentrations by kinetic modeling. It has been known that for all biological systems, linear or nonlinear, if the system is injected by a tracer in a steady state, the distribution of the tracer follows the kinetics of a linear compartmental system, which has sums of exponential solutions. Based on the general compartmental description of the tracer's fate in vivo, we presented a novel kinetic modeling approach for the quantification of in vivo tracer studies with dynamic positron emission tomography (PET), which can determine a parsimonious model consisting with the measured data. This kinetic modeling technique allows for estimation of parametric images from a voxel based analysis and requires no a priori decision about the tracer's fate in vivo, instead determining the most appropriate model from the information contained within the kinetic data. Choosing a set of exponential functions, convolved with the plasma input function, as basis functions, the time activity curve of a region or a pixel can be written as a linear combination of the basis functions with corresponding coefficients. The number of non-zero coefficients returned corresponds to the model order which is related to the number of tissue compartments. The system macro parameters are simply determined using the focal underdetermined system solver (FOCUSS) algorithm. The FOCUSS algorithm is a nonparametric algorithm for finding localized energy solutions from limited data and is a recursive linear estimation procedure. FOCUSS algorithm usually converges very fast, so demands a few iterations. The effectiveness is verified by simulation and clinical

  5. A Review of Permanent Magnet Stirring During Metal Solidification

    Science.gov (United States)

    Zeng, Jie; Chen, Weiqing; Yang, Yindong; Mclean, Alexander

    2017-12-01

    Rather than using conventional electromagnetic stirring (EMS) with three-phase alternating current, permanent magnet stirring (PMS), based on the use of sintered NdFeB material which has excellent magnetic characteristics, can be employed to generate a magnetic field for the stirring of liquid metal during solidification. Recent experience with steel casting indicates that PMS requires less than 20 pct of the total energy compared with EMS. Despite the excellent magnetic density properties and low power consumption, this relatively new technology has received comparatively little attention by the metal casting community. This paper reviews simulation modeling, experimental studies, and industrial trials of PMS conducted during recent years. With the development of magnetic simulation software, the magnetic field and associated flow patterns generated by PMS have been evaluated. Based on the results obtained from laboratory experiments, the effects of PMS on metal solidification structures and typical defects such as surface pinholes and center cavities are summarized. The significance of findings obtained from trials of PMS within the metals processing sector, including the continuous casting of steel, are discussed with the aim of providing an overview of the relevant parameters that are of importance for further development and industrial application of this innovative technology.

  6. Large scale structures in the kinetic gravity braiding model that can be unbraided

    International Nuclear Information System (INIS)

    Kimura, Rampei; Yamamoto, Kazuhiro

    2011-01-01

    We study cosmological consequences of a kinetic gravity braiding model, which is proposed as an alternative to the dark energy model. The kinetic braiding model we study is characterized by a parameter n, which corresponds to the original galileon cosmological model for n = 1. We find that the background expansion of the universe of the kinetic braiding model is the same as the Dvali-Turner's model, which reduces to that of the standard cold dark matter model with a cosmological constant (ΛCDM model) for n equal to infinity. We also find that the evolution of the linear cosmological perturbation in the kinetic braiding model reduces to that of the ΛCDM model for n = ∞. Then, we focus our study on the growth history of the linear density perturbation as well as the spherical collapse in the nonlinear regime of the density perturbations, which might be important in order to distinguish between the kinetic braiding model and the ΛCDM model when n is finite. The theoretical prediction for the large scale structure is confronted with the multipole power spectrum of the luminous red galaxy sample of the Sloan Digital Sky survey. We also discuss future prospects of constraining the kinetic braiding model using a future redshift survey like the WFMOS/SuMIRe PFS survey as well as the cluster redshift distribution in the South Pole Telescope survey

  7. Kinetic mechanism for modeling of electrochemical reactions.

    Science.gov (United States)

    Cervenka, Petr; Hrdlička, Jiří; Přibyl, Michal; Snita, Dalimil

    2012-04-01

    We propose a kinetic mechanism of electrochemical interactions. We assume fast formation and recombination of electron donors D- and acceptors A+ on electrode surfaces. These mediators are continuously formed in the electrode matter by thermal fluctuations. The mediators D- and A+, chemically equivalent to the electrode metal, enter electrochemical interactions on the electrode surfaces. Electrochemical dynamics and current-voltage characteristics of a selected electrochemical system are studied. Our results are in good qualitative agreement with those given by the classical Butler-Volmer kinetics. The proposed model can be used to study fast electrochemical processes in microsystems and nanosystems that are often out of the thermal equilibrium. Moreover, the kinetic mechanism operates only with the surface concentrations of chemical reactants and local electric potentials, which facilitates the study of electrochemical systems with indefinable bulk.

  8. Influence of Contact Angle, Growth Angle and Melt Surface Tension on Detached Solidification of InSb

    Science.gov (United States)

    Wang, Yazhen; Regel, Liya L.; Wilcox, William R.

    2000-01-01

    We extended the previous analysis of detached solidification of InSb based on the moving meniscus model. We found that for steady detached solidification to occur in a sealed ampoule in zero gravity, it is necessary for the growth angle to exceed a critical value, the contact angle for the melt on the ampoule wall to exceed a critical value, and the melt-gas surface tension to be below a critical value. These critical values would depend on the material properties and the growth parameters. For the conditions examined here, the sum of the growth angle and the contact angle must exceed approximately 130, which is significantly less than required if both ends of the ampoule are open.

  9. A tool model for predicting atmospheric kinetics with sensitivity analysis

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A package( a tool model) for program of predicting atmospheric chemical kinetics with sensitivity analysis is presented. The new direct method of calculating the first order sensitivity coefficients using sparse matrix technology to chemical kinetics is included in the tool model, it is only necessary to triangularize the matrix related to the Jacobian matrix of the model equation. The Gear type procedure is used to integrate amodel equation and its coupled auxiliary sensitivity coefficient equations. The FORTRAN subroutines of the model equation, the sensitivity coefficient equations, and their Jacobian analytical expressions are generated automatically from a chemical mechanism. The kinetic representation for the model equation and its sensitivity coefficient equations, and their Jacobian matrix is presented. Various FORTRAN subroutines in packages, such as SLODE, modified MA28, Gear package, with which the program runs in conjunction are recommended.The photo-oxidation of dimethyl disulfide is used for illustration.

  10. A detailed chemical kinetic model for pyrolysis of the lignin model compound chroman

    Directory of Open Access Journals (Sweden)

    James Bland

    2013-12-01

    Full Text Available The pyrolysis of woody biomass, including the lignin component, is emerging as a potential technology for the production of renewable fuels and commodity chemicals. Here we describe the construction and implementation of an elementary chemical kinetic model for pyrolysis of the lignin model compound chroman and its reaction intermediate ortho-quinone methide (o-QM. The model is developed using both experimental and theoretical data, and represents a hybrid approach to kinetic modeling that has the potential to provide molecular level insight into reaction pathways and intermediates while accurately describing reaction rates and product formation. The kinetic model developed here can replicate all known aspects of chroman pyrolysis, and provides new information on elementary reaction steps. Chroman pyrolysis is found to proceed via an initial retro-Diels–Alder reaction to form o-QM + ethene (C2H4, followed by dissociation of o-QM to the C6H6 isomers benzene and fulvene (+ CO. At temperatures of around 1000–1200 K and above fulvene rapidly isomerizes to benzene, where an activation energy of around 270 kJ mol-1 is required to reproduce experimental observations. A new G3SX level energy surface for the isomerization of fulvene to benzene supports this result. Our modeling also suggests that thermal decomposition of fulvene may be important at around 950 K and above. This study demonstrates that theoretical protocols can provide a significant contribution to the development of kinetic models for biomass pyrolysis by elucidating reaction mechanisms, intermediates, and products, and also by supplying realistic rate coefficients and thermochemical properties.

  11. Continuum-Kinetic Models and Numerical Methods for Multiphase Applications

    Science.gov (United States)

    Nault, Isaac Michael

    This thesis presents a continuum-kinetic approach for modeling general problems in multiphase solid mechanics. In this context, a continuum model refers to any model, typically on the macro-scale, in which continuous state variables are used to capture the most important physics: conservation of mass, momentum, and energy. A kinetic model refers to any model, typically on the meso-scale, which captures the statistical motion and evolution of microscopic entitites. Multiphase phenomena usually involve non-negligible micro or meso-scopic effects at the interfaces between phases. The approach developed in the thesis attempts to combine the computational performance benefits of a continuum model with the physical accuracy of a kinetic model when applied to a multiphase problem. The approach is applied to modeling a single particle impact in Cold Spray, an engineering process that intimately involves the interaction of crystal grains with high-magnitude elastic waves. Such a situation could be classified a multiphase application due to the discrete nature of grains on the spatial scale of the problem. For this application, a hyper elasto-plastic model is solved by a finite volume method with approximate Riemann solver. The results of this model are compared for two types of plastic closure: a phenomenological macro-scale constitutive law, and a physics-based meso-scale Crystal Plasticity model.

  12. Kinetic modelling of anaerobic hydrolysis of solid wastes, including disintegration processes

    Energy Technology Data Exchange (ETDEWEB)

    García-Gen, Santiago [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Sousbie, Philippe; Rangaraj, Ganesh [INRA, UR50, Laboratoire de Biotechnologie de l’Environnement, Avenue des Etangs, Narbonne F-11100 (France); Lema, Juan M. [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Rodríguez, Jorge, E-mail: jrodriguez@masdar.ac.ae [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Institute Centre for Water and Environment (iWater), Masdar Institute of Science and Technology, PO Box 54224 Abu Dhabi (United Arab Emirates); Steyer, Jean-Philippe; Torrijos, Michel [INRA, UR50, Laboratoire de Biotechnologie de l’Environnement, Avenue des Etangs, Narbonne F-11100 (France)

    2015-01-15

    Highlights: • Fractionation of solid wastes into readily and slowly biodegradable fractions. • Kinetic coefficients estimation from mono-digestion batch assays. • Validation of kinetic coefficients with a co-digestion continuous experiment. • Simulation of batch and continuous experiments with an ADM1-based model. - Abstract: A methodology to estimate disintegration and hydrolysis kinetic parameters of solid wastes and validate an ADM1-based anaerobic co-digestion model is presented. Kinetic parameters of the model were calibrated from batch reactor experiments treating individually fruit and vegetable wastes (among other residues) following a new protocol for batch tests. In addition, decoupled disintegration kinetics for readily and slowly biodegradable fractions of solid wastes was considered. Calibrated parameters from batch assays of individual substrates were used to validate the model for a semi-continuous co-digestion operation treating simultaneously 5 fruit and vegetable wastes. The semi-continuous experiment was carried out in a lab-scale CSTR reactor for 15 weeks at organic loading rate ranging between 2.0 and 4.7 g VS/L d. The model (built in Matlab/Simulink) fit to a large extent the experimental results in both batch and semi-continuous mode and served as a powerful tool to simulate the digestion or co-digestion of solid wastes.

  13. Kinetic modelling of the Maillard reaction between proteins and sugars

    NARCIS (Netherlands)

    Brands, C.M.J.

    2002-01-01

    Keywords: Maillard reaction, sugar isomerisation, kinetics, multiresponse modelling, brown colour formation, lysine damage, mutagenicity, casein, monosaccharides, disaccharides, aldoses, ketoses

    The aim of this thesis was to determine the kinetics of the Maillard reaction between

  14. Physicochemical characterization of solidification agents used and products formed with radioactive wastes at LWR nuclear power plants

    International Nuclear Information System (INIS)

    Kibbey, A.H.; Godbee, H.W.

    1978-01-01

    Solidification of evaporator concentrates, filter sludges, and spent ion exchange resins used in LWR streams is discussed. The introduction of solidification agents to immobilize these sludges and resins can increase the volume of these wastes by a factor of slightly over 1 to greater than 2, depending on the binder chosen. The agents and methods used or proposed for use in solidification of LWR power plant wastes are generally suitable for treating most of the other-than-high-level wastes generated throughout the entire fuel cycle. Among the solidification agents most commonly used or suggested for use are the inorganic cements and organic plastics, which are listed and compared. A summary of considerations important in choosing a solidification agent is presented tabularly

  15. Study and discretization of kinetic models and fluid models at low Mach number

    International Nuclear Information System (INIS)

    Dellacherie, Stephane

    2011-01-01

    This thesis summarizes our work between 1995 and 2010. It concerns the analysis and the discretization of Fokker-Planck or semi-classical Boltzmann kinetic models and of Euler or Navier-Stokes fluid models at low Mach number. The studied Fokker-Planck equation models the collisions between ions and electrons in a hot plasma, and is here applied to the inertial confinement fusion. The studied semi-classical Boltzmann equations are of two types. The first one models the thermonuclear reaction between a deuterium ion and a tritium ion producing an α particle and a neutron particle, and is also in our case used to describe inertial confinement fusion. The second one (known as the Wang-Chang and Uhlenbeck equations) models the transitions between electronic quantified energy levels of uranium and iron atoms in the AVLIS isotopic separation process. The basic properties of these two Boltzmann equations are studied, and, for the Wang-Chang and Uhlenbeck equations, a kinetic-fluid coupling algorithm is proposed. This kinetic-fluid coupling algorithm incited us to study the relaxation concept for gas and immiscible fluids mixtures, and to underline connections with classical kinetic theory. Then, a diphasic low Mach number model without acoustic waves is proposed to model the deformation of the interface between two immiscible fluids induced by high heat transfers at low Mach number. In order to increase the accuracy of the results without increasing computational cost, an AMR algorithm is studied on a simplified interface deformation model. These low Mach number studies also incited us to analyse on cartesian meshes the inaccuracy at low Mach number of Godunov schemes. Finally, the LBM algorithm applied to the heat equation is justified

  16. Chemical Kinetic Models for Advanced Engine Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, William J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mehl, Marco [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Westbrook, Charles K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-10-22

    The objectives for this project are as follows: Develop detailed chemical kinetic models for fuel components used in surrogate fuels for compression ignition (CI), homogeneous charge compression ignition (HCCI) and reactivity-controlled compression-ignition (RCCI) engines; and Combine component models into surrogate fuel models to represent real transportation fuels. Use them to model low-temperature combustion strategies in HCCI, RCCI, and CI engines that lead to low emissions and high efficiency.

  17. Cement solidification of spent ion exchange resins produced by the nuclear industry

    International Nuclear Information System (INIS)

    Jaouen, C.; Vigreux, B.

    1988-01-01

    Cement solidification technology has been applied to spent ion exchange resins for many years in countries throughout the world (at reactors, research centers and spent fuel reprocessing plants). Changing specifications for storage of radioactive waste have, however, confronted the operators of such facilities with a number of problems. Problems related both to the cement solidification process (water/cement/resin interactions and chemical interactions) and to its utilization (mixing, process control, variable feed composition, etc.) have often led waste producers to prefer other, polymer-based processes, which are very expensive and virtually incompatible with water. This paper discusses research on cement solidification of ion exchange resins since 1983 and the development of application technologies adapted to nuclear service conditions and stringent finished product quality requirements

  18. Long-lived magnetism from solidification-driven convection on the pallasite parent body

    DEFF Research Database (Denmark)

    Bryson, James F.J.; Nichols, Claire I. O.; Herrero-Albillos, Julia

    2015-01-01

    of long-lived magnetic activity on the pallasite parent body, capturing the decay and eventual shutdown of the magnetic field as core solidification completed.We demonstrate that magnetic activity driven by progressive solidification of an inner core is consistent with our measuredmagnetic field......Palaeomagnetic measurements of meteorites suggest that, shortly after the birth of the Solar System, themolten metallic cores ofmany small planetary bodies convected vigorously and were capable of generating magnetic fields. Convection on these bodies is currently thought to have been thermally...... characteristics and cooling rates. Solidification-driven convectionwas probably commonamong small body cores, and, in contrast to thermally driven convection, will have led to a relatively late (hundreds of millions of years after accretion), long-lasting, intense and widespread epoch of magnetic activity among...

  19. A resource facility for kinetic analysis: modeling using the SAAM computer programs.

    Science.gov (United States)

    Foster, D M; Boston, R C; Jacquez, J A; Zech, L

    1989-01-01

    Kinetic analysis and integrated system modeling have contributed significantly to understanding the physiology and pathophysiology of metabolic systems in humans and animals. Many experimental biologists are aware of the usefulness of these techniques and recognize that kinetic modeling requires special expertise. The Resource Facility for Kinetic Analysis (RFKA) provides this expertise through: (1) development and application of modeling technology for biomedical problems, and (2) development of computer-based kinetic modeling methodologies concentrating on the computer program Simulation, Analysis, and Modeling (SAAM) and its conversational version, CONversational SAAM (CONSAM). The RFKA offers consultation to the biomedical community in the use of modeling to analyze kinetic data and trains individuals in using this technology for biomedical research. Early versions of SAAM were widely applied in solving dosimetry problems; many users, however, are not familiar with recent improvements to the software. The purpose of this paper is to acquaint biomedical researchers in the dosimetry field with RFKA, which, together with the joint National Cancer Institute-National Heart, Lung and Blood Institute project, is overseeing SAAM development and applications. In addition, RFKA provides many service activities to the SAAM user community that are relevant to solving dosimetry problems.

  20. Numerical modelling of thermal and fluid flow phenomena in the mould channel

    Directory of Open Access Journals (Sweden)

    L. Sowa

    2007-12-01

    Full Text Available In the paper, a mathematical and a numerical model of the solidification of a cylindrical slender shaped casting, which take into account the process of filling the mould cavity with molten metal, has been proposed. Pressure and velocity fields were obtained by solving the momentum equations and the continuity equation, while the thermal fields were obtained by solving the heat conduction equation containing the convection term. Next, the numerical analysis of the solidification process of metals alloy in a cylindrical mould channel has been made. In the model one takes into account interdependence the heat transfer and fluid flow phenomena. Coupling of the thermal and fluid flow phenomena has been taken into consideration by the changes of the fluidity function and thermophysical parameters of alloy with respect to the temperature. The influence of the pressure and the temperature of metal pouring on the solid phase growth kinetics were estimated. The problem has been solved by the finite element method.

  1. Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations.

    Science.gov (United States)

    Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A; Kröger, Leif C; Leonhard, Kai

    2018-06-13

    An automated scheme for obtaining chemical kinetic models from scratch using reactive molecular dynamics and quantum chemistry simulations is presented. This methodology combines the phase space sampling of reactive molecular dynamics with the thermochemistry and kinetics prediction capabilities of quantum mechanics. This scheme provides the NASA polynomial and modified Arrhenius equation parameters for all species and reactions that are observed during the simulation and supplies them in the ChemKin format. The ab initio level of theory for predictions is easily exchangeable and the presently used G3MP2 level of theory is found to reliably reproduce hydrogen and methane oxidation thermochemistry and kinetics data. Chemical kinetic models obtained with this approach are ready-to-use for, e.g., ignition delay time simulations, as shown for hydrogen combustion. The presented extension of the ChemTraYzer approach can be used as a basis for methodologically advancing chemical kinetic modeling schemes and as a black-box approach to generate chemical kinetic models.

  2. Real-time synchrotron x-ray observations of equiaxed solidification of aluminium alloys and implications for modelling

    Science.gov (United States)

    Prasad, A.; Liotti, E.; McDonald, S. D.; Nogita, K.; Yasuda, H.; Grant, P. S.; StJohn, D. H.

    2015-06-01

    Recently, in-situ observations were carried out by synchrotron X-ray radiography to observe the nucleation and growth in Al alloys during solidification. The nucleation and grain formation of a range of Al-Si and Al-Cu binary alloys were studied. When grain refiner was added to the alloys, the location of the nucleation events was readily observed. Once nucleation began it continued to occur in a wave of events with the movement of the temperature gradient across the field of view due to cooling. Other features observed were the settling of the primary phase grains in the Al-Si alloys and floating in the Al-Cu alloys, the effects of convection with marked fluctuation of the growth rate of the solid-liquid interface in the Al-Si alloys, and an absence of fragmentation. The microstructures are typical of those produced in the equiaxed zone of actual castings. These observations are compared with predictions arising from the Interdependence model. The results from this comparison have implications for further refinement of the model and simulation and modelling approaches in general. These implications will be discussed.

  3. Propagative selection of tilted array patterns in directional solidification

    Science.gov (United States)

    Song, Younggil; Akamatsu, Silvère; Bottin-Rousseau, Sabine; Karma, Alain

    2018-05-01

    We investigate the dynamics of tilted cellular/dendritic array patterns that form during directional solidification of a binary alloy when a preferred-growth crystal axis is misoriented with respect to the temperature gradient. In situ experimental observations and phase-field simulations in thin samples reveal the existence of a propagative source-sink mechanism of array spacing selection that operates on larger space and time scales than the competitive growth at play during the initial solidification transient. For tilted arrays, tertiary branching at the diverging edge of the sample acts as a source of new cells with a spacing that can be significantly larger than the initial average spacing. A spatial domain of large spacing then invades the sample propagatively. It thus yields a uniform spacing everywhere, selected independently of the initial conditions, except in a small region near the converging edge of the sample, which acts as a sink of cells. We propose a discrete geometrical model that describes the large-scale evolution of the spatial spacing profile based on the local dependence of the cell drift velocity on the spacing. We also derive a nonlinear advection equation that predicts the invasion velocity of the large-spacing domain, and sheds light on the fundamental nature of this process. The models also account for more complex spacing modulations produced by an irregular dynamics at the source, in good quantitative agreement with both phase-field simulations and experiments. This basic knowledge provides a theoretical basis to improve the processing of single crystals or textured polycrystals for advanced materials.

  4. Solidification of ion exchange resin wastes

    International Nuclear Information System (INIS)

    1982-08-01

    Solidification media investigated included portland type I, portland type III and high alumina cements, a proprietary gypsum-based polymer modified cement, and a vinyl ester-styrene thermosetting plastic. Samples formulated with hydraulic cement were analyzed to investigate the effects of resin type, resin loading, waste-to-cement ratio, and water-to-cement ratio. The solidification of cation resin wastes with portland cement was characterized by excessive swelling and cracking of waste forms, both after curing and during immersion testing. Mixed bed resin waste formulations were limited by their cation component. Additives to improve the mechanical properties of portland cement-ion exchange resin waste forms were evaluated. High alumina cement formulations dislayed a resistance to deterioration of mechanical integrity during immersion testing, thus providing a significant advantage over portland cements for the solidification of resin wastes. Properties of cement-ion exchange resin waste forms were examined. An experiment was conducted to study the leachability of 137 Cs, 85 Sr, and 60 Co from resins modified in portland type III and high alumina cements. The cumulative 137 Cs fraction release was at least an order of magnitude greater than that of either 85 Sr or 60 Co. Release rates of 137 Cs in high alumina cement were greater than those in portland III cement by a factor of two.Compressive strength and leach testing were conducted for resin wastes solidified with polymer-modified gypsum based cement. 137 Cs, 85 Sr, and 60 Co fraction releases were about one, two and three orders of magnitude higher, respectively, than in equivalent portland type III cement formulations. As much as 28.6 wt % dry ion exchange resin was successfully solidified using vinyl ester-styrene compared with a maximum of 25 wt % in both portland and gypsum-based cement

  5. Processing and solidification of Savannah River Plant high-level waste

    International Nuclear Information System (INIS)

    Kelley, J.A.

    1981-01-01

    The entire flowsheet for processing and solidification of Savannah River Plant (SRP) high-level wastes has been demonstrated. A new small-scale integrated pilot plant is operating with actual radioactive wastes, and large-scale equipment is being demonstrated with nonradioactive simulated wastes. Design of a full-scale waste solidification plant is in progress. Plant construction is expected to begin in 1983, and startup is anticipated in 1988. The plant will poduce about 500 cans of glass per year with each can containing about 1.5 tons of glass

  6. Some techniques for the solidification of radioactive wastes in concrete

    International Nuclear Information System (INIS)

    Colombo, P.; Neilson, R. Jr.

    1976-06-01

    Some techniques for the solidification of radioactive wastes in concrete are discussed. The sources, storage, volume reduction, and solidification of liquid wastes at Brookhaven National Laboratory (BNL) using the cement-vermiculite process is described. Solid waste treatment, shipping containers, and off-site shipments of solid wastes at BNL are also considered. The properties of low-heat-generating, high-level wastes, simulating those in storage at the Savannah River Plant (SRP), solidified in concrete were determined. Polymer impregnation was found to further decrease the leachability and improve the durability of these concrete waste forms

  7. Molecular Dynamics Simulations of Kinetic Models for Chiral Dominance in Soft Condensed Matter

    DEFF Research Database (Denmark)

    Toxvaerd, Søren

    2001-01-01

    Molecular dynamics simulation, models for isomerization kinetics, origin of biomolecular chirality......Molecular dynamics simulation, models for isomerization kinetics, origin of biomolecular chirality...

  8. Convection Effects During Bulk Transparent Alloy Solidification in DECLIC-DSI and Phase-Field Simulations in Diffusive Conditions

    Science.gov (United States)

    Mota, F. L.; Song, Y.; Pereda, J.; Billia, B.; Tourret, D.; Debierre, J.-M.; Trivedi, R.; Karma, A.; Bergeon, N.

    2017-08-01

    To study the dynamical formation and evolution of cellular and dendritic arrays under diffusive growth conditions, three-dimensional (3D) directional solidification experiments were conducted in microgravity on a model transparent alloy onboard the International Space Station using the Directional Solidification Insert in the DEvice for the study of Critical LIquids and Crystallization. Selected experiments were repeated on Earth under gravity-driven fluid flow to evidence convection effects. Both radial and axial macrosegregation resulting from convection are observed in ground experiments, and primary spacings measured on Earth and microgravity experiments are noticeably different. The microgravity experiments provide unique benchmark data for numerical simulations of spatially extended pattern formation under diffusive growth conditions. The results of 3D phase-field simulations highlight the importance of accurately modeling thermal conditions that strongly influence the front recoil of the interface and the selection of the primary spacing. The modeling predictions are in good quantitative agreements with the microgravity experiments.

  9. Modelling fungal solid-state fermentation: The role of inactivation kinetics

    NARCIS (Netherlands)

    Smits, J.P.; Sonsbeek, H.M. van; Knol, W.; Tramper, J.; Geelhoed, W.; Peeters, M.; Rinzema, A.

    1999-01-01

    The theoretical mathematical models described in this paper are used to evaluate the effects of fungal biomass inactivation kinetics on a non- isothermal tray solid-state fermentation (SSF). The inactivation kinetics, derived from previously reported experiments done under isothermal conditions and

  10. Modelling opinion formation by means of kinetic equations

    OpenAIRE

    Boudin , Laurent; Salvarani , Francesco

    2010-01-01

    In this chapter, we review some mechanisms of opinion dynamics that can be modelled by kinetic equations. Beside the sociological phenomenon of compromise, naturally linked to collisional operators of Boltzmann kind, many other aspects, already mentioned in the sociophysical literature or no, can enter in this framework. While describing some contributions appeared in the literature, we enlighten some mathematical tools of kinetic theory that can be useful in the context of sociophysics.

  11. A new mathematical model for coal flotation kinetics

    OpenAIRE

    Guerrero-Pérez, Juan Sebastián; Barraza-Burgos, Juan Manuel

    2017-01-01

    Abstract This study describes the development and formulation of a novel mathematical model for coal flotation kinetic. The flotation rate was considered as a function of chemical, operating and petrographic parameters for a global flotation order n. The equation for flotation rate was obtained by dimensional analysis using the Rayleigh method. It shows the dependency of flotation kinetic on operating parameters, such as air velocity and particle size; chemical parameters, such as reagents do...

  12. From Solidification Processing to Microstructure to Mechanical Properties: A Multi-scale X-ray Study of an Al-Cu Alloy Sample

    Science.gov (United States)

    Tourret, D.; Mertens, J. C. E.; Lieberman, E.; Imhoff, S. D.; Gibbs, J. W.; Henderson, K.; Fezzaa, K.; Deriy, A. L.; Sun, T.; Lebensohn, R. A.; Patterson, B. M.; Clarke, A. J.

    2017-11-01

    We follow an Al-12 at. pct Cu alloy sample from the liquid state to mechanical failure, using in situ X-ray radiography during directional solidification and tensile testing, as well as three-dimensional computed tomography of the microstructure before and after mechanical testing. The solidification processing stage is simulated with a multi-scale dendritic needle network model, and the micromechanical behavior of the solidified microstructure is simulated using voxelized tomography data and an elasto-viscoplastic fast Fourier transform model. This study demonstrates the feasibility of direct in situ monitoring of a metal alloy microstructure from the liquid processing stage up to its mechanical failure, supported by quantitative simulations of microstructure formation and its mechanical behavior.

  13. A stochastic model of enzyme kinetics

    Science.gov (United States)

    Stefanini, Marianne; Newman, Timothy; McKane, Alan

    2003-10-01

    Enzyme kinetics is generally modeled by deterministic rate equations, and in the simplest case leads to the well-known Michaelis-Menten equation. It is plausible that stochastic effects will play an important role at low enzyme concentrations. We have addressed this by constructing a simple stochastic model which can be exactly solved in the steady-state. Throughout a wide range of parameter values Michaelis-Menten dynamics is replaced by a new and simple theoretical result.

  14. Closed solutions to a differential-difference equation and an associated plate solidification problem.

    Science.gov (United States)

    Layeni, Olawanle P; Akinola, Adegbola P; Johnson, Jesse V

    2016-01-01

    Two distinct and novel formalisms for deriving exact closed solutions of a class of variable-coefficient differential-difference equations arising from a plate solidification problem are introduced. Thereupon, exact closed traveling wave and similarity solutions to the plate solidification problem are obtained for some special cases of time-varying plate surface temperature.

  15. Kinetic models of gene expression including non-coding RNAs

    Energy Technology Data Exchange (ETDEWEB)

    Zhdanov, Vladimir P., E-mail: zhdanov@catalysis.r

    2011-03-15

    In cells, genes are transcribed into mRNAs, and the latter are translated into proteins. Due to the feedbacks between these processes, the kinetics of gene expression may be complex even in the simplest genetic networks. The corresponding models have already been reviewed in the literature. A new avenue in this field is related to the recognition that the conventional scenario of gene expression is fully applicable only to prokaryotes whose genomes consist of tightly packed protein-coding sequences. In eukaryotic cells, in contrast, such sequences are relatively rare, and the rest of the genome includes numerous transcript units representing non-coding RNAs (ncRNAs). During the past decade, it has become clear that such RNAs play a crucial role in gene expression and accordingly influence a multitude of cellular processes both in the normal state and during diseases. The numerous biological functions of ncRNAs are based primarily on their abilities to silence genes via pairing with a target mRNA and subsequently preventing its translation or facilitating degradation of the mRNA-ncRNA complex. Many other abilities of ncRNAs have been discovered as well. Our review is focused on the available kinetic models describing the mRNA, ncRNA and protein interplay. In particular, we systematically present the simplest models without kinetic feedbacks, models containing feedbacks and predicting bistability and oscillations in simple genetic networks, and models describing the effect of ncRNAs on complex genetic networks. Mathematically, the presentation is based primarily on temporal mean-field kinetic equations. The stochastic and spatio-temporal effects are also briefly discussed.

  16. Simplified kinetic models of methanol oxidation on silver

    DEFF Research Database (Denmark)

    Andreasen, A.; Lynggaard, H.; Stegelmann, C.

    2005-01-01

    Recently the authors developed a microkinetic model of methanol oxidation on silver [A. Andreasen, H. Lynggaard, C. Stegelmann, P. Stoltze, Surf. Sci. 544 (2003) 5-23]. The model successfully explains both surface science experiments and kinetic experiments at industrial conditions applying...

  17. NPP radioactive waste processing and solidification

    International Nuclear Information System (INIS)

    Nikiforov, A.S.; Polyakov, A.S.; Zakharova, K.P.

    1983-01-01

    The problems of proce-sing NPP intermediate level- and low-level liquid radioactive wastes (LRW) are considered. Various methods are compared of LWR solidification on the base of bituminization, cement grouting and inclusion into synthetic resins. It is concluded that the considered methods ensure radioactive radionuclides effluents into open hydronetwork at the level below the sanitary, standards

  18. Reproducing Phenomenology of Peroxidation Kinetics via Model Optimization

    Science.gov (United States)

    Ruslanov, Anatole D.; Bashylau, Anton V.

    2010-06-01

    We studied mathematical modeling of lipid peroxidation using a biochemical model system of iron (II)-ascorbate-dependent lipid peroxidation of rat hepatocyte mitochondrial fractions. We found that antioxidants extracted from plants demonstrate a high intensity of peroxidation inhibition. We simplified the system of differential equations that describes the kinetics of the mathematical model to a first order equation, which can be solved analytically. Moreover, we endeavor to algorithmically and heuristically recreate the processes and construct an environment that closely resembles the corresponding natural system. Our results demonstrate that it is possible to theoretically predict both the kinetics of oxidation and the intensity of inhibition without resorting to analytical and biochemical research, which is important for cost-effective discovery and development of medical agents with antioxidant action from the medicinal plants.

  19. ENGINEERING BULLETIN: SOLIDIFICATION/STABILIZATION OF ORGANICS AND INORGANICS

    Science.gov (United States)

    Solidification refers to techniques that encapsulate hazardous waste into a solid material of high structural integrity. Encapsulation involves either fine waste particles (microencapsulation) or a large block or container of wastes (macroencapsulation). Stabilization refe...

  20. Holographic kinetic k-essence model

    Energy Technology Data Exchange (ETDEWEB)

    Cruz, Norman [Departamento de Fisica, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: ncruz@lauca.usach.cl; Gonzalez-Diaz, Pedro F.; Rozas-Fernandez, Alberto [Colina de los Chopos, Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)], E-mail: a.rozas@cfmac.csic.es; Sanchez, Guillermo [Departamento de Matematica y Ciencia de la Computacion, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: gsanchez@usach.cl

    2009-08-31

    We consider a connection between the holographic dark energy density and the kinetic k-essence energy density in a flat FRW universe. With the choice c{>=}1, the holographic dark energy can be described by a kinetic k-essence scalar field in a certain way. In this Letter we show this kinetic k-essential description of the holographic dark energy with c{>=}1 and reconstruct the kinetic k-essence function F(X)

  1. Continuous Solidification of Immiscible Alloys and Microstructure Control

    Science.gov (United States)

    Jiang, Hongxiang; Zhao, Jiuzhou

    2018-05-01

    Immiscible alloys have aroused considerable interest in last few decades due to their excellent physical and mechanical characteristics as well as potential industrial applications. Up to date, plenty of researches have been carried out to investigate the solidification of immiscible alloys on the ground or in space and great progress has been made. It is demonstrated that the continuous solidification technique have great future in the manufacturing of immiscible alloys, it also indicates that the addition of surface active micro-alloying or inoculants for the nucleation of the minority phase droplets and proper application of external fields, e.g., static magnetic field, electric current, microgravity field, etc. may promote the formation of immiscible alloys with an expected microstructure. The objective of this article is to review the research work in this field.

  2. Kinetics of steel heavy ingot formation in dies of semicontinuous-casting machines

    International Nuclear Information System (INIS)

    Tsukerman, V.Ya.; Marchenko, I.K.

    1986-01-01

    Formation kinetics of round section ingot of up to 0.67 m in diameter was analyzed in dies of semicontinuous-casting machines on casting of the most usable assortment steels: medium-carbon low-alloyed and chromium-nickel stainless steels. It is established that solidification coefficient decreases in direct proportion to ingot diameter. Value of different-thickness ingot skin at die outlet is in direct proportion to a casted steel overheating temperature, ingot diameter and inversely proportional to the number and diameter of holes in a ladder nozzle and square root of ingot drawing rate

  3. Optimization of Magnetically Driven Directional Solidification of Silicon Using Artificial Neural Networks and Gaussian Process Models

    Czech Academy of Sciences Publication Activity Database

    Dropka, N.; Holeňa, Martin

    2017-01-01

    Roč. 471, 1 August (2017), s. 53-61 ISSN 0022-0248 R&D Projects: GA ČR GA17-01251S Institutional support: RVO:67985807 Keywords : computer simulation * fluid flows * magnetic fields * directional solidification * semiconducting silicon Subject RIV: IN - Informatics, Computer Science OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.751, year: 2016

  4. Modelling of melting and solidification transport phenomena during hypothetical NPP severe accidents

    International Nuclear Information System (INIS)

    Sarler, B.

    1992-01-01

    A physical and mathematical framework to deal with the transport phenomena occuring during melting and solidification of the hypothetical NPP severe accidents is presented. It concentrates on the transient temperature, velocity, and species concentration distributions during such events. The framework is based on the Mixture Continuum Formulation of the components and phases, cast in the boundary-domain integral shape structured by the fundamental solution of the Laplace equation. The formulation could cope with various solid-liquid sub-systems through the inclusion of the specific closure relations. The deduced system of boundary-domain integral equations for conservation of mass, energy, momentum, and species could be solved by the boundary element discrete approximative method. (author) [sl

  5. Evaluation of thermophysical properties of Al–Sn–Si alloys based on computational thermodynamics and validation by numerical and experimental simulation of solidification

    International Nuclear Information System (INIS)

    Bertelli, Felipe; Cheung, Noé; Ferreira, Ivaldo L.; Garcia, Amauri

    2016-01-01

    Highlights: • A numerical routine coupled to a computational thermodynamics software is proposed to calculate thermophysical properties. • The approach encompasses numerical and experimental simulation of solidification. • Al–Sn–Si alloys thermophysical properties are validated by experimental/numerical cooling rate results. - Abstract: Modelling of manufacturing processes of multicomponent Al-based alloys products, such as casting, requires thermophysical properties that are rarely found in the literature. It is extremely important to use reliable values of such properties, as they can influence critically on simulated output results. In the present study, a numerical routine is developed and connected in real runtime execution to a computational thermodynamic software with a view to permitting thermophysical properties such as: latent heats; specific heats; temperatures and heats of transformation; phase fractions and composition and density of Al–Sn–Si alloys as a function of temperature, to be determined. A numerical solidification model is used to run solidification simulations of ternary Al-based alloys using the appropriate calculated thermophysical properties. Directional solidification experiments are carried out with two Al–Sn–Si alloys compositions to provide experimental cooling rates profiles along the length of the castings, which are compared with numerical simulations in order to validate the calculated thermophysical data. For both cases a good agreement can be observed, indicating the relevance of applicability of the proposed approach.

  6. Immobilisation/solidification of hazardous toxic waste in cement matrices

    Directory of Open Access Journals (Sweden)

    Macías, A.

    1999-06-01

    Full Text Available Immobilization and solidification of polluting waste, introduced into the industrial sector more than 20 years ago, and throughout last 10 years is being the object of a growing interest for engineers and environment scientists, has become a remarkable standardized process for treatment and management of toxic and hazardous liquid wastes, with special to those containing toxic metals. Experimental monitorization of the behaviour of immobilized waste by solidification and stabilisation in life time safe deposits is not possible, reason why it is essential to develop models predicting adequately the behaviour of structures that have to undergo a range of conditions simulating the environment where they are to be exposed. Such models can be developed only if the basic physical and chemical properties of the system matrix/solidifying-waste are known. In this work immobilization/solidification systems are analyzed stressing out the formulation systems based on Portland cement. Finally, some examples of the results obtained from the study of interaction of specific species of wastes and fixation systems are presented.

    La inmovilización y solidificación de residuos contaminantes, implantada en el sector comercial desde hace más de 20 años y que desde hace diez es objeto de creciente interés por parte de ingenieros y científicos medioambientales, se ha convertido en un proceso estandarizado único para el tratamiento y gestión de residuos tóxicos y peligrosos líquidos y, en especial, de los que contienen metales pesados. La monitorización experimental del comportamiento de un residuo inmovilizado por solidificación y estabilización en el tiempo de vida de un depósito de seguridad no es posible, por lo que es imprescindible desarrollar modelos que predigan satisfactoriamente el comportamiento del sistema bajo un rango representativo de condiciones del entorno de exposición. Tales modelos sólo pueden ser desarrollados si se

  7. Formation of Nitrogen Bubbles During Solidification of Duplex Stainless Steels

    Science.gov (United States)

    Dai, Kaiju; Wang, Bo; Xue, Fei; Liu, Shanshan; Huang, Junkai; Zhang, Jieyu

    2018-04-01

    The nucleation and growth of nitrogen bubbles for duplex stainless steels are of great significance for the formation mechanism of bubbles during solidification. In the current study, numerical method and theoretical analysis of formula derivation were used to study the formation of nitrogen bubbles during solidification. The critical sizes of the bubble for homogeneous nucleation and heterogeneous nucleation at the solid-liquid interface during solidification were derived theoretically by the classical nucleation theory. The results show that the calculated values for the solubility of nitrogen in duplex stainless steel are in good agreement with the experimental values which are quoted by references: for example, when the temperature T = 1823 K and the nitrogen partial pressure P_{{N2 }} = 40P^{Θ} , the calculated value (0.8042 wt pct) for the solubility of Fe-12Cr alloy nitrogen in molten steel is close to the experimental value (0.780 wt pct). Moreover, the critical radii for homogeneous nucleation and heterogeneous nucleation are identical during solidification. On the one hand, with the increasing temperature or the melt depth, the critical nucleation radius of bubbles at the solid-liquid interface increases, but the bubble growth rate decreases. On the other hand, with the decreasing initial content of nitrogen or the cooling rate, the critical nucleation radius of bubbles at the solid-liquid interface increases, but the bubble growth rate decreases. Furthermore, when the melt depth is greater than the critical depth, which is determined by the technological conditions, the change in the Gibbs free energy for the nucleation is not conducive enough to form new bubbles.

  8. Numerical study of impact and solidification of a droplet over a deposited frozen splat

    International Nuclear Information System (INIS)

    Ghafouri-Azar, R.; Mostaghimi, J.; Chandra, S.

    2002-01-01

    The impact and solidification of a molten tin droplet on another solidified splat was studied for varying offset spacing using a three-dimensional model of droplet impact. It was found the final shapes of impinging droplets were sensitive to the offset distance. The model applies a fixed-grid Eulerian control volume method to solve the fluid dynamics and heat transfer in the droplet. The model employs a Volume of Fluid (VOF) algorithm to track free surface deformation. Predictions of droplet shapes during impact from the model agreed well with experimental photographs. (author)

  9. Solidification of liquid concentrate and solid waste generated as by-products of the liquid radwaste treatment systems in light-water reactors

    International Nuclear Information System (INIS)

    Neilson, R.M. Jr.; Colombo, P.

    1977-01-01

    The treatment of liquid concentrate and solid waste produced in light-water reactors as by-products of liquid radwaste treatment systems consists of five basic operations: waste collection, waste pretreatment, solidification agent handling, mixing/packaging (solidification) and waste package handling. This paper will concern itself primarily with the solidification operation, however, the other operations enumerated as well as the types of wastes treated and their origins will be briefly described, especially with regards to their effects on solidification. During solidification, liquid concentrate and solid wastes are incorporated with a solidification agent to form a monolithic, free-standing solid. The basic solidification agent types either currently used in the United States or proposed for use include absorbants, hydraulic cement, urea-formaldehyde, other polymer systems, and bitumen. The operation, formulations and limitations of these agents as used for radwaste solidification will be discussed. Properties relevant to the evaluation of solidified waste forms will be identified and relative comparisons made for wastes solidified by various processes

  10. Kinetic models in spin chemistry. 1. The hyperfine interaction

    DEFF Research Database (Denmark)

    Mojaza, M.; Pedersen, J. B.

    2012-01-01

    Kinetic models for quantum systems are quite popular due to their simplicity, although they are difficult to justify. We show that the transformation from quantum to kinetic description can be done exactly for the hyperfine interaction of one nuclei with arbitrary spin; more spins are described w...... induced enhancement of the reaction yield. (C) 2012 Elsevier B.V. All rights reserved....

  11. Topological and kinetic determinants of the modal matrices of dynamic models of metabolism.

    Directory of Open Access Journals (Sweden)

    Bin Du

    Full Text Available Large-scale kinetic models of metabolism are becoming increasingly comprehensive and accurate. A key challenge is to understand the biochemical basis of the dynamic properties of these models. Linear analysis methods are well-established as useful tools for characterizing the dynamic response of metabolic networks. Central to linear analysis methods are two key matrices: the Jacobian matrix (J and the modal matrix (M-1 arising from its eigendecomposition. The modal matrix M-1 contains dynamically independent motions of the kinetic model near a reference state, and it is sparse in practice for metabolic networks. However, connecting the structure of M-1 to the kinetic properties of the underlying reactions is non-trivial. In this study, we analyze the relationship between J, M-1, and the kinetic properties of the underlying network for kinetic models of metabolism. Specifically, we describe the origin of mode sparsity structure based on features of the network stoichiometric matrix S and the reaction kinetic gradient matrix G. First, we show that due to the scaling of kinetic parameters in real networks, diagonal dominance occurs in a substantial fraction of the rows of J, resulting in simple modal structures with clear biological interpretations. Then, we show that more complicated modes originate from topologically-connected reactions that have similar reaction elasticities in G. These elasticities represent dynamic equilibrium balances within reactions and are key determinants of modal structure. The work presented should prove useful towards obtaining an understanding of the dynamics of kinetic models of metabolism, which are rooted in the network structure and the kinetic properties of reactions.

  12. Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study

    KAUST Repository

    Wang, Zhandong; Zhao, Long; Wang, Yu; Bian, Huiting; Zhang, Lidong; Zhang, Feng; Li, Yuyang; Sarathy, Mani; Qi, Fei

    2015-01-01

    species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high

  13. Acceleration transforms and statistical kinetic models

    International Nuclear Information System (INIS)

    LuValle, M.J.; Welsher, T.L.; Svoboda, K.

    1988-01-01

    For a restricted class of problems a mathematical model of microscopic degradation processes, statistical kinetics, is developed and linked through acceleration transforms to the information which can be obtained from a system in which the only observable sign of degradation is sudden and catastrophic failure. The acceleration transforms were developed in accelerated life testing applications as a tool for extrapolating from the observable results of an accelerated life test to the dynamics of the underlying degradation processes. A particular concern of a physicist attempting to interpreted the results of an analysis based on acceleration transforms is determining the physical species involved in the degradation process. These species may be (a) relatively abundant or (b) relatively rare. The main results of this paper are a theorem showing that for an important subclass of statistical kinetic models, acceleration transforms cannot be used to distinguish between cases a and b, and an example showing that in some cases falling outside the restrictions of the theorem, cases a and b can be distinguished by their acceleration transforms

  14. Kinetic and allometric models for dosimetry using radiopharmaceuticals labeled with lanthanides

    International Nuclear Information System (INIS)

    Lima, Marina Ferreira

    2012-01-01

    This work proposes two models based in compartmental analyses: Animal model and Human model, using images from gamma camera measurements to determinate the kinetic constants of the 177 Lu-DOTATATE to three animal species (rat Wistar, Armenian hamster and Syrian hamster) and to the human in biodistribution studies split in two phases: Phase 1 governed by uptake from the blood and Phase 2 governed by the real excretion. The kinetic constants obtained from the animals' data ere used to build allometric scaling to predict radiopharmaceutical biodistribution in the human employing relations by mass, metabolism, by life span and by physiological parameters. These extrapolation results were compared with the PRRT (Peptide receptor radiotherapy) patients kinetic data calculated using the Human model. The kinetic constants obtained from humans were used in dose assessment to PRRT patients considering MIRD 26 organs and tissues. Dosimetry results were in agreement with available results from literature. For the Phase 1 allometric scaling from kinetic data from the blood to the organs straight responsible for the 177 Lu-DOTATATE metabolism and excretion - liver, kidneys and urinary bladder -show good correlation in the scaling by mass, metabolism and physiological and parameters. For the Phase 2, only the kinetic data from blood to the liver and to the kidneys show good correlation. Based in the anaesthetics inhibitory action over the renal excretion, there is not empirical basis to allow measurement times over 40 minutes in in vivo studies with small animals. Consequently, the Phase 1 results seem enough to make allometric scaling to assessment dose in PRRT. (author)

  15. Current high-level waste solidification technology

    International Nuclear Information System (INIS)

    Bonner, W.F.; Ross, W.A.

    1976-01-01

    Technology has been developed in the U.S. and abroad for solidification of high-level waste from nuclear power production. Several processes have been demonstrated with actual radioactive waste and are now being prepared for use in the commercial nuclear industry. Conversion of the waste to a glass form is favored because of its high degree of nondispersibility and safety

  16. Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System: Modeling Ion Outflow

    Science.gov (United States)

    Schunk, R. W.; Barakat, A. R.; Eccles, V.; Karimabadi, H.; Omelchenko, Y.; Khazanov, G. V.; Glocer, A.; Kistler, L. M.

    2014-12-01

    A Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System is being developed in order to provide a rigorous approach to modeling the interaction of hot and cold particle interactions. The framework will include ion and electron kinetic species in the ionosphere, plasmasphere and polar wind, and kinetic ion, super-thermal electron and fluid electron species in the magnetosphere. The framework is ideally suited to modeling ion outflow from the ionosphere and plasmasphere, where a wide range for fluid and kinetic processes are important. These include escaping ion interactions with (1) photoelectrons, (2) cusp/auroral waves, double layers, and field-aligned currents, (3) double layers in the polar cap due to the interaction of cold ionospheric and hot magnetospheric electrons, (4) counter-streaming ions, and (5) electromagnetic wave turbulence. The kinetic ion interactions are particularly strong during geomagnetic storms and substorms. The presentation will provide a brief description of the models involved and discuss the effect that kinetic processes have on the ion outflow.

  17. Toward Understanding Pore Formation and Mobility during Controlled Directional Solidification in a Microgravity Environment Investigation (PFMI)

    Science.gov (United States)

    Grugel, Richard N.; Anilkumar, A. V.; Luz, Paul; Jeter, Linda; Volz, Martin P.; Spivey, Reggie; Smith, G.

    2003-01-01

    The generation and inclusion of detrimental porosity, e.g., pipes and rattails can occur during controlled directional solidification processing. The origin of these defects is generally attributed to gas evolution and entrapment during solidification of the melt. On Earth, owing to buoyancy, an initiated bubble can rapidly rise through the liquid melt and pop at the surface; this is obviously not ensured in a low gravity or microgravity environment. Clearly, porosity generation and inclusion is detrimental to conducting any meaningful solidification-science studies in microgravity. Thus it is essential that model experiments be conducted in microgravity, to understand the details of the generation and mobility of porosity, so that methods can be found to eliminate it. In hindsight, this is particularly relevant given the results of the previous directional solidification experiments conducted in Space. The current International Space Station (ISS) Microgravity Science Glovebox (MSG) investigation addresses the central issue of porosity formation and mobility during controlled directional solidification processing in microgravity. The study will be done using a transparent metal-analogue material, succinonitrile (SCN) and succinonitrile-water 'alloys', so that direct observation and recording of pore generation and mobility can be made during the experiments. Succinonitrile is particularly well suited for the proposed investigation because it is transparent, it solidifies in a manner analogous to most metals, it has a convenient melting point, its material properties are well characterized and, it has been successfully used in previous microgravity experiments. The PFMI experiment will be launched on the UF-2, STS-111 flight. Highlighting the porosity development problem in metal alloys during microgravity processing, the poster will describe: (i) the intent of the proposed experiments, (ii) the theoretical rationale behind using SCN as the study material for

  18. XRMON-GF: A novel facility for solidification of metallic alloys with in situ and time-resolved X-ray radiographic characterization in microgravity conditions

    Science.gov (United States)

    Nguyen-Thi, H.; Reinhart, G.; Salloum Abou Jaoude, G.; Mathiesen, R. H.; Zimmermann, G.; Houltz, Y.; Voss, D.; Verga, A.; Browne, D. J.; Murphy, A. G.

    2013-07-01

    As most of the phenomena involved during the growth of metallic alloys from the melt are dynamic, in situ and time-resolved X-ray imaging should be retained as the method of choice for investigating the solidification front evolution. On Earth, the gravity force is the major source of various disturbing effects (natural convection, buoyancy/sedimentation, and hydrostatic pressure) which can significantly modify or mask certain physical mechanisms. Therefore solidification under microgravity is an efficient way to eliminate such perturbations to provide unique benchmark data for the validation of models and numerical simulations. Up to now, in situ observation during microgravity solidification experiments were limited to the investigations on transparent organic alloys, using optical methods. On the other hand, in situ observation on metallic alloys generally required synchrotron facilities. This paper reports on a novel facility we have designed and developed to investigate directional solidification on metallic alloys in microgravity conditions with in situ X-ray radiography observation. The facility consists of a Bridgman furnace and an X-ray radiography device specifically devoted to the study of Al-based alloys. An unprecedented experiment was recently performed on board a sounding rocket, with a 6 min period of microgravity. Radiographs were successfully recorded during the entire experiment including the melting and solidification phases of the sample, with a Field-of-View of about 5 mm×5 mm, a spatial resolution of about 4 µm and a frequency of 2 frames per second. Some preliminary results are presented on the solidification of the Al-20 wt% Cu sample, which validate the apparatus and confirm the potential of in situ X-ray characterization for the investigation of dynamical phenomena in materials processing, and particularly for the studying of metallic alloys solidification.

  19. Effect of Manganese on Microstructures and Solidification Modes of Cast Fe-Mn-Si-Cr-Ni Shape Memory Alloys

    Science.gov (United States)

    Peng, Huabei; Wen, Yuhua; Du, Yangyang; Yu, Qinxu; Yang, Qin

    2013-10-01

    We investigated microstructures and solidification modes of cast Fe-(13-27)Mn-5.5Si-8.5Cr-5Ni shape memory alloys to clarify whether Mn was an austenite former during solidification. Furthermore, we examined whether the Creq/Nieq equations (Delong, Hull, Hammer and WRC-1992 equations) and Thermo-Calc software® together with database TCFE6 were valid to predict the solidification modes of cast Fe-(13-27)Mn-5.5Si-8.5Cr-5Ni shape memory alloys. The results have shown that the solidification modes of Fe-(13-27)Mn-5.5Si-8.5Cr-5Ni alloys changed from the F mode to the FA mode with increasing the Mn concentration. Mn is an austenite former during the solidification for the cast Fe-Mn-Si-Cr-Ni shape memory alloys. The Delong, Hull, Hammer, and WRC-1992 equations as well as Thermo-Calc software® together with database TCFE6 are invalid to predict the solidification modes of cast Fe-(13-27)Mn-5.5Si-8.5Cr-5Ni SMAs. To predict the solidification modes of cast Fe-Mn-Si-Cr-Ni alloys, a new Creq/Nieq equation should be developed or the thermodynamic database of Thermo-Calc software® should be corrected.

  20. Modeling the kinetics of volatilization from glass melts

    NARCIS (Netherlands)

    Beerkens, R.G.C.

    2001-01-01

    A model description for the evaporation kinetics from glass melts in direct contact with static atmospheres or flowing gas phases is presented. The derived models and equations are based on the solution of the second Ficks' diffusion law and quasi-steady-state mass transfer relations, taking into

  1. Mathematical modeling of CA125 kinetics in recurrent ovarian cancer (ROC) patients treated with chemotherapy and predictive value of early modeled kinetic parameters in CALYPSO trial: A GCIG study

    DEFF Research Database (Denmark)

    You, Benoit; Colomban, Olivier; Heywood, Mark

    2011-01-01

    Background: Although CA125 kinetic profiles may be related with relapse risk in ovarian cancer patients treated with chemotherapy, no reliable kinetic parameters have been reported. Mathematical modeling may help describe CA125 decline dynamically and determine parameters predictive of relapse....... Methods: Data from CALYPSO phase III trial data comparing 2 carboplatin-based regimens in ROC patients were analyzed. Based on population kinetic approach (Monolix software), a semi-mechanistic model was used to fit serum log (CA125) concentration-time profiles with following parameters: tumor growth rate...... the first 50 treatment days were tested regarding progression free survival (PFS) against other reported prognostic factors using Cox-models: treatment arm; platinum-free interval (PFI), metastatic site number, largest tumor size, elevated WBC and measurable disease. Results: The CA125 kinetics from 898...

  2. Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

    International Nuclear Information System (INIS)

    Oboh, I.; Aluyor, E.; Audu, T.

    2015-01-01

    The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R 2 ), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem

  3. A study of aluminum-lithium alloy solidification using acoustic emission techniques. Ph.D. Thesis, 1991

    Science.gov (United States)

    Henkel, Daniel P.

    1992-01-01

    Physical phenomena associated with the solidification of an aluminum lithium alloy was characterized using acoustic emission (AE) techniques. It is shown that repeatable patterns of AE activity may be correlated to microstructural changes that occur during solidification. The influence of the experimental system on generated signals was examined in the time and frequency domains. The analysis was used to show how an AE signal from solidifying aluminum is changed by each component in the detection system to produce a complex waveform. Conventional AE analysis has shown that a period of high AE activity occurs in pure aluminum, an Al-Cu alloy, and the Al-Li alloy, as the last fraction of solid forms. A model attributes this to the internal stresses of grain boundary formation. An additional period of activity occurs as the last fraction of solid forms, but only in the two alloys. A model attributes this to the formation of interdendritic porosity which was not present in the pure aluminum. The AE waveforms were dominated by resonant effects of the waveguide and the transducer.

  4. Mobile concrete solidification systems for power reactor waste

    International Nuclear Information System (INIS)

    Tchemitcheff, E.; Bordas, Y.

    1990-01-01

    In late 1988 SGN received an order from Electricite de France (EDF) for the construction of a mobile concrete solidification system to process secondary system resins generated by the P'4 and N4 series PWR power plants in France. This order was placed in view of SGN's experience with low- and medium-level radioactive waste treatment and conditioning over a period of almost 20 years. In addition to the construction of fixed waste processing facilities using more conventional technologies, SGN has been involved in application of the mobile system concept to the bituminization process in the United States, which led to the construction and commissioning of two transportable systems in collaboration with its American licensee US Ecology. It has also conducted large-scale R ampersand D on LLW/MLW concrete solidification, particularly for ion exchange resins. 5 figs

  5. The instability in the long-time regime of a kinetic model: II

    International Nuclear Information System (INIS)

    Sanda, F

    2003-01-01

    The kinetic model of an open system, which embodies an instability in long time regime behaviour, is referred. This result questions some approximations which are standardly used in open system treatments. The deficiency in kinetic treatments was recently referred to as mainly a mathematical curiosity; however, in the present work the application for a physically comprehensive situation is shown. We simplified the previously treated model, which enables us to proceed easily with just pen and paper and to omit numerical modelling whose justification causes difficulties to the reader. We draw some consequences on the found instability, both with respect to the perturbative origin of kinetic equations and also concerning the very philosophy of physical modelling

  6. Separation-induced boundary layer transition: Modeling with a non-linear eddy-viscosity model coupled with the laminar kinetic energy equation

    International Nuclear Information System (INIS)

    Vlahostergios, Z.; Yakinthos, K.; Goulas, A.

    2009-01-01

    We present an effort to model the separation-induced transition on a flat plate with a semi-circular leading edge, using a cubic non-linear eddy-viscosity model combined with the laminar kinetic energy. A non-linear model, compared to a linear one, has the advantage to resolve the anisotropic behavior of the Reynolds-stresses in the near-wall region and it provides a more accurate expression for the generation of turbulence in the transport equation of the turbulence kinetic energy. Although in its original formulation the model is not able to accurately predict the separation-induced transition, the inclusion of the laminar kinetic energy increases its accuracy. The adoption of the laminar kinetic energy by the non-linear model is presented in detail, together with some additional modifications required for the adaption of the laminar kinetic energy into the basic concepts of the non-linear eddy-viscosity model. The computational results using the proposed combined model are shown together with the ones obtained using an isotropic linear eddy-viscosity model, which adopts also the laminar kinetic energy concept and in comparison with the existing experimental data.

  7. Evaluation of process alternatives for solidification of the West Valley high-level liquid wastes

    International Nuclear Information System (INIS)

    Holton, L.K.; Larson, D.E.

    1982-01-01

    The Department of Energy (DOE) established the West Valley Solidification Project (WVSP) in 1980. The project purpose is to demonstrate removal and solidification of the high-level liquid wastes (HLLW) presently stored in tanks at the Western New York Nuclear Service Center (WNYNSC), West Valley, New York. As part of this effort, the Pacific Northwest Laboratory (PNL) conducted a study to evaluate process alternatives for solidifcation of the WNYNSC wastes. Two process approaches for waste handling before solidification, together with solidification processes for four terminal and four interim waste forms, were considered. The first waste-handling approach, designated the salt/sludge separation process, involves separating the bulk of the nonradioactive nuclear waste constituents from the radioactive waste constituents, and the second waste-handling approach, designated the combined-waste process, involves no waste segregation prior to solidification. The processes were evaluated on the bases of their (1) readiness for plant startup by 1987, (2) relative technical merits, and (3) process cost. The study has shown that, based on these criteria, the salt/sludge separation process with a borosilicate glass waste form is preferred when producing a terminal waste form. It was also concluded that if an interim waste form is to be used, the preferred approach would be the combined waste process with a fused-salt waste form

  8. A Kinetic Model Describing Injury-Burden in Team Sports.

    Science.gov (United States)

    Fuller, Colin W

    2017-12-01

    Injuries in team sports are normally characterised by the incidence, severity, and location and type of injuries sustained: these measures, however, do not provide an insight into the variable injury-burden experienced during a season. Injury burden varies according to the team's match and training loads, the rate at which injuries are sustained and the time taken for these injuries to resolve. At the present time, this time-based variation of injury burden has not been modelled. To develop a kinetic model describing the time-based injury burden experienced by teams in elite team sports and to demonstrate the model's utility. Rates of injury were quantified using a large eight-season database of rugby injuries (5253) and exposure (60,085 player-match-hours) in English professional rugby. Rates of recovery from injury were quantified using time-to-recovery analysis of the injuries. The kinetic model proposed for predicting a team's time-based injury burden is based on a composite rate equation developed from the incidence of injury, a first-order rate of recovery from injury and the team's playing load. The utility of the model was demonstrated by examining common scenarios encountered in elite rugby. The kinetic model developed describes and predicts the variable injury-burden arising from match play during a season of rugby union based on the incidence of match injuries, the rate of recovery from injury and the playing load. The model is equally applicable to other team sports and other scenarios.

  9. Solidification method for organic solution and processing method of aqueous solution

    International Nuclear Information System (INIS)

    Kamoshida, Mamoru; Fukazawa, Tetsuo; Yazawa, Noriko; Hasegawa, Toshihiko

    1998-01-01

    The relative dielectric constant of an organic solution containing polar ingredients is controlled to 13 or less to enable its solidification. The polarity of the organic solution can be evaluated quantitatively by using the relative dielectric constant. If the relative dielectric constant is high, it can be controlled by dilution using a non-polar organic solvent of low relative dielectric constant. With such procedures, solidification can be conducted by using an economical 12-hydroxy stearic acid, process of liquid wastes can be facilitated and the safety can be ensured. (T.M.)

  10. Improved cement solidification of low and intermediate level radioactive wastes

    International Nuclear Information System (INIS)

    1993-01-01

    Cementation was the first and is still the most widely applied technique for the conditioning of low and intermediate level radioactive wastes. Compared with other solidification techniques, cementation is relatively simple and inexpensive. However, the quality of the final cemented waste forms depends very much on the composition of the waste and the type of cement used. Different kinds of cement are used for different kinds of waste and the compatibility of a specific waste with a specific cement type should always be carefully evaluated. Cementation technology is continuously being developed in order to improve the characteristics of cemented waste in accordance with the increasing requirements for quality of the final solidified waste. Various kinds of additives and chemicals are used to improve the cemented waste forms in order to meet all safety requirements. This report is meant mainly for engineers and designers, to provide an explanation of the chemistry of cementation systems and to facilitate the choice of solidification agents and processing equipment. It reviews recent developments in cementation technology for improving the quality of cemented waste forms and provides a brief description of the various cement solidification processes in use. Refs, figs and tabs

  11. Effect of alloying elements on solidification of primary austenite in Ni-Mn-Cu cast iron

    Directory of Open Access Journals (Sweden)

    A. Janus

    2011-04-01

    Full Text Available Within the research, determined were direction and intensity of alloying elements influence on solidification way (directional orvolumetric of primary austenite dendrites in hypoeutectic austenitic cast iron Ni-Mn-Cu. 50 cast shafts dia. 20 mm were analysed.Chemical composition of the alloy was as follows: 1.7 to 3.3 % C, 1.4 to 3.1 % Si, 2.8 to 9.9 % Ni, 0.4 to 7.7 % Mn, 0 to 4.6 % Cu, 0.14 to0.16 % P and 0.03 to 0.04 % S. The discriminant analysis revealed that carbon influences solidification of primary austenite dendrites most intensively. It clearly increases the tendency to volumetric solidification. Influence of the other elements is much weaker. This means that the solidification way of primary austenite dendrites in hypoeutectic austenitic cast iron Ni-Mn-Cu does not differ from that in an unalloyed cast iron.

  12. Solidification of ion exchange resin wastes in hydraulic cement

    International Nuclear Information System (INIS)

    Neilson, R.M. Jr.; Kalb, P.; Fuhrmann, M.; Colombo, P.

    1982-01-01

    Work has been conducted to investigate the solidification of ion exchange resin wastes with portland cements. These efforts have been directed toward the development of acceptable formulations for the solidification of ion exchange resin wastes and the characterization of the resultant waste forms. This paper describes formulation development work and defines acceptable formulations in terms of ternary phase compositional diagrams. The effects of cement type, resin type, resin loading, waste/cement ratio and water/cement ratio are described. The leachability of unsolidified and solidified resin waste forms and its relationship to full-scale waste form behavior is discussed. Gamma irradiation was found to improve waste form integrity, apparently as a result of increased resin crosslinking. Modifications to improve waste form integrity are described. 3 tables

  13. Laboratory micro- and nanoscale X-ray tomographic investigation of Al–7 at.%Cu solidification structures

    International Nuclear Information System (INIS)

    Patterson, B.M.; Henderson, K.C.; Gibbs, P.J.; Imhoff, S.D.; Clarke, A.J.

    2014-01-01

    X-ray computed tomography across multiple length scales provides an opportunity to non-destructively visualize and quantify the micro- to nano-scale microstructural features of solidification structures in three dimensions. Aluminum–7 at.%copper samples were directionally solidified at three cooling rates (0.44, 0.67, and 1.33 °C/s), resulting in systematic changes in the as-solidified microstructure, which are difficult to quantify using traditional microscopic techniques. The cooling rate of a material affects its ultimate microstructure, and characterizing that microstructure is key to predicting and understanding its bulk properties. Here, two different laboratory X-ray computed tomography instruments were used to characterize as-solidified microstructures, including micro-scale computed tomography with approximately 1 mm field-of-view, ∼ 1.7 μm resolution, and nano-scale X-ray computed tomography ∼ 65 μm FOV, 150 nm resolution. Micro-scale X-ray radiography and computed tomography enabled a quantitative investigation of changes in the primary dendritic solidification structure with increasing cooling rate. Nano-scale absorption contrast X-ray computed tomography resolved the distinct phases of the lamellar eutectic structure and three dimensional measurements of the ∼ 1 μm interlamellar spacing. It is found that the lamella eutectic structure thickness is inversely proportional to the cooling rate. Nano-scale Zernike phase contrast was also used to image voids at eutectic colony boundaries. The application and resolution of these two instruments are discussed with respect to the resolvable features of the solidification structures. - Highlights: • Al–Cu eutectic is a model system for studying solidification microstructure. • X-ray computed tomography provides a 3D picture of these complex structures. • Micro-scale tomography images the primary and secondary dendritic structures. • Nano-scale tomography images the eutectic lamella and

  14. Laboratory micro- and nanoscale X-ray tomographic investigation of Al–7 at.%Cu solidification structures

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, B.M., E-mail: bpatterson@lanl.gov; Henderson, K.C.; Gibbs, P.J.; Imhoff, S.D.; Clarke, A.J.

    2014-09-15

    X-ray computed tomography across multiple length scales provides an opportunity to non-destructively visualize and quantify the micro- to nano-scale microstructural features of solidification structures in three dimensions. Aluminum–7 at.%copper samples were directionally solidified at three cooling rates (0.44, 0.67, and 1.33 °C/s), resulting in systematic changes in the as-solidified microstructure, which are difficult to quantify using traditional microscopic techniques. The cooling rate of a material affects its ultimate microstructure, and characterizing that microstructure is key to predicting and understanding its bulk properties. Here, two different laboratory X-ray computed tomography instruments were used to characterize as-solidified microstructures, including micro-scale computed tomography with approximately 1 mm field-of-view, ∼ 1.7 μm resolution, and nano-scale X-ray computed tomography ∼ 65 μm FOV, 150 nm resolution. Micro-scale X-ray radiography and computed tomography enabled a quantitative investigation of changes in the primary dendritic solidification structure with increasing cooling rate. Nano-scale absorption contrast X-ray computed tomography resolved the distinct phases of the lamellar eutectic structure and three dimensional measurements of the ∼ 1 μm interlamellar spacing. It is found that the lamella eutectic structure thickness is inversely proportional to the cooling rate. Nano-scale Zernike phase contrast was also used to image voids at eutectic colony boundaries. The application and resolution of these two instruments are discussed with respect to the resolvable features of the solidification structures. - Highlights: • Al–Cu eutectic is a model system for studying solidification microstructure. • X-ray computed tomography provides a 3D picture of these complex structures. • Micro-scale tomography images the primary and secondary dendritic structures. • Nano-scale tomography images the eutectic lamella and

  15. Progress in Chemical Kinetic Modeling for Surrogate Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J; Westbrook, C K; Herbinet, O; Silke, E J

    2008-06-06

    Gasoline, diesel, and other alternative transportation fuels contain hundreds to thousands of compounds. It is currently not possible to represent all these compounds in detailed chemical kinetic models. Instead, these fuels are represented by surrogate fuel models which contain a limited number of representative compounds. We have been extending the list of compounds for detailed chemical models that are available for use in fuel surrogate models. Detailed models for components with larger and more complicated fuel molecular structures are now available. These advancements are allowing a more accurate representation of practical and alternative fuels. We have developed detailed chemical kinetic models for fuels with higher molecular weight fuel molecules such as n-hexadecane (C16). Also, we can consider more complicated fuel molecular structures like cyclic alkanes and aromatics that are found in practical fuels. For alternative fuels, the capability to model large biodiesel fuels that have ester structures is becoming available. These newly addressed cyclic and ester structures in fuels profoundly affect the reaction rate of the fuel predicted by the model. Finally, these surrogate fuel models contain large numbers of species and reactions and must be reduced for use in multi-dimensional models for spark-ignition, HCCI and diesel engines.

  16. Bayesian inference of chemical kinetic models from proposed reactions

    KAUST Repository

    Galagali, Nikhil; Marzouk, Youssef M.

    2015-01-01

    © 2014 Elsevier Ltd. Bayesian inference provides a natural framework for combining experimental data with prior knowledge to develop chemical kinetic models and quantify the associated uncertainties, not only in parameter values but also in model

  17. Comparison of kinetic model for biogas production from corn cob

    Science.gov (United States)

    Shitophyta, L. M.; Maryudi

    2018-04-01

    Energy demand increases every day, while the energy source especially fossil energy depletes increasingly. One of the solutions to overcome the energy depletion is to provide renewable energies such as biogas. Biogas can be generated by corn cob and food waste. In this study, biogas production was carried out by solid-state anaerobic digestion. The steps of biogas production were the preparation of feedstock, the solid-state anaerobic digestion, and the measurement of biogas volume. This study was conducted on TS content of 20%, 22%, and 24%. The aim of this research was to compare kinetic models of biogas production from corn cob and food waste as a co-digestion using the linear, exponential equation, and first-kinetic models. The result showed that the exponential equation had a better correlation than the linear equation on the ascending graph of biogas production. On the contrary, the linear equation had a better correlation than the exponential equation on the descending graph of biogas production. The correlation values on the first-kinetic model had the smallest value compared to the linear and exponential models.

  18. Experimental and thermodynamic assessments of substitutions in the AlFeSi, FeMnSi, FeSiZr and AlCaFeSi systems (65 wt % Si) - solidification simulation

    International Nuclear Information System (INIS)

    Gueneau, C.; Ansara, I.

    1994-01-01

    The substitutions of Al Si, Fe Mn and Fe Zr in some intermetallic compounds of the Al-Fe-Si, Fe-Mn-Si and Fe-Si-Zr systems are modelled in the Si-rich corner using a two sublattice model. The solidification paths of the studied alloys are determined at equilibrium. The ascalculated phase volume fractions of the alloys are compared to the experimental ones. Finally, a solidification simulation using the Gulliver-Scheil's model is performed in order to explain the formation of some precipitates experimentally observed. (authors). 14 figs., 19 refs

  19. Kinetic modeling of Nernst effect in magnetized hohlraums.

    Science.gov (United States)

    Joglekar, A S; Ridgers, C P; Kingham, R J; Thomas, A G R

    2016-04-01

    We present nanosecond time-scale Vlasov-Fokker-Planck-Maxwell modeling of magnetized plasma transport and dynamics in a hohlraum with an applied external magnetic field, under conditions similar to recent experiments. Self-consistent modeling of the kinetic electron momentum equation allows for a complete treatment of the heat flow equation and Ohm's law, including Nernst advection of magnetic fields. In addition to showing the prevalence of nonlocal behavior, we demonstrate that effects such as anomalous heat flow are induced by inverse bremsstrahlung heating. We show magnetic field amplification up to a factor of 3 from Nernst compression into the hohlraum wall. The magnetic field is also expelled towards the hohlraum axis due to Nernst advection faster than frozen-in flux would suggest. Nonlocality contributes to the heat flow towards the hohlraum axis and results in an augmented Nernst advection mechanism that is included self-consistently through kinetic modeling.

  20. Improved Kinetic Models for High-Speed Combustion Simulation

    National Research Council Canada - National Science Library

    Montgomery, C. J; Tang, Q; Sarofim, A. F; Bockelie, M. J; Gritton, J. K; Bozzelli, J. W; Gouldin, F. C; Fisher, E. M; Chakravarthy, S

    2008-01-01

    Report developed under an STTR contract. The overall goal of this STTR project has been to improve the realism of chemical kinetics in computational fluid dynamics modeling of hydrocarbon-fueled scramjet combustors...

  1. Chemical kinetics and combustion modelling with CFX 4

    Energy Technology Data Exchange (ETDEWEB)

    Stopford, P [AEA Technology, Computational Fluid Dynamics Services Harwell, Oxfordshire (United Kingdom)

    1998-12-31

    The presentation describes some recent developments in combustion and kinetics models used in the CFX software of AEA Technology. Three topics are highlighted: the development of coupled solvers in a traditional `SIMPLE`-based CFD code, the use of detailed chemical kinetics mechanism via `look-up` tables and the application of CFD to large-scale multi-burner combustion plant. The aim is identify those physical approximations and numerical methods that are likely to be most useful in the future and those areas where further developments are required. (author) 6 refs.

  2. Chemical kinetics and combustion modelling with CFX 4

    Energy Technology Data Exchange (ETDEWEB)

    Stopford, P. [AEA Technology, Computational Fluid Dynamics Services Harwell, Oxfordshire (United Kingdom)

    1997-12-31

    The presentation describes some recent developments in combustion and kinetics models used in the CFX software of AEA Technology. Three topics are highlighted: the development of coupled solvers in a traditional `SIMPLE`-based CFD code, the use of detailed chemical kinetics mechanism via `look-up` tables and the application of CFD to large-scale multi-burner combustion plant. The aim is identify those physical approximations and numerical methods that are likely to be most useful in the future and those areas where further developments are required. (author) 6 refs.

  3. Generalized kinetic model of reduction of molecular oxidant by metal containing redox

    International Nuclear Information System (INIS)

    Kravchenko, T.A.

    1986-01-01

    Present work is devoted to kinetics of reduction of molecular oxidant by metal containing redox. Constructed generalized kinetic model of redox process in the system solid redox - reagent solution allows to perform the general theoretical approach to research and to obtain new results on kinetics and mechanism of interaction of redox with oxidants.

  4. Behaviour of defective CANDU fuel: fuel oxidation kinetic and thermodynamic modelling

    International Nuclear Information System (INIS)

    Higgs, J.

    2005-01-01

    The thermal performance of operating CANDU fuel under defect conditions is affected by the ingress of heavy water into the fuel element. A mechanistic model has been developed to predict the extent of fuel oxidation in defective fuel and its affect on fuel thermal performance. A thermodynamic treatment of such oxidized fuel has been performed as a basis for the boundary conditions in the kinetic model. Both the kinetic and thermodynamic models have been benchmarked against recent experimental work. (author)

  5. Interface Pattern Selection in Directional Solidification

    Science.gov (United States)

    Trivedi, Rohit; Tewari, Surendra N.

    2001-01-01

    The central focus of this research is to establish key scientific concepts that govern the selection of cellular and dendritic patterns during the directional solidification of alloys. Ground-based studies have established that the conditions under which cellular and dendritic microstructures form are precisely where convection effects are dominant in bulk samples. Thus, experimental data can not be obtained terrestrially under pure diffusive regime. Furthermore, reliable theoretical models are not yet possible which can quantitatively incorporate fluid flow in the pattern selection criterion. Consequently, microgravity experiments on cellular and dendritic growth are designed to obtain benchmark data under diffusive growth conditions that can be quantitatively analyzed and compared with the rigorous theoretical model to establish the fundamental principles that govern the selection of specific microstructure and its length scales. In the cellular structure, different cells in an array are strongly coupled so that the cellular pattern evolution is controlled by complex interactions between thermal diffusion, solute diffusion and interface effects. These interactions give infinity of solutions, and the system selects only a narrow band of solutions. The aim of this investigation is to obtain benchmark data and develop a rigorous theoretical model that will allow us to quantitatively establish the physics of this selection process.

  6. Development of high-level waste solidification technology 1

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Joon Hyung; Kim, Hwan Young; Kim, In Tae [and others

    1999-02-01

    Spent nuclear fuel contains useful nuclides as valuable resource materials for energy, heat and catalyst. High-level wastes (HLW) are expected to be generated from the R and D activities and reuse processes. It is necessary to develop vitrification or advanced solidification technologies for the safe long-term management of high level wastes. As a first step to establish HLW vitrification technology, characterization of HLWs that would arise at KAERI site, glass melting experiments with a lab-scale high frequency induction melter, and fabrication and property evaluation of base-glass made of used HEPA filter media and additives were performed. Basic study on the fabrication and characterization of candidate ceramic waste form (Synroc) was also carried out. These HLW solidification technologies would be directly useful for carrying out the R and Ds on the nuclear fuel cycle and waste management. (author). 70 refs., 29 tabs., 35 figs.

  7. Retrofit of existing Dow solidification system at quad cities nuclear station

    International Nuclear Information System (INIS)

    Dekitis, L.; Jarvis, N.; Petri, R.; Testa, J.

    1983-01-01

    Over the past year ATCOR has been involved in the design, testing and supply of an In-container Mixing System Retrofit for Commonwealth Edison's Quad Cities Nuclear Station Solidification System. The system supplied by DOW, itself a retrofit of a urea formaldehyde system, was based upon use of 50 cubic foot containers (liners). ATCOR's retrofit increased liner capacity to 170 cubic feet and allowed in-cask solidification of highly radioactive material. This paper discusses the reasons for the decision to replace equipment within the originally furnished system and the development of the ATCOR plan to proof-test this equipment prior to delivery at the site. Results of this pre-testing, and a comparison between pre-tested conditions and the actual in-plan start-up tests are presented. Development of improved instrumentation and mechanical modifications which enhance the reliability of the ATCOR/DOW process In-container Mixing System was provided as a part of this project. Test results are presented on instruments, controls and the unique method of mechanical attachment of the Mixing Head to the solidification container

  8. A scaling analysis of alloy solidification in presence of electromagnetic stirring

    International Nuclear Information System (INIS)

    Kumar, Arvind; Dutta, Pradip

    2006-01-01

    Application of electromagnetic stirring (EMS) during continuous casting shears off the dendrites from the solidification front to produce billets with a non-dendritic microstructure. In the present study, a systematic approach to the scaling analysis of momentum, energy and species conservation equations pertaining to the case of the solidification of a binary alloy in the presence of EMS is outlined. With suitable choices of non-dimensionalizing parameters, the governing equations coupled with appropriate boundary conditions are first scaled, and then the relative significance of various terms appearing in them are analysed. In the physical domain two regions are identified, one where the electromagnetic forces play a dominant role in the momentum equations, and the other where the inertia and viscous effects play major roles. Using the scaling predictions, the influence of various processing parameters on the system variables can be utilized for the selection of appropriate electromagnetic forces to shear off the dendrites from the solidification area. For the sake of assessment of the scaling analysis, the predictions are validated against corresponding computational results

  9. An efficient approach to bioconversion kinetic model generation based on automated microscale experimentation integrated with model driven experimental design

    DEFF Research Database (Denmark)

    Chen, B. H.; Micheletti, M.; Baganz, F.

    2009-01-01

    -erythrulose. Experiments were performed using automated microwell studies at the 150 or 800 mu L scale. The derived kinetic parameters were then verified in a second round of experiments where model predictions showed excellent agreement with experimental data obtained under conditions not included in the original......Reliable models of enzyme kinetics are required for the effective design of bioconversion processes. Kinetic expressions of the enzyme-catalysed reaction rate however, are frequently complex and establishing accurate values of kinetic parameters normally requires a large number of experiments....... These can be both time consuming and expensive when working with the types of non-natural chiral intermediates important in pharmaceutical syntheses. This paper presents ail automated microscale approach to the rapid and cost effective generation of reliable kinetic models useful for bioconversion process...

  10. Manufacture history results of an investigation of the bitumen solidification object towards the check of an abandonment object

    International Nuclear Information System (INIS)

    Kogawa, Noboru; Kondo, Toshiyuki

    2001-08-01

    In order to make this book reflect in the investigation which turned the bitumen solidification object to maintenance of the abandonment object technical standard on condition of carrying out subterranean disposal in the future, it created for the purpose of utilizing as precious sources of information, such as a nuclide inventory in the living body, group-izing of the past campaign required for typical solidification object selection, and information offer at the time of disposal examination. A development operation history collected so that histories including the shift action in an institution of the formation of discharge reduction of the characteristic of solidification object manufacture outlines, such as composition of the process of an institution and a solidification object and a storage actual result, the contents of an examination of the past campaign, and the solidification object manufactured based on topics or radioactive iodine and radioactive carbon etc., such as the past contents of an examination/operation, may grasp comprehensively in creation, and it carried out as the composition stared the trend of future disposal fixedly. It was a period (for 16 years) until an bituminization demonstration facility processing institution will start a cold examination from April (Showa 57), 1982, and it starts a hot examination from May 4, it starts solidification processing technical development operation from October 6 and it results in the fire explosion accident on March 11 (Heisei 9), 1997, and low level radioactivity concentration waste fluid was processed 7,438m 3 and 29,967 bitumen solidification objects were manufactured. According to the accident, it is necessary to hand it down to future generations with processing technology while the bitumen solidification object manufactured in 15 years although the bituminization demonstration facility processing institution came to close the mission holds information precious when considering future disposal

  11. Solidification interface shape control in a continuous Czochralski silicon growth system

    Science.gov (United States)

    Wang, Chenlei; Zhang, Hui; Wang, Tihu; Zheng, Lili

    2006-01-01

    In a continuous Czochralski (CCZ) growth system with a shallow and replenished melt proposed earlier, large-diameter crystals may be grown at a high pull rate and reduced melt convection. The proposed system consists of two heaters. In this paper, the relationship between the solidification interface and the power levels is established. An interface control algorithm is developed to achieve the desired interface shape by adjusting the power level of the bottom heater. The control algorithm is incorporated into an existing process model, and the efficiency of the control algorithm is tested.

  12. Effect of alloying elements on the isothermal solidification during TLP bonding of SS 410 and SS 321 using a BNi-2 interlayer

    Energy Technology Data Exchange (ETDEWEB)

    Arafin, M.A. [Department of Mechanical and Industrial Engineering, Concordia University, Montreal, H3G 1M8 (Canada)], E-mail: ma_arafi@encs.concordia.ca; Medraj, M. [Department of Mechanical and Industrial Engineering, Concordia University, Montreal, H3G 1M8 (Canada)], E-mail: mmedraj@encs.concordia.ca; Turner, D.P. [Metallurgical Planning, Pratt and Whitney Canada, Longueuil, Que., J4G 1A1 (Canada)], E-mail: Daniel.P.Turner@pwc.ca; Bocher, P. [Department de Genie Mecanique, Ecole de Technologie Superieure, Montreal, H3C 1K3 (Canada)], E-mail: Philippe.Bocher@etsmtl.ca

    2007-11-15

    The random diffusion of solute atoms during transient liquid phase (TLP) bonding of SS 410 and 321 with nickel-based brazing filler alloy BNi-2 have been modeled using Random Walk Modeling technique. Cumulative probability distributions and probability density functions of isothermal solidification times have been calculated for different process conditions and verified with experimental data. The solubility limit of boron has been found to have decreased from 0.3 at.% at higher temperature bonding operations (1358-1394 K) because of substantial iron-rich base metal dissolution when SS 410 was used as base metals; whereas it remained unchanged for SS 321/BNi-2 combination because of high concentrations of nickel and chromium in the base metal. Silicon diffusion model, based on the EDS analysis, also predicted the isothermal solidification times reasonably well.

  13. Norepinephrine metabolism in humans. Kinetic analysis and model

    International Nuclear Information System (INIS)

    Linares, O.A.; Jacquez, J.A.; Zech, L.A.; Smith, M.J.; Sanfield, J.A.; Morrow, L.A.; Rosen, S.G.; Halter, J.B.

    1987-01-01

    The present study was undertaken to quantify more precisely and to begin to address the problem of heterogeneity of the kinetics of distribution and metabolism of norepinephrine (NE) in humans, by using compartmental analysis. Steady-state NE specific activity in arterialized plasma during [ 3 H]NE infusion and postinfusion plasma disappearance of [ 3 H]NE were measured in eight healthy subjects in the supine and upright positions. Two exponentials were clearly identified in the plasma [ 3 H]NE disappearance curves of each subject studied in the supine (r = 0.94-1.00, all P less than 0.01) and upright (r = 0.90-0.98, all P less than 0.01) positions. A two-compartment model was the minimal model necessary to simultaneously describe the kinetics of NE in the supine and upright positions. The NE input rate into the extravascular compartment 2, estimated with the minimal model, increased with upright posture (1.87 +/- 0.08 vs. 3.25 +/- 0.2 micrograms/min per m2, P less than 0.001). Upright posture was associated with a fall in the volume of distribution of NE in compartment 1 (7.5 +/- 0.6 vs. 4.7 +/- 0.3 liters, P less than 0.001), and as a result of that, there was a fall in the metabolic clearance rate of NE from compartment 1 (1.80 +/- 0.11 vs. 1.21 +/- 0.08 liters/min per m2, P less than 0.001). We conclude that a two-compartment model is the minimal model that can accurately describe the kinetics of distribution and metabolism of NE in humans

  14. Vibrational kinetics in CO electric discharge lasers - Modeling and experiments

    Science.gov (United States)

    Stanton, A. C.; Hanson, R. K.; Mitchner, M.

    1980-01-01

    A model of CO laser vibrational kinetics is developed, and predicted vibrational distributions are compared with measurements. The experimental distributions were obtained at various flow locations in a transverse CW discharge in supersonic (M = 3) flow. Good qualitative agreement is obtained in the comparisons, including the prediction of a total inversion at low discharge current densities. The major area of discrepancy is an observed loss in vibrational energy downstream of the discharge which is not predicted by the model. This discrepancy may be due to three-dimensional effects in the experiment which are not included in the model. Possible kinetic effects which may contribute to vibrational energy loss are also examined.

  15. A kinetic model for the transport of electrons in a graphene layer

    Energy Technology Data Exchange (ETDEWEB)

    Fermanian Kammerer, Clotilde, E-mail: Clotilde.Fermanian@u-pec.fr [Laboratoire d' Analyse et de Mathématiques Appliquées, Université Paris Est and CNRS, 61, avenue du Général de Gaulle, 94010 Créteil Cedex (France); Méhats, Florian, E-mail: florian.mehats@univ-rennes1.fr [Institut de Recherche Mathématique de Rennes, IPSO Inria team, Université Rennes 1 and CNRS, Campus de Beaulieu, 35042 Rennes cedex (France)

    2016-12-15

    In this article, we propose a new numerical scheme for the computation of the transport of electrons in a graphene device. The underlying quantum model for graphene is a massless Dirac equation, whose eigenvalues display a conical singularity responsible for non-adiabatic transitions between the two modes. We first derive a kinetic model which takes the form of two Boltzmann equations coupled by a collision operator modeling the non-adiabatic transitions. This collision term includes a Landau–Zener transfer term and a jump operator whose presence is essential in order to ensure a good energy conservation during the transitions. We propose an algorithmic realization of the semi-group solving the kinetic model, by a particle method. We give analytic justification of the model and propose a series of numerical experiments studying the influences of the various sources of errors between the quantum and the kinetic models.

  16. Universal Rate Model Selector: A Method to Quickly Find the Best-Fit Kinetic Rate Model for an Experimental Rate Profile

    Science.gov (United States)

    2017-08-01

    k2 – k1) 3.3 Universal Kinetic Rate Platform Development Kinetic rate models range from pure chemical reactions to mass transfer...14 8. The rate model that best fits the experimental data is a first-order or homogeneous catalytic reaction ...Avrami (7), and intraparticle diffusion (6) rate equations to name a few. A single fitting algorithm (kinetic rate model ) for a reaction does not

  17. Modeling of subtle kinetic processes in plasma simulation

    International Nuclear Information System (INIS)

    Sydora, R.D.; Decyk, V.K.; Dawson, J.M.

    1988-01-01

    A new diagnostic method for plasma simulation models is presented which enables one to probe the subtle dielectric properties of the plasma medium. The procedure involves the removal of the background plasma response in order to isolate the effects of small perturbing influences which are externally added. We have found the technique accurately describes fundamental kinetic plasma behavior such as the shielding of individual test charges and currents. Wave emission studies and drag of test particles has been carried out in explicit particle algorithms as well as large time step implicit and gyrokinetic models. Accurate plasma behavior is produced and it is possible to investigate in detail, processes which can be compared with plasma kinetic theory. The technique of subtraction is not only limited to particle simulation models but also can be used in MHD or fluid models where resolution is difficult due to the intensity of the background response relative to the phenomena one is interested in measuring, such as a weakly grouwing instability or nonlinear mode coupling effect. (author)

  18. Screw-vector bond graphs for kinetic-static modelling and analysis of mechanisms

    International Nuclear Information System (INIS)

    Bidard, Catherine

    1994-01-01

    This dissertation deals with the kinetic-static modelling and analysis of spatial mechanisms used in robotics systems. A framework is proposed, which embodies a geometrical and a network approach for kinetic-static modelling. For this purpose we use screw theory and bond graphs. A new form of bond graphs is introduced: the screw-vector bond graph, whose power variables are defined to be wrenches and twists expressed as intrinsic screw-vectors. The mechanism is then identified as a network, whose components are kinematic pairs and whose topology is described by a directed graph. A screw-vector Simple Junction Structure represents the topological constraints. Kinematic pairs are represented by one-port elements, defined by two reciprocal screw-vector spaces. Using dual bases of screw-vectors, a generic decomposition of kinematic pair elements is given. The reduction of kinetic-static models of series and parallel kinematic chains is used in order to derive kinetic-static functional models in geometric form. Thereupon, the computational causality assignment is adapted for the graphical analysis of the mobility and the functioning of spatial mechanisms, based on completely or incompletely specified models. (author) [fr

  19. Solidification of radioactive wastes with inorganic binders (literature survey)

    International Nuclear Information System (INIS)

    Rudolph, G.; Koester, R.

    A survey is provided on solidification of radioactive waste solutions, sludges and tritium waste water through cement and other inorganic binders. A general survey of the possibilities described in the literature is followed by a somewhat more detailed description of the work carried on at four research establishments in the United States, Oak Ridge National Laboratory, Savannah River Laboratory, Brookhaven National Laboratory, and Atlantic Richfield Hanford Company, supplemented by personal information. Additional sections describe the experiences with various types of cement and the possibilities for improvement of solidification products through preliminary fixation of the toxic nuclides (transformation into insoluble products or absorption); there is a further possibility of post-treatment through polymer impregnation. Finally, definition and determination of leachability are provided and some results compiled. 74 references, 7 figures, 5 tables

  20. Experimental Observation and Analytical Modeling of Melting and Solidification during Aluminum Alloy Repair by Turbulence Flow Casting

    Directory of Open Access Journals (Sweden)

    Muki Satya Permana

    2015-10-01

    Full Text Available This paper presents an overview on the state of the art of applicable casting technology for applications in the field of repairing aluminum alloy components. Repair process on the Al alloy sample using similar metal has been carried out to investigate the micro-structural effect. Joining occurs as a result of convection heat transfer of molten flow into the sand mold which melts the existing base metal inside the mold and subsequent solidification. The analytical model has been developed to describe aluminum alloy component repair by turbulence flow casting. The model is designed based on heat transfer principle that can handle the phenomena of heat flow. The experimental result and analytical model analyses pointed out that joint quality are greatly affected by parameters of preheating temperature and duration of molten metal flow in the mold. To obtain a desired metallurgical sound at the joint, the optimum temperature and time were adjusted in order to obtain a similarity of microstructure between filler and base metal. This model is aimed to predict the use of the process parameter ranges in order to have the optimum parameters when it is applied to the experiment. The fixed parameters are flow rate, sand ratio, and pouring temperature. The process parameters are preheating temperature and pouring time. It is concluded that analytical modeling has good agreement with the experimental result.

  1. Experimental Observation and Analytical Modeling of Melting and Solidification during Aluminum Alloy Repair by Turbulence Flow Casting

    Directory of Open Access Journals (Sweden)

    Muki Satya Permana

    2017-03-01

    Full Text Available This paper presents an overview on the state of the art of applicable casting technology for applications in the field of repairing Aluminium Alloy components. Repair process on the Aluminium sample using similar metal has been carried out to investigate the micro-structural effect. Joining occurs as a result of convection heat transfer of molten flow into the sand mold which melts the existing base metal inside the mold and subsequent solidification. The analytical model has been developed to describe aluminium component repair by Turbulence Flow Casting. The model built is based on heat transfer principle that can handle the phenomena of heat flow. The experimental result and analytical model analyses pointed out that joint quality are greatly affected by parameters of preheating temperature and duration of molten metal flow in the mold. To obtain a desired metallurgical sound at the joint, the optimum temperature and time were adjusted in order to obtain a similarity of microstructure between filler and base metal. This model is aimed to predict the use of the process parameter ranges in order to have the optimum parameters when it is applied to the experiment. The fixed parameters are flow rate, sand ratio, and pouring temperature. The process parameters are preheating temperature and pouring time. It is concluded that anaytical modeling has good agreement with the experimental result

  2. Ammonium removal from aqueous solutions by clinoptilolite: determination of isotherm and thermodynamic parameters and comparison of kinetics by the double exponential model and conventional kinetic models.

    Science.gov (United States)

    Tosun, Ismail

    2012-03-01

    The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R(2)) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

  3. Ammonium Removal from Aqueous Solutions by Clinoptilolite: Determination of Isotherm and Thermodynamic Parameters and Comparison of Kinetics by the Double Exponential Model and Conventional Kinetic Models

    Directory of Open Access Journals (Sweden)

    İsmail Tosun

    2012-03-01

    Full Text Available The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R and four three-parameter (Redlich-Peterson (R-P, Sips, Toth and Khan isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R2 of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°, enthalpy (∆H° and entropy (∆S° of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

  4. Chemistry resolved kinetic flow modeling of TATB based explosives

    Science.gov (United States)

    Vitello, Peter; Fried, Laurence E.; William, Howard; Levesque, George; Souers, P. Clark

    2012-03-01

    Detonation waves in insensitive, TATB-based explosives are believed to have multiple time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. We use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. We term our model chemistry resolved kinetic flow, since CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. We present here two variants of our new rate model and comparison with hot, ambient, and cold experimental data for PBX 9502.

  5. Modeling of scale-dependent bacterial growth by chemical kinetics approach.

    Science.gov (United States)

    Martínez, Haydee; Sánchez, Joaquín; Cruz, José-Manuel; Ayala, Guadalupe; Rivera, Marco; Buhse, Thomas

    2014-01-01

    We applied the so-called chemical kinetics approach to complex bacterial growth patterns that were dependent on the liquid-surface-area-to-volume ratio (SA/V) of the bacterial cultures. The kinetic modeling was based on current experimental knowledge in terms of autocatalytic bacterial growth, its inhibition by the metabolite CO2, and the relief of inhibition through the physical escape of the inhibitor. The model quantitatively reproduces kinetic data of SA/V-dependent bacterial growth and can discriminate between differences in the growth dynamics of enteropathogenic E. coli, E. coli JM83, and Salmonella typhimurium on one hand and Vibrio cholerae on the other hand. Furthermore, the data fitting procedures allowed predictions about the velocities of the involved key processes and the potential behavior in an open-flow bacterial chemostat, revealing an oscillatory approach to the stationary states.

  6. Modeling of Scale-Dependent Bacterial Growth by Chemical Kinetics Approach

    Directory of Open Access Journals (Sweden)

    Haydee Martínez

    2014-01-01

    Full Text Available We applied the so-called chemical kinetics approach to complex bacterial growth patterns that were dependent on the liquid-surface-area-to-volume ratio (SA/V of the bacterial cultures. The kinetic modeling was based on current experimental knowledge in terms of autocatalytic bacterial growth, its inhibition by the metabolite CO2, and the relief of inhibition through the physical escape of the inhibitor. The model quantitatively reproduces kinetic data of SA/V-dependent bacterial growth and can discriminate between differences in the growth dynamics of enteropathogenic E. coli, E. coli  JM83, and Salmonella typhimurium on one hand and Vibrio cholerae on the other hand. Furthermore, the data fitting procedures allowed predictions about the velocities of the involved key processes and the potential behavior in an open-flow bacterial chemostat, revealing an oscillatory approach to the stationary states.

  7. Simulating the Effect of Space Vehicle Environments on Directional Solidification of a Binary Alloy

    Science.gov (United States)

    Westra, D. G.; Heinrich, J. C.; Poirier, D. R.

    2003-01-01

    Space microgravity missions are designed to provide a microgravity environment for scientific experiments, but these missions cannot provide a perfect environment, due to vibrations caused by crew activity, on-board experiments, support systems (pumps, fans, etc.), periodic orbital maneuvers, and water dumps. Therefore, it is necessary to predict the impact of these vibrations on space experiments, prior to performing them. Simulations were conducted to study the effect of the vibrations on the directional solidification of a dendritic alloy. Finite element ca!cu!attie?ls were dme with a simd2titcr based on a continuum model of dendritic solidification, using the Fractional Step Method (FSM). The FSM splits the solution of the momentum equation into two steps: the viscous intermediate step, which does not enforce continuity; and the inviscid projection step, which calculates the pressure and enforces continuity. The FSM provides significant computational benefits for predicting flows in a directionally solidified alloy, compared to other methods presently employed, because of the efficiency gains in the uncoupled solution of velocity and pressure. finite differences, arises when the interdendritic liquid reaches the eutectic temperature and concentration. When a node reaches eutectic temperature, it is assumed that the solidification of the eutectic liquid continues at constant temperature until all the eutectic is solidified. With this approach, solidification is not achieved continuously across an element; rather, the element is not considered solidified until the eutectic isotherm overtakes the top nodes. For microgravity simulations, where the convection is driven by shrinkage, it introduces large variations in the fluid velocity. When the eutectic isotherm reaches a node, all the eutectic must be solidified in a short period, causing an abrupt increase in velocity. To overcome this difficulty, we employed a scheme to numerically predict a more accurate value

  8. The solidification of aluminum production waste in geopolymer matrix

    Czech Academy of Sciences Publication Activity Database

    Perná, Ivana; Hanzlíček, Tomáš

    2014-01-01

    Roč. 84, DEC 1 (2014), s. 657-662 ISSN 0959-6526 Institutional support: RVO:67985891 Keywords : aluminum waste * solidification * recycling * geopolymer Subject RIV: DM - Solid Waste and Recycling Impact factor: 3.844, year: 2014

  9. Remotely operated facility for in situ solidification of fissile uranium

    International Nuclear Information System (INIS)

    McGinnis, C.P.; Collins, E.D.; Patton, B.D.

    1986-01-01

    A heavily shielded, remotely operated facility, located within the Radiochemical processing Plant at Oak Ridge National Laboratory (ORNL), has been designed and is being operated to convert approx.1000 kg of fissile uranium (containing approx.75% 235 U, approx.10% 233 U, and approx.140 ppM 232 U) from a nitrate solution (130 g of uranium per L) to a solid oxide form. This project, the Consolidated Edison Uranium Solidification Program (CEUSP), is being carried out in order to prepare a stable uranium form for longterm storage. This paper describes the solidification process selected, the equipment and facilities required, the experimental work performed to ensure successful operation, some problems that were solved, and the initial operations

  10. Study of plastic solidification process on solid radioactive waste treatment

    International Nuclear Information System (INIS)

    Jing Weiguan; Zhang Yinsheng; Qian Wenju

    1994-01-01

    Comparisons between the plastic solidification conditions of incinerated ash and waste cation resin by using thermosetting plastic polyvinyl chloride (PVC), polystyrene (PS) and polyethylene (PE), and identified physico-chemical properties and irradiation resistance of solidified products were presented. These solidified products have passed through different tests as compression strength, leachability, durability, stability, permeability and irradiation resistance (10 6 Gy) etc. The result showed that the solidified products possessed stable properties and met the storage requirement. The waste tube of radioimmunoassay, being used as solidification medium to contain incinerated ash, had good mechanical properties and satisfactory volume reduction. This process may develop a new way for disposal solid radioactive waste by means of re-using waste

  11. Rapid Solidification of AB{sub 5} Hydrogen Storage Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gulbrandsen-Dahl, Sverre

    2002-01-01

    This doctoral thesis is concerned with rapid solidification of AB{sub 5} materials suitable for electrochemical hydrogen storage. The primary objective of the work has been to characterise the microstructure and crystal structure of the produced AB{sub 5} materials as a function of the process parameters, e.g. the cooling rate during rapid solidification, the determination of which has been paid special attention to. The thesis is divided into 6 parts, of which Part I is a literature review, starting with a short presentation of energy storage alternatives. Then a general review of metal hydrides and their utilisation as energy carriers is presented. This part also includes more detailed descriptions of the crystal structure, the chemical composition and the hydrogen storage properties of AB{sub 5} materials. Furthermore, a description of the chill-block melt spinning process and the gas atomisation process is given. In Part II of the thesis a digital photo calorimetric technique has been developed and applied for obtaining in situ temperature measurements during chill-block melt spinning of a Mm(NiCoMnA1){sub 5} hydride forming alloy (Mm = Mischmetal of rare earths). Compared with conventional colour transmission temperature measurements, this technique offers a special advantage in terms of a high temperature resolutional and positional accuracy, which under the prevailing experimental conditions were found to be {+-}29 K and {+-} 0.1 mm, respectively. Moreover, it is shown that the cooling rate in solid state is approximately 2.5 times higher than that observed during solidification, indicating that the solid ribbon stayed in intimate contact with the wheel surface down to very low metal temperatures before the bond was broken. During this contact period the cooling regime shifted from near ideal in the melt puddle to near Newtonian towards the end, when the heat transfer from the solid ribbon to the wheel became the rate controlling step. In Part III of the

  12. Investigation of solidification behavior of the Sn-rich ternary Sn–Bi–Zn alloys

    Directory of Open Access Journals (Sweden)

    S Mladenović

    2017-03-01

    Full Text Available Solidification properties and microstructure of six as-cast Sn–Bi–Zn alloys with 80 at.% of Sn and variable contents of Bi and Zn were experimentally investigated using the scanning electron microscopy (SEM with energy-dispersive X-ray spectroscopy (EDS and differential scanning calorimetry (DSC. The experimentally obtained results were compared with predicted phase equilibria according to the calculation of phase diagram (CALPHAD method and by the Scheil solidification simulation.

  13. Analysis of capital and operating costs associated with high level waste solidification processes

    International Nuclear Information System (INIS)

    Heckman, R.A.; Kniazewycz, B.G.

    1978-03-01

    An analysis was performed to evaluate the sensitivity of annual operating costs and capital costs of waste solidification processes to various parameters defined by the requirements of a proposed Federal waste repository. Five process methods and waste forms examined were: salt cake, spray calcine, fluidized bed calcine, borosilicate glass, and supercalcine multibarrier. Differential cost estimates of the annual operating and maintenance costs and the capital costs for the five HLW solidification alternates were developed

  14. Stabilization/solidification of synthetic Nigerian drill cuttings | Opete ...

    African Journals Online (AJOL)

    Stabilization/solidification of synthetic Nigerian drill cuttings. SEO Opete, IA Mangibo, ET Iyagba. Abstract. In the Nigerian oil and gas industry, large quantities of oily and synthetic drill cuttings are produced annually. These drill cuttings are heterogeneous wastes which comprises of hydrocarbons, heavy metals and ...

  15. Kinetic modeling and fitting software for interconnected reaction schemes: VisKin.

    Science.gov (United States)

    Zhang, Xuan; Andrews, Jared N; Pedersen, Steen E

    2007-02-15

    Reaction kinetics for complex, highly interconnected kinetic schemes are modeled using analytical solutions to a system of ordinary differential equations. The algorithm employs standard linear algebra methods that are implemented using MatLab functions in a Visual Basic interface. A graphical user interface for simple entry of reaction schemes facilitates comparison of a variety of reaction schemes. To ensure microscopic balance, graph theory algorithms are used to determine violations of thermodynamic cycle constraints. Analytical solutions based on linear differential equations result in fast comparisons of first order kinetic rates and amplitudes as a function of changing ligand concentrations. For analysis of higher order kinetics, we also implemented a solution using numerical integration. To determine rate constants from experimental data, fitting algorithms that adjust rate constants to fit the model to imported data were implemented using the Levenberg-Marquardt algorithm or using Broyden-Fletcher-Goldfarb-Shanno methods. We have included the ability to carry out global fitting of data sets obtained at varying ligand concentrations. These tools are combined in a single package, which we have dubbed VisKin, to guide and analyze kinetic experiments. The software is available online for use on PCs.

  16. A Comparative study of solidification of Al-Cu alloy under flow of cylindrical radial heat and the unidirectional vertically

    Directory of Open Access Journals (Sweden)

    Jean Robert P. Rodrigues

    2014-09-01

    Full Text Available In spite of technological importance of solidification of metallic alloys under radial heat flow, relatively few studies have been carried out in this area. In this work the solidification of Al 4.5 wt% Cu cylinders against a steel massive mold is analyzed and compared with unidirectional solidification against a cooled mold. Initially temperature variations at different positions in the casting and in the mold were measured during solidification using a data acquisition system. These temperature variations were introduced in a numerical method in order to determine the variation of heat transfer coefficient at metal/mold interface by inverse method. The primary and secondary dendrite arm spacing variations were measured through optical microscopy. Comparisons carried out between experimental and numerical data showed that the numerical method describes well the solidification processes under radial heat flux.

  17. Techniques for the solidification of high-level wastes

    International Nuclear Information System (INIS)

    1977-01-01

    The problem of the long-term management of the high-level wastes from the reprocessing of irradiated nuclear fuel is receiving world-wide attention. While the majority of the waste solutions from the reprocessing of commercial fuels are currently being stored in stainless-steel tanks, increasing effort is being devoted to developing technology for the conversion of these wastes into solids. A number of full-scale solidification facilities are expected to come into operation in the next decade. The object of this report is to survey and compare all the work currently in progress on the techniques available for the solidification of high-level wastes. It will examine the high-level liquid wastes arising from the various processes currently under development or in operation, the advantages and disadvantages of each process for different types and quantities of waste solutions, the stages of development, the scale-up potential and flexibility of the processes

  18. Thermodynamic assessment of liquid composition change during solidification and its effect on freckle formation in superalloys

    International Nuclear Information System (INIS)

    Long Zhengdong; Liu Xingbo; Yang Wanhong; Chang, K.-M.; Barbero, Ever

    2004-01-01

    The solidification macrosegregation, i.e. freckle, becomes more and more concerned with ever increasing demand for the large ingot size of superalloys. The evaluation of freckle formation is very difficult because of the less understanding of freckle formation mechanism and complex solidification behaviors of multi-component superalloys. The macrostructure of typical Nb-bearing and Ti-bearing superalloys in horizontally directional solidification and vacuum arc remelting (VAR) ingots were investigated to clarify the freckle formation mechanism. The thermodynamic approach was proposed to simulate the solidification behaviors. The relative Ra numbers, a reliable criterion, of freckle formation for some alloys were obtained based on the results of thermodynamic calculations. This thermodynamic approach was evaluated through comparison of the calculations from semi-experimental results. The Ra numbers obtained by thermodynamic approach are in good agreement with the ingot size capability of the industry melting shops, which is limited mainly by freckle defects

  19. Microstructure and fractal characteristics of the solid-liquid interface forming during directional solidification of Inconel 718

    Directory of Open Access Journals (Sweden)

    WANG Ling

    2007-08-01

    Full Text Available The solidification microstructure and fractal characteristics of the solid-liquid interfaces of Inconel 718, under different cooling rates during directional solidification, were investigated by using SEM. Results showed that 5 μm/s was the cellular-dendrite transient rate. The prime dendrite arm spacing (PDAS was measured by Image Tool and it decreased with the cooling rate increased. The fractal dimension of the interfaces was calculated and it changes from 1.204310 to 1.517265 with the withdrawal rate ranging from 10 to 100 μm/s. The physical significance of the fractal dimension was analyzed by using fractal theory. It was found that the fractal dimension of the dendrites can be used to describe the solidification microstructure and parameters at low cooling rate, but both the fractal dimension and the dendrite arm spacing are needed in order to integrally describe the evaluation of the solidification microstructure completely.

  20. Modelling of the Kinetics of Sulfure Compounds in Desulfurisation Processes Based on Industry Data of Plant

    OpenAIRE

    Krivtsova, Nadezhda Igorevna; Tataurshikov, A.; Kotkova, Elena

    2016-01-01

    Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.

  1. Relations between the kinetic equation and the Langevin models in two-phase flow modelling

    International Nuclear Information System (INIS)

    Minier, J.P.; Pozorski, J.

    1997-05-01

    The purpose of this paper is to discuss PDF and stochastic models which are used in two-phase flow modelling. The aim of the present analysis is essentially to try to determine relations and consistency between different models. It is first recalled that different approaches actually correspond to PDF models written either in terms of the process trajectories or in terms of the PDF itself. The main difference lies in the choice of the independent variables which are retained. Two particular models are studied, the Kinetic Equation and the Langevin Equation model. The latter uses a Langevin equation to model the fluid velocities seen along particle trajectories. The Langevin model is more general since it contains an additional variable. It is shown that, in certain cases, this variable can be summed up exactly to retrieve the Kinetic Equation model as a marginal PDF. A joint fluid and solid particle PDF which includes the characteristics of both phases is proposed at the end of the paper. (author)

  2. Cadarache LOR (liquides organiques radioactifs) treatment by a solidification process using NOCHAR polymers

    International Nuclear Information System (INIS)

    Vaudey, Claire-Emilie; Renou, Sebastien; Kelley, Dennis; Cochaud, Chantal; Serrano, Roger

    2013-01-01

    In France, two options can be considered to handle the Very Low Level Waste (VLLW) and the Low Level Waste (LLW). The first one is the incineration at CENTRACO facility and the second one is the disposal at ANDRA sites. The waste acceptance in these two channels is dependent upon the adequacy between the waste characteristics (physical chemistry and radiological) and the channel specifications. If the waste characteristics and the channel specifications (presence of significant quantities of halogens, complexing agents, organic components... or/and high activity limits) are incompatible, an alternative solution have to be identify. It consists of a waste pre-treatment process. For Cadarache LOR (Liquides Organiques Radioactifs) waste streams, two radioactive scintillation cocktails have to be treated. They are composed of a mix of organic liquids and water: for the first one, 19 % of organic compounds (xylene, mesitylene, diphenyloxazole, TBP...) and 86.9 % of water, and for the second one, 23 % of organic compounds (TBP...) and 77 % of water. They contain halogens (chlorine and fluorine), complexants agents (nitrate, sulphate, oxalate and formate) and have got αβγ spectra with mass activities equal to some 100 Bq/g. Therefore, tritium is also present. As a consequence, in order for storage acceptance at the ANDRA site, it is necessary to pre-treat the waste. An adequate solution seems to be a solidification process using NOCHAR polymers. Indeed, NOCHAR polymers correspond to an important variety of products applied to the treatment of radioactive aqueous and organic liquids (solvent, oil, solvent/oil mixing ...) and sludge through a mechanical and chemical solidification process. For Cadarache LOR, N910 and N960 respectively dedicated to the organic and aqueous liquids solidification are considered. With the N910, the organic waste solidification occurs in two steps. As the organic liquid travels moves through the polymer strands, the strands swell and

  3. Influences on Distribution of Solute Atoms in Cu-8Fe Alloy Solidification Process Under Rotating Magnetic Field

    Science.gov (United States)

    Zou, Jin; Zhai, Qi-Jie; Liu, Fang-Yu; Liu, Ke-Ming; Lu, De-Ping

    2018-05-01

    A rotating magnetic field (RMF) was applied in the solidification process of Cu-8Fe alloy. Focus on the mechanism of RMF on the solid solution Fe(Cu) atoms in Cu-8Fe alloy, the influences of RMF on solidification structure, solute distribution, and material properties were discussed. Results show that the solidification behavior of Cu-Fe alloy have influenced through the change of temperature and solute fields in the presence of an applied RMF. The Fe dendrites were refined and transformed to rosettes or spherical grains under forced convection. The solute distribution in Cu-rich phase and Fe-rich phase were changed because of the variation of the supercooling degree and the solidification rate. Further, the variation in solute distribution was impacted the strengthening mechanism and conductive mechanism of the material.

  4. A MODEL FOR POSTRADIATION STEM CELL KINETICS,

    Science.gov (United States)

    In polycythemic rats observed for 17 days postradiation (300 R, 250 KVP X-rays) it was noted that stem cell release diminished to 8 percent of the...correlate these findings with a kinetic model of erythropoiesis. It was suggested that the initial depression in stem cell release might be due to cellular

  5. Disposition of smoked cannabis with high [Delta]9-tetrahydrocannabinol content: A kinetic model.

    NARCIS (Netherlands)

    Hunault, C.C.; van Eijkeren, J.C.; Mensinga, T.T.; de Vries, I.; Leenders, M.E.C.; Meulenbelt, J.

    2010-01-01

    Introduction No model exists to describe the disposition and kinetics of inhaled cannabis containing a high THC dose. We aimed to develop a kinetic model providing estimates of the THC serum concentrations after smoking cannabis cigarettes containing high THC doses (up to 69 mg THC).Methods

  6. Extracting surface diffusion coefficients from batch adsorption measurement data: application of the classic Langmuir kinetics model.

    Science.gov (United States)

    Chu, Khim Hoong

    2017-11-09

    Surface diffusion coefficients may be estimated by fitting solutions of a diffusion model to batch kinetic data. For non-linear systems, a numerical solution of the diffusion model's governing equations is generally required. We report here the application of the classic Langmuir kinetics model to extract surface diffusion coefficients from batch kinetic data. The use of the Langmuir kinetics model in lieu of the conventional surface diffusion model allows derivation of an analytical expression. The parameter estimation procedure requires determining the Langmuir rate coefficient from which the pertinent surface diffusion coefficient is calculated. Surface diffusion coefficients within the 10 -9 to 10 -6  cm 2 /s range obtained by fitting the Langmuir kinetics model to experimental kinetic data taken from the literature are found to be consistent with the corresponding values obtained from the traditional surface diffusion model. The virtue of this simplified parameter estimation method is that it reduces the computational complexity as the analytical expression involves only an algebraic equation in closed form which is easily evaluated by spreadsheet computation.

  7. Colloidal nanoparticle size control: experimental and kinetic modeling investigation of the ligand-metal binding role in controlling the nucleation and growth kinetics.

    Science.gov (United States)

    Mozaffari, Saeed; Li, Wenhui; Thompson, Coogan; Ivanov, Sergei; Seifert, Soenke; Lee, Byeongdu; Kovarik, Libor; Karim, Ayman M

    2017-09-21

    Despite the major advancements in colloidal metal nanoparticles synthesis, a quantitative mechanistic treatment of the ligand's role in controlling their size remains elusive. We report a methodology that combines in situ small angle X-ray scattering (SAXS) and kinetic modeling to quantitatively capture the role of ligand-metal binding (with the metal precursor and the nanoparticle surface) in controlling the synthesis kinetics. We demonstrate that accurate extraction of the kinetic rate constants requires using both, the size and number of particles obtained from in situ SAXS to decouple the contributions of particle nucleation and growth to the total metal reduction. Using Pd acetate and trioctylphosphine in different solvents, our results reveal that the binding of ligands with both the metal precursor and nanoparticle surface play a key role in controlling the rates of nucleation and growth and consequently the final size. We show that the solvent can affect the metal-ligand binding and consequently ligand coverage on the nanoparticles surface which has a strong effect on the growth rate and final size (1.4 nm in toluene and 4.3 nm in pyridine). The proposed kinetic model quantitatively predicts the effects of varying the metal concentration and ligand/metal ratio on nanoparticle size for our work and literature reports. More importantly, we demonstrate that the final size is exclusively determined by the nucleation and growth kinetics at early times and not how they change with time. Specifically, the nanoparticle size in this work and many literature reports can be predicted using a single, model independent kinetic descriptor, (growth-to-nucleation rate ratio) 1/3 , despite the different metals and synthetic conditions. The proposed model and kinetic descriptor could serve as powerful tools for the design of colloidal nanoparticles with specific sizes.

  8. Modelling of the Kinetics of Sulfure Compounds in Desulfurisation Processes Based on Industry Data of Plant

    Directory of Open Access Journals (Sweden)

    Krivtcova Nadezhda

    2016-01-01

    Full Text Available Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.

  9. A Numerical Procedure for Model Identifiability Analysis Applied to Enzyme Kinetics

    DEFF Research Database (Denmark)

    Daele, Timothy, Van; Van Hoey, Stijn; Gernaey, Krist

    2015-01-01

    The proper calibration of models describing enzyme kinetics can be quite challenging. In the literature, different procedures are available to calibrate these enzymatic models in an efficient way. However, in most cases the model structure is already decided on prior to the actual calibration...... and Pronzato (1997) and which can be easily set up for any type of model. In this paper the proposed approach is applied to the forward reaction rate of the enzyme kinetics proposed by Shin and Kim(1998). Structural identifiability analysis showed that no local structural model problems were occurring......) identifiability problems. By using the presented approach it is possible to detect potential identifiability problems and avoid pointless calibration (and experimental!) effort....

  10. Glass-solidification method for high level radioactive liquid waste

    International Nuclear Information System (INIS)

    Kawamura, Kazuhiro; Kometani, Masayuki; Sasage, Ken-ichi.

    1996-01-01

    High level liquid wastes are removed with precipitates mainly comprising Mo and Zr, thereafter, the high level liquid wastes are mixed with a glass raw material comprising a composition having a B 2 O 3 /SiO 2 ratio of not less than 0.41, a ZnO/Li 2 O ratio of not less than 1.00, and an Al 2 O 3 /Li 2 O ratio of not less than 2.58, and they are melted and solidified into glass-solidification products. The liquid waste content in the glass-solidification products can be increased up to about 45% by using the glass raw material having such a predetermined composition. In addition, deposition of a yellow phase does not occur, and a leaching rate identical with that in a conventional case can be maintained. (T.M.)

  11. Kinetic model for an up-flow anaerobic packed bed bioreactor: Dairy ...

    African Journals Online (AJOL)

    Kinetic studies of anaerobic digestion process of cheese whey were conducted in a pilot-scale up-flow anaerobic packed bed bioreactor (UAPB). An influent COD concentration of 59419 mg/l was utilized at steady state condition. Logistic and Monod kinetic models were employed to describe microbial activities of cheese ...

  12. Solidification of the polyester coatings with accelerated electron beam in air

    International Nuclear Information System (INIS)

    Braginskaya, A.E.; Duvakina, N.I.; Kontorov, D.S.; Kuznetsova, L.I.; Kuz'min, A.A.; Nikolaev, A.F.

    1976-01-01

    A study has been made to find lacquer-paint compositions which are able to solidify in the air under the action of the electron beam with formation of beautiful, glistening and firm coating on wood. As objects under study compositions on the basis of oligoethercrylates, vinyl-series monomers, non-saturated polyether resins of industrial makes and newly created polymer compositions have been used. Styrol, methylmethacrylate, dimethylacryl triglicol ether (TGM-3), α,w-dimethacrylbis (diglicol) phthalate (MDF) have been used as monomers. Solidification of lacquer-paint coatings by the electron beam has been made under the electron energy of 250-400 keV and the current density of 10-120 μA/cm 2 . Solidification of lacquers has been performed at the room temperature. The effect of reactive additives, of the nature of the monomer and the polyether on the radiational solidification process have been studied. As a result of these studies polyether compositions have been developed, which are able to solidify in the air under the action of electrons at the room temperature for a short time with formation of the glistening firm surface; these compositions can be used to obtain coatings on wood, paper, metal and other substrates

  13. Two-dimensional time-resolved X-ray diffraction study of directional solidification in steels

    International Nuclear Information System (INIS)

    Yonemura, Mitsuharu

    2009-01-01

    Full text: The high intensity heat source used for fusion welding creates steep thermal gradients of 100 degree C/s from 1800 degree Celsius. Further, the influence of a preferred orientation is serious for observation of a directional solidification that follows the dendrite growth along the direction toward the moving heat source. Therefore, we observed the rapid solidification of weld metal at a time resolution of 0.01∼0.1seconds by the Two-Dimensional Time-Resolved X-ray Diffraction (2DTRXRD) system for real welding. The diffraction ring was dynamically observed by 2DTRXRD during arc-passing over the irradiation area of X-ray with synchrotron energy of 18 KeV. The arc power output was 10 V - 150 A, and a scan speed of the arc was 1.0 mm/s. The temperature rise of instruments was suppressed by the water-cooled copper plate under the sample. Further, the temperature distribution of the weld metal was measured by the thermocouple and related to the diffraction patterns. Consequently, solidification and solid phase transformation of low carbon steels and stainless steels were observed during rapid cooling by 2DTRXRD. In the low-carbon steel, the microstructure is formed in the 2 step process; (i) formation of crystallites and (ii) increase of crystallinity. In the stainless steel, the irregular interface layer of σ/y in the quenched metal after solidification is expected that it is easy for dendrites to move at the lower temperature. In the carbide precipitation stainless steel, it is easy for NbC to grow on σ phase with a little under cooling. Further, a mist-like pattern, which differs from the halo-pattern, in the fusion zone gave some indication of the possibilities to observe the nucleation and the early solidification by 2DTRXRD. (author)

  14. Solidification of salt solutions on a horizontal surface

    International Nuclear Information System (INIS)

    Braga, S.L.; Viskanta, R.

    1990-01-01

    The freezing of water-salt solutions on a horizontal wall is investigated experimentally and theoretically. The growth of the solid-liquid region is observed for NaCl - H sub(2)O and N H sub(4)Cl - H sub(2)O systems under different temperature and concentration conditions. A unidirectional mathematical model is used to predict the solidification process. The transport of heat is by diffusion, and convection is absent. The mass diffusion is neglected and the growth of crystal is governed by the transport of heat. In all experiments, the solution salt concentration is smaller than the eutectic composition, and the wall temperature is higher than the eutectic temperature. The predicted temperature and salt concentration profiles, as well as the interface position, are compared with experimental data. (author)

  15. Modeling texture kinetics during thermal processing of potato products.

    Science.gov (United States)

    Moyano, P C; Troncoso, E; Pedreschi, F

    2007-03-01

    A kinetic model based on 2 irreversible serial chemical reactions has been proposed to fit experimental data of texture changes during thermal processing of potato products. The model links dimensionless maximum force F*(MAX) with processing time. Experimental texture changes were obtained during frying of French fries and potato chips at different temperatures, while literature data for blanching/cooking of potato cubes have been considered. A satisfactory agreement between experimental and predicted values was observed, with root mean square values (RMSs) in the range of 4.7% to 16.4% for French fries and 16.7% to 29.3% for potato chips. In the case of blanching/cooking, the proposed model gave RMSs in the range of 1.2% to 17.6%, much better than the 6.2% to 44.0% obtained with the traditional 1st-order kinetics. The model is able to predict likewise the transition from softening to hardening of the tissue during frying.

  16. Kinetic Models for Topological Nearest-Neighbor Interactions

    Science.gov (United States)

    Blanchet, Adrien; Degond, Pierre

    2017-12-01

    We consider systems of agents interacting through topological interactions. These have been shown to play an important part in animal and human behavior. Precisely, the system consists of a finite number of particles characterized by their positions and velocities. At random times a randomly chosen particle, the follower, adopts the velocity of its closest neighbor, the leader. We study the limit of a system size going to infinity and, under the assumption of propagation of chaos, show that the limit kinetic equation is a non-standard spatial diffusion equation for the particle distribution function. We also study the case wherein the particles interact with their K closest neighbors and show that the corresponding kinetic equation is the same. Finally, we prove that these models can be seen as a singular limit of the smooth rank-based model previously studied in Blanchet and Degond (J Stat Phys 163:41-60, 2016). The proofs are based on a combinatorial interpretation of the rank as well as some concentration of measure arguments.

  17. MATHEMATICAL MODELING OF ORANGE SEED DRYING KINETICS

    Directory of Open Access Journals (Sweden)

    Daniele Penteado Rosa

    2015-06-01

    Full Text Available Drying of orange seeds representing waste products from juice processing was studied in the temperatures of 40, 50, 60 and 70 °C and drying velocities of 0.6, 1.0 and 1.4 m/s. Experimental drying kinetics of orange seeds were obtained using a convective air forced dryer. Three thin-layer models: Page model, Lewis model, and the Henderson-Pabis model and the diffusive model were used to predict the drying curves. The Henderson-Pabis and the diffusive models show the best fitting performance and statistical evaluations. Moreover, the temperature dependence on the effective diffusivity followed an Arrhenius relationship, and the activation energies ranging from 16.174 to 16.842 kJ/mol

  18. Physical characterization and kinetic modelling of matrix tablets of ...

    African Journals Online (AJOL)

    release mechanisms were characterized by kinetic modeling. Analytical ... findings demonstrate that both the desired physical characteristics and drug release profiles were obtained ..... on the compression, mechanical, and release properties.

  19. Immobilisation of heavy metal in cement-based solidification/stabilisation: A review

    International Nuclear Information System (INIS)

    Chen, Q.Y.; Tyrer, M.; Hills, C.D.; Yang, X.M.; Carey, P.

    2009-01-01

    Heavy metal-bearing waste usually needs solidification/stabilization (s/s) prior to landfill to lower the leaching rate. Cement is the most adaptable binder currently available for the immobilisation of heavy metals. The selection of cements and operating parameters depends upon an understanding of chemistry of the system. This paper discusses interactions of heavy metals and cement phases in the solidification/stabilisation process. It provides a clarification of heavy metal effects on cement hydration. According to the decomposition rate of minerals, heavy metals accelerate the hydration of tricalcium silicate (C 3 S) and Portland cement, although they retard the precipitation of portlandite due to the reduction of pH resulted from hydrolyses of heavy metal ions. The chemical mechanism relevant to the accelerating effect of heavy metals is considered to be H + attacks on cement phases and the precipitation of calcium heavy metal double hydroxides, which consumes calcium ions and then promotes the decomposition of C 3 S. In this work, molecular models of calcium silicate hydrate gel are presented based on the examination of 29 Si solid-state magic angle spinning/nuclear magnetic resonance (MAS/NMR). This paper also reviews immobilisation mechanisms of heavy metals in hydrated cement matrices, focusing on the sorption, precipitation and chemical incorporation of cement hydration products. It is concluded that further research on the phase development during cement hydration in the presence of heavy metals and thermodynamic modelling is needed to improve effectiveness of cement-based s/s and extend this waste management technique

  20. Utilization of air pollution control residues for the stabilization/solidification of trace element contaminated soil.

    Science.gov (United States)

    Travar, I; Kihl, A; Kumpiene, J

    2015-12-01

    The aim of this study was to evaluate the stabilization/solidification (S/S) of trace element-contaminated soil using air pollution control residues (APCRs) prior to disposal in landfill sites. Two soil samples (with low and moderate concentrations of organic matter) were stabilized using three APCRs that originated from the incineration of municipal solid waste, bio-fuels and a mixture of coal and crushed olive kernels. Two APCR/soil mixtures were tested: 30% APCR/70% soil and 50% APCR/50% soil. A batch leaching test was used to study immobilization of As and co-occurring metals Cr, Cu, Pb and Zn. Solidification was evaluated by measuring the unconfined compression strength (UCS). Leaching of As was reduced by 39-93% in APCR/soil mixtures and decreased with increased amounts of added APCR. Immobilization of As positively correlated with the amount of Ca in the APCR and negatively with the amount of soil organic matter. According to geochemical modelling, the precipitation of calcium arsenate (Ca3(AsO4)2/4H2O) and incorporation of As in ettringite (Ca6Al2(SO4)3(OH)12 · 26H2O) in soil/APCR mixtures might explain the reduced leaching of As. A negative effect of the treatment was an increased leaching of Cu, Cr and dissolved organic carbon. Solidification of APCR/soil was considerably weakened by soil organic matter.