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Sample records for grain growth model

  1. Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems

    International Nuclear Information System (INIS)

    Svoboda, J; Fischer, F D

    2014-01-01

    Abnormal grain growth as the abrupt growth of a group of the largest grains in a multi-grain system is treated within the context of unequal retardation of grain growth due to the segregation of solute atoms from the bulk of the grains into the grain boundaries. During grain boundary migration, the segregated solute atoms are dragged under a small driving force or left behind the migrating grain boundary under a large driving force. Thus, the solute atoms in the grain boundaries of large grains, exhibiting a large driving force, can be released from the grain boundary. The mobility of these grain boundaries becomes significantly higher and abnormal grain growth is spontaneously provoked. The mean-field model presented here assumes that each grain is described by its grain radius and by its individual segregation parameter. The thermodynamic extremal principle is engaged to obtain explicit evolution equations for the radius and segregation parameter of each grain. Simulations of grain growth kinetics for various conditions of segregation with the same initial setting (100 000 grains with a given radius distribution) are presented. Depending on the diffusion coefficients of the solute in the grain boundaries, abnormal grain growth may be strongly or marginally pronounced. Solute segregation and drag can also significantly contribute to the stabilization of the grain structure. Qualitative agreement with several experimental results is reported. (paper)

  2. A grain-boundary diffusion model of dynamic grain growth during superplastic deformation

    International Nuclear Information System (INIS)

    Kim, Byung-Nam; Hiraga, Keijiro; Sakka, Yoshio; Ahn, Byung-Wook

    1999-01-01

    Dynamic grain growth during superplastic deformation is modelled on the basis of a grain-boundary diffusion mechanism. On the grain boundary where a static and a dynamic potential difference coexist, matter transport along the boundary is assumed to contribute to dynamic grain growth through depositing the matter on the grain surface located opposite to the direction of grain-boundary migration. The amount of the diffusive matter during deformation is calculated for an aggregate of spherical grains and is converted to the increment of mean boundary migration velocity. The obtained relationship between the strain rate and the dynamic grain growth rate is shown to be independent of deformation mechanisms, provided that the grain growth is controlled by grain-boundary diffusion. The strain dependence, strain-rate dependence and temperature dependence of grain growth predicted from this model are consistent with those observed in superplastic ZrO 2 -dispersed Al 2 O 3

  3. Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Fischer, F. D.

    2014-01-01

    Roč. 22, č. 1 (2014), Art . No. 015013 ISSN 0965-0393 Institutional support: RVO:68081723 Keywords : grain boundary segregation * abnormal grain growth * theory * modelling * solute drag Subject RIV: BJ - Thermodynamics Impact factor: 2.167, year: 2014

  4. Modelling grain growth in the framework of Rational Extended Thermodynamics

    International Nuclear Information System (INIS)

    Kertsch, Lukas; Helm, Dirk

    2016-01-01

    Grain growth is a significant phenomenon for the thermomechanical processing of metals. Since the mobility of the grain boundaries is thermally activated and energy stored in the grain boundaries is released during their motion, a mutual interaction with the process conditions occurs. To model such phenomena, a thermodynamic framework for the representation of thermomechanical coupling phenomena in metals including a microstructure description is required. For this purpose, Rational Extended Thermodynamics appears to be a useful tool. We apply an entropy principle to derive a thermodynamically consistent model for grain coarsening due to the growth and shrinkage of individual grains. Despite the rather different approaches applied, we obtain a grain growth model which is similar to existing ones and can be regarded as a thermodynamic extension of that by Hillert (1965) to more general systems. To demonstrate the applicability of the model, we compare our simulation results to grain growth experiments in pure copper by different authors, which we are able to reproduce very accurately. Finally, we study the implications of the energy release due to grain growth on the energy balance. The present unified approach combining a microstructure description and continuum mechanics is ready to be further used to develop more elaborate material models for complex thermo-chemo-mechanical coupling phenomena. (paper)

  5. Modelling grain growth in the framework of Rational Extended Thermodynamics

    Science.gov (United States)

    Kertsch, Lukas; Helm, Dirk

    2016-05-01

    Grain growth is a significant phenomenon for the thermomechanical processing of metals. Since the mobility of the grain boundaries is thermally activated and energy stored in the grain boundaries is released during their motion, a mutual interaction with the process conditions occurs. To model such phenomena, a thermodynamic framework for the representation of thermomechanical coupling phenomena in metals including a microstructure description is required. For this purpose, Rational Extended Thermodynamics appears to be a useful tool. We apply an entropy principle to derive a thermodynamically consistent model for grain coarsening due to the growth and shrinkage of individual grains. Despite the rather different approaches applied, we obtain a grain growth model which is similar to existing ones and can be regarded as a thermodynamic extension of that by Hillert (1965) to more general systems. To demonstrate the applicability of the model, we compare our simulation results to grain growth experiments in pure copper by different authors, which we are able to reproduce very accurately. Finally, we study the implications of the energy release due to grain growth on the energy balance. The present unified approach combining a microstructure description and continuum mechanics is ready to be further used to develop more elaborate material models for complex thermo-chemo-mechanical coupling phenomena.

  6. A grain boundary sliding model for cavitation, crack growth and ...

    African Journals Online (AJOL)

    A model is presented for cavity growth, crack propagation and fracture resulting from grain boundary sliding (GBS) during high temperature creep deformation. The theory of cavity growth by GBS was based on energy balance criteria on the assumption that the matrix is sufficiently plastic to accommodate misfit strains ...

  7. Advection-diffusion model for normal grain growth and the stagnation of normal grain growth in thin films

    International Nuclear Information System (INIS)

    Lou, C.

    2002-01-01

    An advection-diffusion model has been set up to describe normal grain growth. In this model grains are divided into different groups according to their topological classes (number of sides of a grain). Topological transformations are modelled by advective and diffusive flows governed by advective and diffusive coefficients respectively, which are assumed to be proportional to topological classes. The ordinary differential equations governing self-similar time-independent grain size distribution can be derived analytically from continuity equations. It is proved that the time-independent distributions obtained by solving the ordinary differential equations have the same form as the time-dependent distributions obtained by solving the continuity equations. The advection-diffusion model is extended to describe the stagnation of normal grain growth in thin films. Grain boundary grooving prevents grain boundaries from moving, and the correlation between neighbouring grains accelerates the stagnation of normal grain growth. After introducing grain boundary grooving and the correlation between neighbouring grains into the model, the grain size distribution is close to a lognormal distribution, which is usually found in experiments. A vertex computer simulation of normal grain growth has also been carried out to make a cross comparison with the advection-diffusion model. The result from the simulation did not verify the assumption that the advective and diffusive coefficients are proportional to topological classes. Instead, we have observed that topological transformations usually occur on certain topological classes. This suggests that the advection-diffusion model can be improved by making a more realistic assumption on topological transformations. (author)

  8. Constitutive modeling of stress-driven grain growth in nanocrystalline metals

    KAUST Repository

    Gürses, Ercan

    2013-02-08

    In this work, we present a variational multiscale model for grain growth in face-centered cubic nanocrystalline (nc) metals. In particular, grain-growth-induced stress softening and the resulting relaxation phenomena are addressed. The behavior of the polycrystal is described by a conventional Taylor-type averaging scheme in which the grains are treated as two-phase composites consisting of a grain interior phase and a grain boundary-affected zone. Furthermore, a grain-growth law that captures the experimentally observed characteristics of the grain coarsening phenomena is proposed. To this end, the grain size is not taken as constant and varies according to the proposed stress-driven growth law. Several parametric studies are conducted to emphasize the influence of the grain-growth rule on the overall macroscopic response. Finally, the model is shown to provide a good description of the experimentally observed grain-growth-induced relaxation in nc-copper. © 2013 IOP Publishing Ltd.

  9. UO2 Grain Growth: Developing Phase Field Models for Pore Dragging, Solute Dragging and Anisotropic Grain Boundary Energies

    International Nuclear Information System (INIS)

    Ahmed, K.; Tonks, M.; Zhang, Y.; Biner, B.

    2016-01-01

    A detailed phase field model for the effect of pore drag on grain growth kinetics was implemented in MARMOT. The model takes into consideration both the curvature-driven grain boundary motion and pore migration by surface diffusion. As such, the model accounts for the interaction between pore and grain boundary kinetics, which tends to retard the grain growth process. Our 2D and 3D simulations demonstrate that the model capture all possible pore-grain boundary interactions proposed in theoretical models. For high enough surface mobility, the pores move along with the migrating boundary as a quasi-rigid-body, albeit hindering its migration rate compared to the pore-free case. For less mobile pores, the migrating boundary can separate from the pores. For the pore-controlled grain growth kinetics, the model predicts a strong dependence of the growth rate on the number of pores, pore size, and surface diffusivity in agreement with theroretical models. An evolution equation for the grain size that includes these parameters was derived and showed to agree well with numerical solution. It shows a smooth transition from boundary-controlled kinetics to pore-controlled kinetics as the surface diffusivity decreases or the number of pores or their size increases. This equation can be utilized in BISON to give accurate estimate for the grain size evolution. This will be accomplished in the near future. The effect of solute drag and anisotropy of grain boundary on grain growth will be investigated in future studies.

  10. Anisotropic atomic packing model for abnormal grain growth mechanism of WC-25 wt.% Co alloy

    International Nuclear Information System (INIS)

    Ryoo, H.S.; Hwang, S.K.

    1998-01-01

    During liquid phase sintering, cemented carbide particles grow into either faceted or non-faceted grain shapes depending on ally system. In case of WC-Co alloy, prism-shape faceted grains with (0001) planes and {1 bar 100} planes on each face are observed, and furthermore an abnormal grain growth has been reported to occur. When abnormal grain growth occurs in WC crystals, dimension ratio, R, of the length of the side of the triangular prism face to the height of the prism is higher than 4 whereas that for normal grains is approximately 2. Abnormal grain growth in this alloy is accelerated by the fineness of starting powders and by high sintering temperature. To account for the mechanism of the abnormal grain growth, there are two proposed models which drew much research attention: nucleation and subsequent carburization and transformation of η (W 3 Co 3 C) phase into WC, and coalescence of coarse WC grains through dissolution and re-precipitation. Park et al. proposed a two-dimensional nucleation theory to explain the abnormal grain growth of faceted grains. There are questions, however, on the role of η phase on abnormal grain growth. The mechanism of coalescence of spherical grains as proposed by Kingery is also unsuitable for faceted grains. So far theories on abnormal grain growth do not provide a satisfactory explanation on the change of R value during the growth process. In the present work a new mechanism of nucleation and growth of faceted WC grains is proposed on the ground of anisotropic packing sequence of each atom

  11. Constitutive modeling of stress-driven grain growth in nanocrystalline metals

    KAUST Repository

    Gü rses, Ercan; Wafai, Husam; El Sayed, Tamer S.

    2013-01-01

    the influence of the grain-growth rule on the overall macroscopic response. Finally, the model is shown to provide a good description of the experimentally observed grain-growth-induced relaxation in nc-copper. © 2013 IOP Publishing Ltd.

  12. Statistical mechanics of normal grain growth in one dimension: A partial integro-differential equation model

    International Nuclear Information System (INIS)

    Ng, Felix S.L.

    2016-01-01

    We develop a statistical-mechanical model of one-dimensional normal grain growth that does not require any drift-velocity parameterization for grain size, such as used in the continuity equation of traditional mean-field theories. The model tracks the population by considering grain sizes in neighbour pairs; the probability of a pair having neighbours of certain sizes is determined by the size-frequency distribution of all pairs. Accordingly, the evolution obeys a partial integro-differential equation (PIDE) over ‘grain size versus neighbour grain size’ space, so that the grain-size distribution is a projection of the PIDE's solution. This model, which is applicable before as well as after statistically self-similar grain growth has been reached, shows that the traditional continuity equation is invalid outside this state. During statistically self-similar growth, the PIDE correctly predicts the coarsening rate, invariant grain-size distribution and spatial grain size correlations observed in direct simulations. The PIDE is then reducible to the standard continuity equation, and we derive an explicit expression for the drift velocity. It should be possible to formulate similar parameterization-free models of normal grain growth in two and three dimensions.

  13. Theory and modeling of microstructural evolution in polycrystalline materials: Solute segregation, grain growth and phase transformations

    Science.gov (United States)

    Ma, Ning

    2005-11-01

    To accurately predict microstructure evolution and, hence, to synthesis metal and ceramic alloys with desirable properties involves many fundamental as well as practical issues. In the present study, novel theoretical and phase field approaches have been developed to address some of these issues including solute drag and segregation transition at grain boundaries and dislocations, grain growth in systems of anisotropic boundary properties, and precipitate microstructure development in polycrystalline materials. The segregation model has allowed for the prediction of a first-order segregation transition, which could be related to the sharp transition of solute concentration of grain boundary as a function of temperature. The incorporating of interfacial energy and mobility as functions of misorientation and inclination in the phase field model has allowed for the study of concurrent grain growth and texture evolution. The simulation results were analyzed using the concept of local grain boundary energy density, which simplified significantly the development of governing equations for texture controlled grain growth in Ti-6Al-4V. Quantitative phase field modeling techniques have been developed by incorporating thermodynamic and diffusivity databases. The models have been validated against DICTRA simulations in simple 1D problems and applied to simulate realistic microstructural evolutions in Ti-6Al-4V, including grain boundary a and globular a growth and sideplate development under both isothermal aging and continuous cooling conditions. The simulation predictions agree well with experimental observations.

  14. A Model of Silicate Grain Nucleation and Growth in Circumstellar Outflows

    Science.gov (United States)

    Paquette, John A.; Ferguson, Frank T.; Nuth, Joseph A., III

    2011-01-01

    Based on its abundance, high bond energy, and recent measurements of its vapor pressure SiO is a natural candidate for dust nucleation in circumstellar outflows around asymptotic giant branch stars. In this paper, we describe a model of the nucleation and growth of silicate dust in such outflows. The sensitivity of the model to varying choices of poorly constrained chemical parameters is explored, and the merits of using scaled rather than classical nucleation theory are briefly considered, An elaboration of the model that includes magnesium and iron as growth species is then presented and discussed. The composition of the bulk of the grains derived from the model is consistent with olivines and pyroxenes, but somewhat metal-rich grains and very small, nearly pure SiO grains are also produced,

  15. Grain nucleation and growth during phase transformations

    DEFF Research Database (Denmark)

    Offerman, S.E.; Dijk, N.H. van; Sietsma, J.

    2002-01-01

    of individual grains. Our measurements show that the activation energy for grain nucleation is at least two orders of magnitude smaller than that predicted by thermodynamic models. The observed growth curves of the newly formed grains confirm the parabolic growth model but also show three fundamentally...... different types of growth. Insight into the grain nucleation and growth mechanisms during phase transformations contributes to the development of materials with optimal mechanical properties....

  16. A parallelized three-dimensional cellular automaton model for grain growth during additive manufacturing

    Science.gov (United States)

    Lian, Yanping; Lin, Stephen; Yan, Wentao; Liu, Wing Kam; Wagner, Gregory J.

    2018-01-01

    In this paper, a parallelized 3D cellular automaton computational model is developed to predict grain morphology for solidification of metal during the additive manufacturing process. Solidification phenomena are characterized by highly localized events, such as the nucleation and growth of multiple grains. As a result, parallelization requires careful treatment of load balancing between processors as well as interprocess communication in order to maintain a high parallel efficiency. We give a detailed summary of the formulation of the model, as well as a description of the communication strategies implemented to ensure parallel efficiency. Scaling tests on a representative problem with about half a billion cells demonstrate parallel efficiency of more than 80% on 8 processors and around 50% on 64; loss of efficiency is attributable to load imbalance due to near-surface grain nucleation in this test problem. The model is further demonstrated through an additive manufacturing simulation with resulting grain structures showing reasonable agreement with those observed in experiments.

  17. A parallelized three-dimensional cellular automaton model for grain growth during additive manufacturing

    Science.gov (United States)

    Lian, Yanping; Lin, Stephen; Yan, Wentao; Liu, Wing Kam; Wagner, Gregory J.

    2018-05-01

    In this paper, a parallelized 3D cellular automaton computational model is developed to predict grain morphology for solidification of metal during the additive manufacturing process. Solidification phenomena are characterized by highly localized events, such as the nucleation and growth of multiple grains. As a result, parallelization requires careful treatment of load balancing between processors as well as interprocess communication in order to maintain a high parallel efficiency. We give a detailed summary of the formulation of the model, as well as a description of the communication strategies implemented to ensure parallel efficiency. Scaling tests on a representative problem with about half a billion cells demonstrate parallel efficiency of more than 80% on 8 processors and around 50% on 64; loss of efficiency is attributable to load imbalance due to near-surface grain nucleation in this test problem. The model is further demonstrated through an additive manufacturing simulation with resulting grain structures showing reasonable agreement with those observed in experiments.

  18. Front tracking based modeling of the solid grain growth on the adaptive control volume grid

    Science.gov (United States)

    Seredyński, Mirosław; Łapka, Piotr

    2017-07-01

    The paper presents the micro-scale model of unconstrained solidification of the grain immersed in under-cooled liquid, based on the front tracking approach. For this length scale, the interface tracked through the domain is meant as the solid-liquid boundary. To prevent generation of huge meshes the energy transport equation is discretized on the adaptive control volume (c.v.) mesh. The coupling of dynamically changing mesh and moving front position is addressed. Preliminary results of simulation of a test case, the growth of single grain, are presented and discussed.

  19. Computer simulation of grain growth in HAZ

    Science.gov (United States)

    Gao, Jinhua

    Two different models for Monte Carlo simulation of normal grain growth in metals and alloys were developed. Each simulation model was based on a different approach to couple the Monte Carlo simulation time to real time-temperature. These models demonstrated the applicability of Monte Carlo simulation to grain growth in materials processing. A grain boundary migration (GBM) model coupled the Monte Carlo simulation to a first principle grain boundary migration model. The simulation results, by applying this model to isothermal grain growth in zone-refined tin, showed good agreement with experimental results. An experimental data based (EDB) model coupled the Monte Carlo simulation with grain growth kinetics obtained from the experiment. The results of the application of the EDB model to the grain growth during continuous heating of a beta titanium alloy correlated well with experimental data. In order to acquire the grain growth kinetics from the experiment, a new mathematical method was developed and utilized to analyze the experimental data on isothermal grain growth. Grain growth in the HAZ of 0.2% Cu-Al alloy was successfully simulated using the EDB model combined with grain growth kinetics obtained from the experiment and measured thermal cycles from the welding process. The simulated grain size distribution in the HAZ was in good agreement with experimental results. The pinning effect of second phase particles on grain growth was also simulated in this work. The simulation results confirmed that by introducing the variable R, degree of contact between grain boundaries and second phase particles, the Zener pinning model can be modified as${D/ r} = {K/{Rf}}$where D is the pinned grain size, r the mean size of second phase particles, K a constant, f the area fraction (or the volume fraction in 3-D) of second phase.

  20. Grain growth in UO2

    International Nuclear Information System (INIS)

    Hastings, I.J.; Scoberg, J.A.; Walden, W.

    1979-06-01

    Grain growth studies have been carried out on UO 2 to provide data for the fuel modelling program and to evaluate fuel fabricated in commissioning the Mixed Oxide Fuel Fabrication Laboratory at Chalk River Nuclear Laboratories. Fuel examined includes natural UO 2 commercially fabricated from ADU powder for CANDU reactors; natural UO 2 commercially fabricated from AU powder; natural UO 2 from ADU and AU powder, fabricated in the MOFFL; and commercially fabricated UO 2 enriched 1.7, 4.5, and 9.6 wt. percent U-235 in U. Samples were step-annealed in vacuo at 1870-2070 K for up to 32.5 h. All data fit a (grain size)sup(2.5) versus annealing time relationship. Apparent activation energy for grain growth, Q, depends on fuel type and varies from 150+-10 kJ/mol for early AU powder to 360+-10 kJ/mol for pellets from ADU fabricated in the MOFFL. Grain sizes calculated using the laboratory equation in a fuel performance code tend to be greater than those measured in irradiated natural fuel, suggesting irradiation-induced inhibition of grain growth. However, any inhibition is equivalent to that expected for a systematic 5 percent underpredicition in reactor power. (author)

  1. Modeling Nucleation and Grain Growth in the Solar Nebula: Initial Progress Report

    Science.gov (United States)

    Nuth, Joseph A.; Paquette, J. A.; Ferguson, F. T.

    2010-01-01

    The primitive solar nebula was a violent and chaotic environment where high energy collisions, lightning, shocks and magnetic re-connection events rapidly vaporized some fraction of nebular dust, melted larger particles while leaving the largest grains virtually undisturbed. At the same time, some tiny grains containing very easily disturbed noble gas signatures (e.g., small, pre-solar graphite or SiC particles) never experienced this violence, yet can be found directly adjacent to much larger meteoritic components (chondrules or CAIs) that did. Additional components in the matrix of the most primitive carbonaceous chondrites and in some chondritic porous interplanetary dust particles include tiny nebular condensates, aggregates of condensates and partially annealed aggregates. Grains formed in violent transient events in the solar nebula did not come to equilibrium with their surroundings. To understand the formation and textures of these materials as well as their nebular abundances we must rely on Nucleation Theory and kinetic models of grain growth, coagulation and annealing. Such models have been very uncertain in the past: we will discuss the steps we are taking to increase their reliability.

  2. Randomly grain growth in metallic materials

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez, A. [Instituto Politecnico Nacional, (SEPI-ESIME), Unidad Profesional Ticoman, Av. Ticoman 600, Del. G.A.M., C.P. 07340 Distrito Federal, Mexico (Mexico); Instituto Politecnico Nacional, (SEPI-ESIQIE), Unidad Profesional Zacatenco, Edif. 6 y Edif. Z planta baja C.P.07300, Distrito Federal, Mexico (Mexico)], E-mail: adaramil@yahoo.com.mx; Chavez, F. [Instituto Politecnico Nacional, (SEPI-ESIQIE), Unidad Profesional Zacatenco, Edif. 6 y Edif. Z planta baja C.P.07300, Distrito Federal, Mexico (Mexico); Demedices, L. [Instituto Politecnico Nacional, (SEPI-ESIME), Unidad Profesional Ticoman, Av. Ticoman 600, Del. G.A.M., C.P. 07340 Distrito Federal, Mexico (Mexico); Instituto Politecnico Nacional, (SEPI-ESIQIE), Unidad Profesional Zacatenco, Edif. 6 y Edif. Z planta baja C.P.07300, Distrito Federal, Mexico (Mexico); Cruz, A.; Macias, M. [Instituto Politecnico Nacional, (SEPI-ESIQIE), Unidad Profesional Zacatenco, Edif. 6 y Edif. Z planta baja C.P.07300, Distrito Federal, Mexico (Mexico)

    2009-10-30

    Computational modeling of grain structures is a very important topic in materials science. In this work, the development of the computational algorithms for a mathematical model to predict grain nucleation and grain growth is presented. The model place a number of nucleated points randomly in a liquid pool according with the solid and liquid fractions (X{sub sol} and X{sub liq}) of metal solute and the local temperature distribution (SS{sub I,J}). Then these points grows isotropically until obtain a grain structure with straight interfaces. Different grain morphologies such as columnar and equiaxed can be obtained as a function of the temperature distributions and growth directions.

  3. Randomly grain growth in metallic materials

    International Nuclear Information System (INIS)

    Ramirez, A.; Chavez, F.; Demedices, L.; Cruz, A.; Macias, M.

    2009-01-01

    Computational modeling of grain structures is a very important topic in materials science. In this work, the development of the computational algorithms for a mathematical model to predict grain nucleation and grain growth is presented. The model place a number of nucleated points randomly in a liquid pool according with the solid and liquid fractions (X sol and X liq ) of metal solute and the local temperature distribution (SS I,J ). Then these points grows isotropically until obtain a grain structure with straight interfaces. Different grain morphologies such as columnar and equiaxed can be obtained as a function of the temperature distributions and growth directions.

  4. Grain growth studies on nanocrystalline Ni powder

    International Nuclear Information System (INIS)

    Rane, G.K.; Welzel, U.; Mittemeijer, E.J.

    2012-01-01

    The microstructure of nanocrystalline Ni powder produced by ball-milling and its thermal stability were investigated by applying different methods of X-ray diffraction line-profile analysis: single-line analysis, whole powder-pattern modelling and the (modified) Warren–Averbach method were employed. The kinetics of grain growth were investigated by both ex-situ and in-situ X-ray diffraction measurements. With increasing milling time, the grain-size reduction is accompanied by a considerable narrowing of the size distribution and an increase in the microstrain. Upon annealing, initial, rapid grain growth occurs, accompanied by the (almost complete) annihilation of microstrain. For longer annealing times, the grain-growth kinetics depend on the initial microstructure: a smaller microstrain with a broad grain-size distribution leads to linear grain growth, followed by parabolic grain growth, whereas a larger microstrain with a narrow grain-size distribution leads to incessant linear grain growth. These effects have been shown to be incompatible with grain-boundary curvature driven growth. The observed kinetics are ascribed to the role of excess free volume at the grain boundaries of nanocrystalline material and the prevalence of an “abnormal grain-growth” mechanism.

  5. Computer simulation of 2D grain growth using a cellular automata model based on the lowest energy principle

    International Nuclear Information System (INIS)

    He Yizhu; Ding Hanlin; Liu Liufa; Shin, Keesam

    2006-01-01

    The morphology, topology and kinetics of normal grain growth in two-dimension were studied by computer simulation using a cellular automata (Canada) model based on the lowest energy principle. The thermodynamic energy that follows Maxwell-Boltzmann statistics has been introduced into this model for the calculation of energy change. The transition that can reduce the system energy to the lowest level is chosen to occur when there is more than one possible transition direction. The simulation results show that the kinetics of normal grain growth follows the Burke equation with the growth exponent m = 2. The analysis of topology further indicates that normal grain growth can be simulated fairly well by the present CA model. The vanishing of grains with different number of sides is discussed in the simulation

  6. A new treatment of transient grain growth

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Fratzl, P.; Zickler, G. A.; Fischer, F. D.

    2016-01-01

    Roč. 115, AUG (2016), s. 442-447 ISSN 1359-6454 R&D Projects: GA ČR(CZ) GA15-06390S Institutional support: RVO:68081723 Keywords : Grain size distribution * Grain growth * Growth kinetics * Thermodynamic modelling * Numerical solution of integro-differential equations Subject RIV: BJ - Thermodynamic s Impact factor: 5.301, year: 2016

  7. Stochastic modeling of columnar dendritic grain growth in weld pool of Al-Cu alloy

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Z.B.; Tian, N. [The State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin (China); Wei, Y.H. [College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing (China); The State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin (China); Zhan, X.H.

    2009-04-15

    A multi-scale model is used to simulate columnar dendritic growth in TIG (tungsten inert-gas) weld molten pool of Al-Cu alloy. The grain morphologies at the edge of the weld pool are studied. The simulated results indicate that the average primary dendrite spacing changes during the solidification process in the weld pool because of the complicated thermal field, solute diffusion field and competitive growth. And it is shown that the secondary dendrite arms grow insufficiently in the space between dendrite trunks if the primary dendrite spacing is small. And the phenomenon has been explained by analyzing the influence of the solute accumulation on the constitutional undercooling and undercooling gradient when there are two different opposite solute diffusion fields. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. A model for strain hardening, recovery, recrystallization and grain growth with applications to forming processes of nickel base alloys

    Energy Technology Data Exchange (ETDEWEB)

    Riedel, Hermann, E-mail: hermann.riedel@iwm.fraunhofer.de [Fraunhofer Institute for Materials Mechanics, Wöhlerstr. 11, 79108 Freiburg (Germany); Svoboda, Jiri, E-mail: svobj@ipm.cz [Institute of Physics of Materials, Academy of Science of the Czech Republic, Zizkova 22, Brno (Czech Republic)

    2016-05-17

    An ensemble of n spherical grains is considered, each of which is characterized by its radius r{sub i} and by a hardening variable a{sub i}. The hardening variable obeys a Chaboche-type evolution equation with dynamic and static recovery. The grain growth law includes the usual contribution of the grain boundary energy, a term for the stored energy associated with the hardening variable, and the Zener pinning force exerted by particles on the migrating grain boundaries. New grains develop by recrystallization in grains whose stored energy density exceeds a critical value. The growth or shrinkage of the particles, which restrain grain boundary migration, obeys a thermodynamic/kinetic evolution equation. This set of first order differential equations for r{sub i}, a{sub i} and the particle radius is integrated numerically. Fictitious model parameters for a virtual nickel base alloy are used to demonstrate the properties and capabilities of the model. For a real nickel alloy, model parameters are adjusted using measured stress-strain curves, as well as recrystallized volume fractions and grain size distributions. Finally the model with adjusted parameters is applied to a forming process with complex temperature-strain rate histories.

  9. Stochastic theory of grain growth

    International Nuclear Information System (INIS)

    Hu Haiyun; Xing Xiusan.

    1990-11-01

    The purpose of this note is to set up a stochastic theory of grain growth and to derive the statistical distribution function and the average value of the grain radius so as to match them with the experiment further. 8 refs, 1 fig

  10. A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar (Germany); Thamburaja, P., E-mail: prakash.thamburaja@gmail.com [Department of Mechanical & Materials Engineering, Universiti Kebangsaan Malaysia (UKM), Bangi 43600 (Malaysia); Rabczuk, T., E-mail: timon.rabczuk@tdt.edu.vn [Division of Computational Mechanics, Ton Duc Thang University, Ho Chi Minh City (Viet Nam); Faculty of Civil Engineering, Ton Duc Thang University, Ho Chi Minh City (Viet Nam)

    2016-12-15

    A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.

  11. Grain-growth law during Stage 1 sintering of materials

    International Nuclear Information System (INIS)

    He Zeming; Ma, J.

    2002-01-01

    This work investigates the grain-growth behaviour of powder compact during Stage 1 sintering (<90{%} theoretical density). It is widely accepted that grain size is an important state variable in the constitutive modelling in material sintering. However, it is noted that all the existing grain-growth laws proposed in the literature do not incorporate the effect of externally applied stress independently. In this work, a grain-growth law with externally applied stress as a variable was proposed. Alumina powders were forge-sintered at different applied stresses to examine the proposed grain-growth relationship. The proposed grain-growth law was then applied to model the grain-growth process on the sinter forging of tool steel. It is shown that the present proposed grain-growth law provides a good description on the experimental results. (author)

  12. Statistical Theory of Normal Grain Growth Revisited

    International Nuclear Information System (INIS)

    Gadomski, A.; Luczka, J.

    2002-01-01

    In this paper, we discuss three physically relevant problems concerning the normal grain growth process. These are: Infinite vs finite size of the system under study (a step towards more realistic modeling); conditions of fine-grained structure formation, with possible applications to thin films and biomembranes, and interesting relations to superplasticity of materials; approach to log-normality, an ubiquitous natural phenomenon, frequently reported in literature. It turns out that all three important points mentioned are possible to be included in a Mulheran-Harding type behavior of evolving grains-containing systems that we have studied previously. (author)

  13. Modeling the effect of neighboring grains on twin growth in HCP polycrystals

    Science.gov (United States)

    Kumar, M. Arul; Beyerlein, I. J.; Lebensohn, R. A.; Tomé, C. N.

    2017-09-01

    In this paper, we study the dependence of neighboring grain orientation on the local stress state around a deformation twin in a hexagonal close packed (HCP) crystal and its effects on the resistance against twin thickening. We use a recently developed, full-field elasto-visco-plastic formulation based on fast Fourier transforms that account for the twinning shear transformation imposed by the twin lamella. The study is applied to Mg, Zr and Ti, since these HCP metals tend to deform by activation of different types of slip modes. The analysis shows that the local stress along the twin boundary are strongly controlled by the relative orientation of the easiest deformation modes in the neighboring grain with respect to the twin lamella in the parent grain. A geometric expression that captures this parent-neighbor relationship is proposed and incorporated into a larger scale, mean-field visco-plastic self-consistent model to simulate the role of neighboring grain orientation on twin thickening. We demonstrate that the approach improves the prediction of twin area fraction distribution when compared with experimental observations.

  14. Phase field simulation of grain growth in porous uranium dioxide

    International Nuclear Information System (INIS)

    Ahmed, Karim; Pakarinen, Janne; Allen, Todd; El-Azab, Anter

    2014-01-01

    Graphical abstract: Display Omitted -- Abstract: A novel phase field model has been developed to investigate grain growth in porous polycrystalline UO 2 . Based on a system of Cahn–Hilliard and Allen–Cahn equations, the model takes into consideration both the curvature driven grain boundary motion and pore migration by surface diffusion. As such, the model accounts for the interaction between pore and grain boundary kinetics, which tends to retard the growth process. The phase field model parameters are found in terms of measurable material properties. Hence, quantitative results that can be compared with experiments were obtained. The model has been used to investigate the effect of porosity on the kinetics of grain growth in UO 2 . It is found that, as the amount of porosity increases, grain growth in UO 2 gradually changes from boundary controlled growth to pore controlled growth. For high porosity levels, the grain growth completely stops after a short evolution time. It is also found that the inhomogeneous distribution of pores leads to abnormal grain growth even without taking into account the anisotropy in grain boundary energy and mobility. The effects of porosity, temperature and initial microstructure on grain growth were thoroughly investigated. The model predictions are in good agreement with published experimental results of grain growth in UO 2

  15. Mesoscopic simulation of recrystallization and grain growth

    International Nuclear Information System (INIS)

    Rollett, A.D.

    2000-01-01

    A brief summary of simulation techniques for recrystallization and grain growth is given. The available methods include surface evolver, front tracking (including finite element methods and vertex methods), networks of curves, phase field, cellular automata, and Monte Carlo. Two of the models that use a regular lattice, the Potts model and the Cellular Automaton (CA) model, have proved to be very useful. Microstructure is represented on a discrete lattice where the value of the field at each point represents the local orientation of the material and boundaries exist between points of unlike orientation. Two issues are discussed: one is a hybrid approach to combining the standard Monte Carlo and cellular automata algorithms for recrystallization modeling. The second is adaptation of the MC method for modeling grain growth (and recrystallization) with physically based boundary properties. Both models have significant limitations in their standard forms. The CA model is very useful and efficient for simulating recrystallization with deterministic motion of the recrystallization fronts. It can be adapted to simulate curvature driven migration provided that multiple sub-lattices are used with a probabilistic switching rule. The Potts model is very successful in modeling curvature driven boundary migration and grain growth. It does not simulate the proportionality between boundary velocity and a stored energy driving force, however, unless rather restricted conditions of stored energy (in relation to the grain boundary energy) and lattice temperature are satisfied. A new approach based on a hybrid of the Potts model (MC) and the Cellular Automaton (CA) model has been developed to obtain the desired limiting behavior for both curvature-driven and stored energy-driven grain boundary migration. The combination of methods is achieved by interleaving the two different types of reorientation event in time. The results show that the hybrid algorithm models the Gibbs

  16. Concepts on Low Temperature Mechanical Grain Growth

    Energy Technology Data Exchange (ETDEWEB)

    Sharon, John Anthony [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Metallurgy and Materials Joining Dept.; Boyce, Brad Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Metallurgy and Materials Joining Dept.

    2013-11-01

    In metals, as grain size is reduced below 100nm, conventional dislocation plasticity is suppressed resulting in improvements in strength, hardness, and wears resistance. Existing and emerging components use fine grained metals for these beneficial attributes. However, these benefits can be lost in service if the grains undergo growth during the component’s lifespan. While grain growth is traditionally viewed as a purely thermal process that requires elevated temperature exposure, recent evidence shows that some metals, especially those with nanocrystalline grain structure, can undergo grain growth even at room temperature or below due to mechanical loading. This report has been assembled to survey the key concepts regarding how mechanical loads can drive grain coarsening at room temperature and below. Topics outlined include the atomic level mechanisms that facilitate grain growth, grain boundary mobility, and the impact of boundary structure, loading scheme, and temperature.

  17. Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth

    International Nuclear Information System (INIS)

    Cruz, Roberto de la; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

    2017-01-01

    The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction–diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction–diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge

  18. Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth

    Science.gov (United States)

    de la Cruz, Roberto; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

    2017-12-01

    The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction-diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction-diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge of

  19. Equi-axed and columnar grain growth in UO2

    International Nuclear Information System (INIS)

    White, R.J.

    1997-01-01

    The grain size of UO 2 is an important parameter in the actual performance and the modelling of the performance of reactor fuel elements. Many processes depend critically on the grain size, for example, the degree of initial densification, the evolution rate of stable fission gases, the release rates of radiologically hazardous fission products, the fission gas bubble swelling rates and the fuel creep. Many of these processes are thermally activated and further impact on the fuel thermal behavior thus creating complex feedback processes. In order to model the fuel performance accurately it is necessary to model the evolution of the fuel grain radius. When UO 2 is irradiated, the fission gases xenon and krypton are created from the fissioning uranium nucleus. At high temperatures these gases diffuse rapidly to the grain boundaries where they nucleate immobile lenticular shaped fission gas bubbles. In this paper the Hillert grain growth model is adapted to account for the inhibiting ''Zener'' effects of grain boundary fission gas porosity on grain boundary mobility and hence grain growth. It is shown that normal grain growth ceases at relatively low levels of irradiation. At high burnups, high temperatures and in regions of high temperature gradients, columnar grain growth is often observed, in some cases extending over more than fifty percent of the fuel radius. The model is further extended to account for the de-pinning of grains in the radial direction by the thermal gradient induced force on a fission gas grain boundary bubble. The observed columnar/equi-axed boundary is in fair agreement with the predictions of an evaporation/condensation model. The grain growth model described in this paper requires information concerning the scale of grain boundary porosity, the local fuel temperature and the local temperature gradient. The model is currently used in the Nuclear Electric version of the ENIGMA fuel modelling code. (author). 14 refs, 3 figs, 1 tab

  20. Computer-aided analysis of grain growth in metals

    DEFF Research Database (Denmark)

    Klimanek, P.; May, C.; Richter, H.

    1993-01-01

    Isothermal grain growth in aluminium, copper and alpha-iron was investigated experimentally at elevated temperatures and quantitatively interpreted by computer simulation on the base of a statistical model described in [4,5,6]. As it is demonstrated for the grain growth kinetics, the experimental...... data can be fitted satisfactorly....

  1. Methods of assessing grain-size distribution during grain growth

    DEFF Research Database (Denmark)

    Tweed, Cherry J.; Hansen, Niels; Ralph, Brian

    1985-01-01

    This paper considers methods of obtaining grain-size distributions and ways of describing them. In order to collect statistically useful amounts of data, an automatic image analyzer is used, and the resulting data are subjected to a series of tests that evaluate the differences between two related...... distributions (before and after grain growth). The distributions are measured from two-dimensional sections, and both the data and the corresponding true three-dimensional grain-size distributions (obtained by stereological analysis) are collected. The techniques described here are illustrated by reference...

  2. Stress-driven grain growth

    CSIR Research Space (South Africa)

    Nabarro, FRN

    1998-11-13

    Full Text Available of length b (1+ epsilon) is parallel to sigma, embedded in a grain in which the lattice vector b (1+ epsilon) is transverse to sigma. If the embedded grain grows at the expense of its matrix, the source of the stress will do work, and therefore the presence...

  3. Correlation of thermodynamics and grain growth kinetics in nanocrystalline metals

    International Nuclear Information System (INIS)

    Song Xiaoyan; Zhang Jiuxing; Li Lingmei; Yang Keyong; Liu Guoquan

    2006-01-01

    We investigated the correlation of thermodynamics and grain growth kinetics of nanocrystalline metals both theoretically and experimentally. A model was developed to describe the thermodynamic properties of nanograin boundaries, which could give reliable predictions in the destabilization characteristics of nanograin structures and the slowing down of grain growth kinetics at a constant temperature. Both the temperature-varying and isothermal nanograin growth behaviors in pure nanocrystalline Co were studied to verify the thermodynamic predictions. The experimental results showing that discontinuous nanograin growth takes place at a certain temperature and grain growth rate decreases monotonically with time confirm our thermodynamics-based description of nanograin growth characteristics. Therefore, we propose a thermodynamic viewpoint to explain the deviation of grain growth kinetics in nanocrystalline metals from those of polycrystalline materials

  4. Abnormal Grain Growth Suppression in Aluminum Alloys

    Science.gov (United States)

    Hales, Stephen J. (Inventor); Claytor, Harold Dale (Inventor); Alexa, Joel A. (Inventor)

    2015-01-01

    The present invention provides a process for suppressing abnormal grain growth in friction stir welded aluminum alloys by inserting an intermediate annealing treatment ("IAT") after the welding step on the article. The IAT may be followed by a solution heat treatment (SHT) on the article under effectively high solution heat treatment conditions. In at least some embodiments, a deformation step is conducted on the article under effective spin-forming deformation conditions or under effective superplastic deformation conditions. The invention further provides a welded article having suppressed abnormal grain growth, prepared by the process above. Preferably the article is characterized with greater than about 90% reduction in area fraction abnormal grain growth in any friction-stir-welded nugget.

  5. Monte Carlo simulation of grain growth

    Directory of Open Access Journals (Sweden)

    Paulo Blikstein

    1999-07-01

    Full Text Available Understanding and predicting grain growth in Metallurgy is meaningful. Monte Carlo methods have been used in computer simulations in many different fields of knowledge. Grain growth simulation using this method is especially attractive as the statistical behavior of the atoms is properly reproduced; microstructural evolution depends only on the real topology of the grains and not on any kind of geometric simplification. Computer simulation has the advantage of allowing the user to visualize graphically the procedures, even dynamically and in three dimensions. Single-phase alloy grain growth simulation was carried out by calculating the free energy of each atom in the lattice (with its present crystallographic orientation and comparing this value to another one calculated with a different random orientation. When the resulting free energy is lower or equal to the initial value, the new orientation replaces the former. The measure of time is the Monte Carlo Step (MCS, which involves a series of trials throughout the lattice. A very close relationship between experimental and theoretical values for the grain growth exponent (n was observed.

  6. MATHEMATICAL MODEL OF GRAIN MICRONIZATION

    Directory of Open Access Journals (Sweden)

    V. A. Afanas’ev

    2014-01-01

    Full Text Available Summary. During micronisation grain moisture evaporates mainly in decreasing drying rate period. Grain layer located on the surface of the conveyor micronisers will be regarded as horizontal plate. Due to the fact that the micronisation process the surface of the grain evaporates little moisture (within 2-7 % is assumed constant plate thickness. Because in the process of micronization grain structure is changing, in order to achieve an exact solution of the equations necessary to take into account changes thermophysical, optical and others. Equation of heat transfer is necessary to add a term that is responsible for the infrared heating. Because of the small thickness of the grain, neglecting the processes occurring at the edge of the grain, that is actually consider the problem of an infinite plate. To check the adequacy of the mathematical model of the process of micronisation of wheat grain moisture content must be comparable to the function of time, obtained by solving the system of equations with the measured experimental data of experience. Numerical solution of a system of equations for the period of decreasing drying rate is feasible with the help of the Maple 14, substituting the values of the constants in the system. Calculation of the average relative error does not exceed 7- 10 %, and shows a good agreement between the calculated data and the experimental values.

  7. Effect of Time-Dependent Pinning Pressure on Abnormal Grain Growth: Phase Field Simulation

    Science.gov (United States)

    Kim, Jeong Min; Min, Guensik; Shim, Jae-Hyeok; Lee, Kyung Jong

    2018-05-01

    The effect of the time-dependent pinning pressure of precipitates on abnormal grain growth has been investigated by multiphase field simulation with a simple precipitation model. The application of constant pinning pressure is problematic because it always induces abnormal grain growth or no grain growth, which is not reasonable considering the real situation. To produce time-dependent pinning pressure, both precipitation kinetics and precipitate coarsening kinetics have been considered with two rates: slow and fast. The results show that abnormal grain growth is suppressed at the slow precipitation rate. At the slow precipitation rate, the overall grain growth caused by the low pinning pressure in the early stage indeed plays a role in preventing abnormal grain growth by reducing the mobility advantage of abnormal grains. In addition, the fast precipitate coarsening rate tends to more quickly transform abnormal grain growth into normal grain growth by inducing the active growth of grains adjacent to the abnormal grains in the early stage. Therefore, the present study demonstrates that the time dependence of the pinning pressure of precipitates is a critical factor that determines the grain growth mode.

  8. Growth modes of individual ferrite grains in the austenite to ferrite transformation of low carbon steels

    International Nuclear Information System (INIS)

    Li, D.Z.; Xiao, N.M.; Lan, Y.J.; Zheng, C.W.; Li, Y.Y.

    2007-01-01

    The mesoscale deterministic cellular automaton (CA) method and probabilistic Q-state Potts-based Monte Carlo (MC) model have been adopted to investigate independently the individual growth behavior of ferrite grain during the austenite (γ)-ferrite (α) transformation. In these models, the γ-α phase transformation and ferrite grain coarsening induced by α/α grain boundary migration could be simulated simultaneously. The simulations demonstrated that both the hard impingement (ferrite grain coarsening) and the soft impingement (overlapping carbon concentration field) have a great influence on the individual ferrite growth behavior. Generally, ferrite grains displayed six modes of growth behavior: parabolic growth, delayed nucleation and growth, temporary shrinkage, partial shrinkage, complete shrinkage and accelerated growth in the transformation. Some modes have been observed before by the synchrotron X-ray diffraction experiment. The mesoscopic simulation provides an alternative tool for investigating both the individual grain growth behavior and the overall transformation behavior simultaneously during transformation

  9. Grain-boundary engineering applied to grain growth in a high temperature material

    International Nuclear Information System (INIS)

    Huda, Z.

    1993-01-01

    Crystallography of grain boundaries are determined for a high temperature material, before and after grain growth processes, so as to study the induction of special properties useful for application in components of a gas-turbine engine. The philosophy of grain-boundary engineering is applied to grain growth in APK-6, a powder formed nickel-base superalloy so as to establish the possible structure/property relationships. The alloy in the as received condition is shown to possess a strong texture and contained coincident site lattices (CSL) boundaries with most boundaries having sigma values in the range of 3 > sigma > 25. A normal grain-growth heat treatment result in a good population of low angle grain boundaries, and drastically reduces the proportion of CSL boundaries. A strong [011] annealing texture is observed after an intermediate grain growth; most grain boundaries, here, tend to be high angle indicating a possibility of possessing special properties. (author)

  10. Stress-assisted grain growth in nanocrystalline metals: Grain boundary mediated mechanisms and stabilization through alloying

    International Nuclear Information System (INIS)

    Zhang, Yang; Tucker, Garritt J.; Trelewicz, Jason R.

    2017-01-01

    The mechanisms of stress-assisted grain growth are explored using molecular dynamics simulations of nanoindentation in nanocrystalline Ni and Ni-1 at.% P as a function of grain size and deformation temperature. Grain coalescence is primarily confined to the high stress region beneath the simulated indentation zone in nanocrystalline Ni with a grain size of 3 nm. Grain orientation and atomic displacement vector mapping demonstrates that coalescence transpires through grain rotation and grain boundary migration, which are manifested in the grain interior and grain boundary components of the average microrotation. A doubling of the grain size to 6 nm and addition of 1 at.% P eliminates stress-assisted grain growth in Ni. In the absence of grain coalescence, deformation is accommodated by grain boundary-mediated dislocation plasticity and thermally activated in pure nanocrystalline Ni. By adding solute to the grain boundaries, the temperature-dependent deformation behavior observed in both the lattice and grain boundaries inverts, indicating that the individual processes of dislocation and grain boundary plasticity will exhibit different activity based on boundary chemistry and deformation temperature.

  11. Growth rate of YBCO-Ag superconducting single grains

    Science.gov (United States)

    Congreve, J. V. J.; Shi, Y. H.; Dennis, A. R.; Durrell, J. H.; Cardwell, D. A.

    2017-12-01

    The large scale use of (RE)Ba2Cu3O7 bulk superconductors, where RE=Y, Gd, Sm, is, in part, limited by the relatively poor mechanical properties of these inherently brittle ceramic materials. It is reported that alloying of (RE)Ba2Cu3O7 with silver enables a significant improvement in the mechanical strength of bulk, single grain samples without any detrimental effect on their superconducting properties. However, due to the complexity and number of inter-related variables involved in the top seeded melt growth (TSMG) process, the growth of large single grains is difficult and the addition of silver makes it even more difficult to achieve successful growth reliably. The key processing variables in the TSMG process include the times and temperatures of the stages within the heating profile, which can be derived from the growth rate during the growth process. To date, the growth rate of the YBa2Cu3O7-Ag system has not been reported in detail and it is this lacuna that we have sought to address. In this work we measure the growth rate of the YBCO-Ag system using a method based on continuous cooling and isothermal holding (CCIH). We have determined the growth rate by measuring the side length of the crystallised region for a number of samples for specified isothermal hold temperatures and periods. This has enabled the growth rate to be modelled and from this an optimized heating profile for the successful growth of YBCO-Ag single grains to be derived.

  12. Nanoscale abnormal grain growth in (001) epitaxial ceria

    International Nuclear Information System (INIS)

    Solovyov, Vyacheslav F.; Develos-Bagarinao, Katherine; Nykypanchuk, Dmytro

    2009-01-01

    X-ray reciprocal-space mapping and atomic force microscopy (AFM) are used to study kinetics and mechanisms of lateral grain growth in epitaxial (001) ceria (CeO 2 ) deposited by pulsed laser deposition on (001) yttria-stabilized zirconia (YSZ) and (12 lowbar 10) (r-cut) sapphire. Rate and character of the grain growth during postannealing at 1050 deg. C are found to be strongly dependent on the type of the epitaxial substrate. Films deposited on YSZ exhibit signatures of normal grain growth, which stagnated after the lateral grain size reaches 40 nm, consistent with the grain-boundary pinning by the thermal grooving. In contrast, when r-cut sapphire substrate was used, abnormal (secondary) grain growth is observed. A small population of grains grow to well over 100 nm consuming smaller, 100 nm large (001) terminations and rendering the sample single-crystalline quality. The grain growth is accompanied by reduction in lateral rms strain, resulting in a universal grain size--rms strain dependence. Analysis of the AFM and x-ray diffraction data leads to the conclusion that bimodal initial grain population consisting of grains with very different sizes is responsible for initiation of the abnormal growth in (001) CeO 2 films on r-cut sapphire. Due to different surface chemistry, when a YSZ substrate is used, the initial grain distribution is monomodal, therefore only normal growth is active. We demonstrate that a 2.2 deg. miscut of the sapphire substrate eliminates the large-grain population, thus suppressing abnormal grain growth. It is concluded that utilization of abnormal grain growth is a promising way for synthesis of large (001) ceria terminations.

  13. Equi-axed and columnar grain growth in UO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    White, R J [Berkely Technology Centre, Nuclear Electric plc, Berkeley (United Kingdom)

    1997-08-01

    The grain size of UO{sub 2} is an important parameter in the actual performance and the modelling of the performance of reactor fuel elements. Many processes depend critically on the grain size, for example, the degree of initial densification, the evolution rate of stable fission gases, the release rates of radiologically hazardous fission products, the fission gas bubble swelling rates and the fuel creep. Many of these processes are thermally activated and further impact on the fuel thermal behavior thus creating complex feedback processes. In order to model the fuel performance accurately it is necessary to model the evolution of the fuel grain radius. When UO{sub 2} is irradiated, the fission gases xenon and krypton are created from the fissioning uranium nucleus. At high temperatures these gases diffuse rapidly to the grain boundaries where they nucleate immobile lenticular shaped fission gas bubbles. In this paper the Hillert grain growth model is adapted to account for the inhibiting ``Zener`` effects of grain boundary fission gas porosity on grain boundary mobility and hence grain growth. It is shown that normal grain growth ceases at relatively low levels of irradiation. At high burnups, high temperatures and in regions of high temperature gradients, columnar grain growth is often observed, in some cases extending over more than fifty percent of the fuel radius. The model is further extended to account for the de-pinning of grains in the radial direction by the thermal gradient induced force on a fission gas grain boundary bubble. The observed columnar/equi-axed boundary is in fair agreement with the predictions of an evaporation/condensation model. The grain growth model described in this paper requires information concerning the scale of grain boundary porosity, the local fuel temperature and the local temperature gradient. The model is currently used in the Nuclear Electric version of the ENIGMA fuel modelling code. (author). 14 refs, 3 figs, 1 tab.

  14. Effects of grain size distribution on the interstellar dust mass growth

    OpenAIRE

    Hirashita, Hiroyuki; Kuo, Tzu-Ming

    2011-01-01

    Grain growth by the accretion of metals in interstellar clouds (called `grain growth') could be one of the dominant processes that determine the dust content in galaxies. The importance of grain size distribution for the grain growth is demonstrated in this paper. First, we derive an analytical formula that gives the grain size distribution after the grain growth in individual clouds for any initial grain size distribution. The time-scale of the grain growth is very sensitive to grain size di...

  15. The diffusional growth of a grain boundary crack

    International Nuclear Information System (INIS)

    Puls, M.P.; Dutton, R.

    1977-10-01

    This report considers the possibility of high temperature rupture occurring by a grain boundary diffusional mechanism. It is assumed that a pre-existing, intergranular crack grows by loss of atoms from the crack tip to the grain boundary. Rupture occurs when the crack has grown to a critical length. A theoretical treatment of the kinetics of crack growth is presented and equations are derived for the crack velocity and time to rupture. A comparison is made with a previous theoretical model developed by Charles, together with rupture data obtained experimentally for the nickel-based alloy, Nimonic 80A. We conclude that experimental verification of the theoretical models requires a comparison with crack velocity data rather than time to rupture data. (author)

  16. On the fission gas release from oxide fuels during normal grain growth

    International Nuclear Information System (INIS)

    Paraschiv, M.C.; Paraschiv, A.; Glodeanu, F.

    1997-01-01

    A mathematical formalism for calculating the fission gas release from oxide fuels considering an arbitrary distribution of fuel grain size with only zero boundary condition for gas diffusion at the grain boundary is proposed. It has also been proved that it becomes unnecessary to consider the grain volume distribution function for fission products diffusion when the grain boundary gas resolution is considered, if thermodynamic forces on grain boundaries are only time dependent. In order to highlight the effect of the normal grain growth on fission gas release from oxide fuels Hillert's and Lifshitz and Slyozov's theories have been selected. The last one was used to give an adequate treatment of normal grain growth for the diffusion-controlled grain boundary movement in oxide fuels. It has been shown that during the fuel irradiation, the asymptotic form of the grain volume distribution functions given by Hillert and Lifshitz and Slyozov models can be maintained but the grain growth rate constant becomes time dependent itself. Experimental results have been used to correlate the two theoretical models of normal grain growth to the fission gas release from oxide fuels. (orig.)

  17. Monte carlo simulation of anisotropic grain growth in liquid phase sintering

    International Nuclear Information System (INIS)

    Han, Yoon Soo; Kim, Do Kyung

    2003-01-01

    One of the key techniques in modern engineering ceramic system is microstructural control of anisotropic grain growth because grain orientation and shape proved to have an influence on mechanic, dielectric and electric behavior of ceramics. But until now, computer simulation for grain growth has not sufficiently addressed to this subject. The reason is that simulation algorithm was laborious because it has to contain mass transfer through liquid phase and especially anisotropic grain growth has to be considered based on interfacial properties in real system. The goal of present study is simulation of anisotropic grain growth in liquid phase by Q-states model. To give anisotropic inherency to grains, constraint on mobility to specific boundaries was applied. For comparison, we measured grain size distribution and deduced grain growth kinetics from relation ship between average grain size and time. As a result, the grain size distribution functions become broader and the peak height decreases as the anisotropy is increased. The growth exponent 0.67 and 0.47 found by linear fitting have slightly different values in comparison with work of Grest et al. but similar is trend to the decrease of exponent with anisotropy

  18. A comparison of grain boundary evolution during grain growth in fcc metals

    International Nuclear Information System (INIS)

    Brons, J.G.; Thompson, G.B.

    2013-01-01

    Grain growth of Cu and Ni thin films, subjected to in situ annealing within a transmission electron microscope, has been quantified using a precession-enhanced electron diffraction technique. The orientation of each grain and its misorientation with respect to its neighboring grains were calculated. The Cu underwent grain growth that maintained a monomodal grain size distribution, with its low-angle grain boundaries being consumed, and the Ni exhibited grain size distributions in stages, from monomodal to bimodal to monomodal. The onset of Ni’s abnormal grain growth was accompanied by a sharp increase in the Σ3 and Σ9 boundary fractions, which is attributed to simulation predictions of their increased mobility. These Σ3 and Σ9 fractions then dropped to their room temperature values during the third stage of grain growth. In addition to the Σ3 and Σ9 boundaries, the Σ5 and Σ7 boundaries also underwent an increase in total boundary fraction with increasing temperature in both metals

  19. The Pinning by Particles of Low and High Angle Grain Boundaries during Grain Growth

    DEFF Research Database (Denmark)

    Tweed, C.J.; Ralph, B.; Hansen, Niels

    1984-01-01

    A study has been made using transmission electron microscopy of the pinning of grain boundaries in aluminium during grain growth by fine dispersions of alumina particles. The boundary parameters have been determined with precision and the pinning effects measured using an approach due to Ashby...

  20. Austenite Grain Growth Behavior of AISI 4140 Alloy Steel

    Directory of Open Access Journals (Sweden)

    Lin Wang

    2013-01-01

    Full Text Available AISI 4140 alloy steel is widely applied in the manufacture of various parts such as gears, rams, and spindles due to its good performance of strength, toughness, and wear resistance. The former researches most focused on its deformation and recrystallization behaviors under high temperature. However, the evolution laws of austenite grain growth were rarely studied. This behavior also plays an important role in the mechanical properties of parts made of this steel. In this study, samples are heated to a certain temperature of 1073 K, 1173 K, 1273 K, and 1373 K at a heating rate of 5 K per second and hold for different times of 0 s, 120 s, 240 s, 360 s, and 480 s before being quenched with water. The experimental results suggest that the austenite grains enlarge with increasing temperature and holding time. A mathematical model and an application developed in Matlab environment are established on the basis of previous works and experimental results to predict austenite grains size in hot deformation processes. The predicted results are in good agreement with experimental results which indicates that the model and the application are reliable.

  1. A model for strain hardening, recovery, recrystallization and grain growth with applications to forming processes of nickel base alloys

    Czech Academy of Sciences Publication Activity Database

    Riedel, H.; Svoboda, Jiří

    2016-01-01

    Roč. 665, MAY (2016), s. 175-183 ISSN 0921-5093 R&D Projects: GA ČR(CZ) GA14-24252S Institutional support: RVO:68081723 Keywords : Recrystallization * Recovery * Chaboche model Subject RIV: BJ - Thermodynamic s Impact factor: 3.094, year: 2016

  2. Search for grain growth toward the center of L1544

    NARCIS (Netherlands)

    Chacón-Tanarro, A.; Caselli, P.; Bizzocchi, L.; Pineda, J. E.; Harju, J.; Spaans, M.; Désert, F.-X.

    2017-01-01

    In dense and cold molecular clouds dust grains are surrounded by thick icy mantles. It is not clear, however, if dust growth and coagulation take place before the protostar switches on. This is an important issue as the presence of large grains may affect the chemical structure of dense cloud cores,

  3. Grain Growth in Samples of Aluminum Containing Alumina Particles

    DEFF Research Database (Denmark)

    Tweed, C. J.; Hansen, Niels; Ralph, B.

    1983-01-01

    A study of the two-dimensional and three-dimensional grain size distributions before and after grain growth treatments has been made in samples having a range of oxide contents. In order to collect statistically useful amounts of data, an automatic image analyzer was used and the resulting data w...

  4. Strain-induced grain growth of cryomilled nanocrystalline Al in trimodal composites during forging

    International Nuclear Information System (INIS)

    Yao, B.; Simkin, B.; Majumdar, B.; Smith, C.; Bergh, M. van den; Cho, K.; Sohn, Y.H.

    2012-01-01

    Highlights: ► Grain growth of cryomilled nanocrystalline aluminum during hot forging. ► Use of hollow cone dark field imaging technique in TEM for grain size measurement. ► Grain growth model of strain, strain rate and temperature for forging optimization. - Abstract: Grain growth of nanocrystalline aluminum ( nc Al) in trimodal Al metal-matrix-composites (MMCs) during hot forging was investigated. The nc Al phase formed through cryomilling of inert gas-atomized powders in liquid nitrogen has an average grain size down to 21 nm, exhibits excellent thermal stability. However, substantial grain growth of nc Al up to 63 nm was observed when the Al MMCs were thermo-mechanically processed even at relatively low temperatures. Grain growth of the cryomilled nc Al phase in trimodal Al MMCs after hot forging was documented with respect to temperature ranging from 175 °C to 287 °C, true strain ranging from 0.4 to 1.35 and strain rate ranging from 0.1 to 0.5 s −1 . Hollow cone dark field imaging technique was employed to provide statistically confident measurements of nc Al grain size that ranged from 21 to 63 nm. An increase in forging temperature and an increase in true strain were correlated with an increase in grain size of nc Al. Results were correlated to devise a phenomenological grain growth model for forging that takes strain, strain rate and temperature into consideration. Activation energy for the grain growth during thermo-mechanical hot-forging was determined to be 35 kJ/mol, approximately a quarter of activation energy for bulk diffusion of Al and a half of activation energy for static recrystallization.

  5. Grain Growth in Nanocrystalline Mg-Al Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Kruska, Karen; Rohatgi, Aashish; Vemuri, Venkata Rama Ses; Kovarik, Libor; Moser, Trevor H.; Evans, James E.; Browning, Nigel D.

    2017-10-05

    An improved understanding of grain growth kinetics in nanocrystalline materials, and in metals and alloys in general, is of continuing interest to the scientific community. In this study, Mg - Al thin films containing ~10 wt.% Al and with 14.5 nm average grain size were produced by magnetron-sputtering and subjected to heat-treatments. The grain growth evolution in the early stages of heat treatment at 423 K (150 °C), 473 K (200 °C) and 573K (300 °C) was observed with transmission electron microscopy and analyzed based upon the classical equation developed by Burke and Turnbull. The grain growth exponent was found to be 7±2 and the activation energy for grain growth was 31.1±13.4 kJ/mol, the latter being significantly lower than in bulk Mg-Al alloys. The observed grain growth kinetics are explained by the Al supersaturation in the matrix and the pinning effects of the rapidly forming beta precipitates and possibly shallow grain boundary grooves. The low activation energy is attributed to the rapid surface diffusion which is dominant in thin film systems.

  6. The Relationship Between Debris and Grain Growth in Polycrystalline Ice

    Science.gov (United States)

    Rivera, A.; McCarthy, C.

    2017-12-01

    An understanding of the mechanisms of ice flow, as well as the factors that affect it, must be improved in order to make more accurate predictions of glacial melting rates, and hence, sea level rise. Both field and laboratory studies have made an association between smaller grain sizes of ice and more rapid deformation. Therefore, it is essential to understand the different factors that affect grain size. Observations from ice cores have shown a correlation between debris content in layers of ice with smaller grain sizes, whereas layers with very little debris have larger grain sizes. Static grain growth rates for both pure ice and ice containing bubbles are well constrained, but the effect of small rock/dust particles has received less attention. We tested the relationship between debris and grain growth in polycrystalline ice with controlled annealing at -5°C and microstructural characterization. Three samples, two containing fine rock powder and one without, were fabricated, annealed, and imaged over time. The samples containing powder had different initial grain sizes due to solidification temperature during fabrication. Microstructural analysis was done on all samples after initial fabrication and at various times during the anneal using a light microscope housed in a cold room. Microstructural images were analyzed by the linear-intercept method. When comparing average grain size over time between pure ice and ice with debris, it was found that the rate of growth for the pure ice was larger than the rate of growth for the ice with debris at both initial grain sizes. These results confirm the observations seen in nature, and suggest that small grain size is indeed influenced by debris content. By understanding this, scientists could gain a more in-depth understanding of internal ice deformation and the mechanisms of ice flow. This, in turn, helps improve the accuracy of glacial melting predictions, and sea level rise in the future.

  7. Simulation study on the growth of grains in dusty plasmas

    International Nuclear Information System (INIS)

    Sato, Tetsuya; Watanabe, Kunihiko

    1997-01-01

    A new particle simulation code is developed for studying the dynamics of the grains which are exposed to charging by the background plasma particles. Effects of regular attachment of electrons and ions, effects of secondary electron emission, and coagulation of grains are included in this code. Simulation results show that grains randomly change their charges from negative to positive, or from positive to negative in a 'flip-flop' fashion as a result of competition between the electron attachment and secondary electron emission. It is found that the flip-flop effect becomes remarkable when the radius of grains is of the order of 10 nm, because the attachment of a single electron to a grain is less effective on the surface potential for larger grains, while the average probability of electron attachment is smaller for smaller grains. Grains with opposite charges attract each other to coagulate, so that grains of size of 10 nm are likely to grow in size. The flip-flop effect is found to be essential to the growth of grains. (author)

  8. Grain growth in ultrafine titanium powders during sintering

    International Nuclear Information System (INIS)

    Panigrahi, B.B.; Godkhindi, M.M.

    2006-01-01

    Grain growth behaviour of fine (∼3 μm) and attrition milled nanocrystalline (∼32 nm) titanium powers during sintering have been studied. The activation energies of grain growth (Q g ) in fine titanium were found to be 192.9 and 142.4 kJ/mol at lower and higher temperature ranges, respectively. The nanocrystalline titanium showed very low values of Q g (54.6 kJ/mol) at lower temperatures and it increased to 273.2 kJ/mol at higher temperatures. The constant (n) in nano Ti system was found to have unusually very high values of 6.5-8.2. The grain boundary rotation along with the diffusional processes could be the grain growth mechanism in nanocrystalline and in fine titanium powders

  9. Analysis of grain growth process in melt spun Fe-B alloys under the initial saturated grain boundary segregation condition

    International Nuclear Information System (INIS)

    Chen, Z.; Liu, F.; Yang, X.Q.; Fan, Y.; Shen, C.J.

    2012-01-01

    Highlights: → We compared pure kinetic, pure thermodynamic and extended thermo-kinetic models. → An initial saturated GB segregation condition of nanoscale Fe-B alloys was determined. → The controlled-mechanism was proposed using two characteristic times (t 1 and t 2 ). - Abstract: A grain growth process in the melt spun low-solid-solubility Fe-B alloys was analyzed under the initial saturated grain boundary (GB) segregation condition. Applying melt spinning technique, single-phase supersaturated nanograins were prepared. Grain growth behavior of the single-phase supersaturated nanograins was investigated by performing isothermal annealing at 700 deg. C. Combined with the effect of GB segregation on the initial GB excess amount, the thermo-kinetic model [Chen et al., Acta Mater. 57 (2009) 1466] was extended to describe the initial GB segregation condition of nanoscale Fe-B alloys. In comparison of pure kinetic model, pure thermodynamic model and the extended thermo-kinetic model, an initial saturated GB segregation condition was determined. The controlled-mechanism of grain growth under initial saturated GB segregation condition was proposed using two characteristic annealing times (t 1 and t 2 ), which included a mainly kinetic-controlled process (t ≤ t 1 ), a transition from kinetic-mechanism to thermodynamic-mechanism (t 1 2 ) and pure thermodynamic-controlled process (t ≥ t 2 ).

  10. A constitutive model of nanocrystalline metals based on competing grain boundary and grain interior deformation mechanisms

    KAUST Repository

    Gurses, Ercan; El Sayed, Tamer S.

    2011-01-01

    In this work, a viscoplastic constitutive model for nanocrystalline metals is presented. The model is based on competing grain boundary and grain interior deformation mechanisms. In particular, inelastic deformations caused by grain boundary

  11. Effect of Strain Restored Energy on Abnormal Grain Growth in Mg Alloy Simulated by Phase Field Methods

    Science.gov (United States)

    Wu, Yan; Huang, Yuan-yuan

    2018-03-01

    Abnormal grain growth of single phase AZ31 Mg alloy in the spatio-temporal process has been simulated by phase field models, and the influencing factors of abnormal grain growth are studied in order to find the ways to control secondary recrystallization in the microstructure. The study aims to find out the mechanisms for abnormal grain growth in real alloys. It is shown from the simulated results that the abnormal grain growth can be controlled by the strain restored energy. Secondary recrystallization after an annealing treatment can be induced if there are grains of a certain orientation in the microstructure with local high restored energy. However, if the value of the local restored energy at a certain grain orientation is not greater than 1.1E 0, there may be no abnormal grain growth in the microstructure.

  12. Grain growth of metal uranium; Rast zrna kod metalnog urana

    Energy Technology Data Exchange (ETDEWEB)

    Cerovic, D [Institute of Nuclear Sciences Boris Kidric, Vinca, Beograd (Yugoslavia)

    1965-11-15

    In order to study the grain growth, uranium samples were deformed by molding up to 50% and then by rolling at 600 deg C for recrystallization. Grains obtained by recrystallization having diameter 10 - 15 {mu} were heated at different temperatures and during different time intervals to record the changes of grain size. Characteristic grain growth values, rate constants, time exponent and activation energy, were calculated by using the obtained data. U cilju proucavanja rasta zrna uzorci urana deformisani su valjanjem do 50%, a zatim zareni na 600 deg C da rekristalisu. Rekristalizacijom su dobijena sitna zrna, precnika 10-15 {mu} koja su zatim podvrgavana zarenju pri raznim temperaturama i razlicitm vremenskim intervalima, pri cemu je pracena promena velicine zrna. Na osnovu dobijenih podataka izracunate su karakteristicne velicine rasta zrna: konstante brzine, vremenski eksponent i energija aktivacije (author)

  13. Kinetics of Grain Growth in 718 Ni-Base Superalloy

    Directory of Open Access Journals (Sweden)

    Huda Z.

    2014-10-01

    Full Text Available The Haynes® 718 Ni-base superalloy has been investigated by use of modern material characterization, metallographic and heat treatment equipment. Grain growth annealing experiments at temperatures in the range of 1050 – 1200 oC (1323–1473K for time durations in the range of 20 min-22h have been conducted. The kinetic equations and an Arrhenius-type equation have been applied to compute the grain-growth exponent n and the activation energy for grain growth, Qg, for the investigated alloy. The grain growth exponent, n, was computed to be in the range of 0.066-0.206; and the n values have been critically discussed in relation to the literature. The activation energy for grain growth, Qg, for the investigated alloy has been computed to be around 440 kJ/mol; and the Qg data for the investigated alloy has been compared with other metals and alloys and ceramics; and critically analyzed in relation to our results.

  14. Grain growth in uranium nitride prepared by spark plasma sintering

    Science.gov (United States)

    Johnson, Kyle D.; Lopes, Denise Adorno

    2018-05-01

    Uranium mononitride (UN) has long been considered a potential high density, high performance fuel candidate for light water reactor (LWR) and fast reactor (FR) applications. However, deployability of this fuel has been limited by the notable resistance to sintering and subsequent difficulty in producing a desirable microstructure, the high costs associated with 15N enrichment, as well as the known proclivity to oxidation and interaction with steam. In this study, the stimulation of grain growth in UN pellets sintered using SPS has been investigated. The results reveal that by using SPS and controlling temperature, time, and holding pressure, grain growth can be stimulated and controlled to produce a material featuring both a desired porosity and grain size, at least within the range of interest for nuclear fuel candidates. Grain sizes up to 31 μm were obtained using temperatures of 1650 °C and hold times of 15 min. Evaluation by EBSD reveal grain rotation and coalescence as the dominant mechanism in grain growth, which is suppressed by the application of higher external pressure. Moreover, complete closure of the porosity of the material was observed at relative densities of 96% TD, resulting in a material with sufficient porosity to accommodate LWR burnup. These results indicate that a method exists for the economic fabrication of an 15N-bearing uranium mononitride fuel with favorable microstructural characteristics compatible with use in a light water-cooled nuclear reactor.

  15. Dynamic recrystallization and grain growth in olivine rocks

    NARCIS (Netherlands)

    Kellermann Slotemaker, A.

    2006-01-01

    A mechanism based description of the rheology of olivine is essential for modeling of upper mantle geodynamics. Previously, mantle flow has been investigated using flow laws for grain size insensitive (GSI) dislocation creep and/or grain size sensitive (GSS) diffusion creep of olivine. Generally,

  16. Quantitative Phase-Field Approach for Simulating Grain Growth in Anisotropic Systems with Arbitrary Inclination and Misorientation Dependence

    International Nuclear Information System (INIS)

    Moelans, N.; Blanpain, B.; Wollants, P.

    2008-01-01

    A phase-field approach for quantitative simulations of grain growth in anisotropic systems is introduced, together with a new methodology to derive appropriate model parameters that reproduce given misorientation and inclination dependent grain boundary energy and mobility in the simulations. The proposed model formulation and parameter choice guarantee a constant diffuse interface width and consequently give high controllability of the accuracy in grain growth simulations

  17. Yttria-Ceria stabilized tetragonal zirconia polycrystals: Sintering, grain growth and grain boundary segregation

    NARCIS (Netherlands)

    Boutz, M.M.R.; Boutz, M.M.R.; Winnubst, Aloysius J.A.; Burggraaf, Anthonie; Burggraaf, A.J.

    1994-01-01

    An analysis is presented of grain growth and densification of yttria-ceria stabilized tetragonal zirconia polycrystals (Y, Ce-TZPs) using both isothermal and non-isothermal techniques. The characteristics of Y, Ce-TZPs are compared to those of Y-TZP and Ce-TZP and the effect of increasing ceria

  18. Numerical and Experimental Investigation of the Influence of Growth Restriction on Grain Size in Binary Cu Alloys

    Directory of Open Access Journals (Sweden)

    Andreas Cziegler

    2017-09-01

    Full Text Available Grain refinement by elemental addition has been extensively investigated within the last decades in Al or Mg alloys. In contrast, in the Cu system, the role of solute on grain size is less investigated. In this study, the grain refinement potency of several alloying elements of the Cu system was examined. To predict grain size depending on the growth restriction factor Q, grain size modelling was performed. The results obtained by the grain size model were compared to variations in the grain size of binary Cu alloys with increasing solute content under defined cooling conditions of the TP-1 grain refiner test of the Aluminium Association©. It was found that the experimental results differed significantly from the predicted grain size values for several alloying elements. A decreasing grain size with increasing alloy concentration was observed independently of the growth restriction potency of the alloying elements. Furthermore, excessive grain coarsening was found for several solutes beyond a transition point. It is assumed that contradictory variations in grain size result from a change in the nucleating particle density of the melt. Significant decreases in grain size are supposed to be due to the in-situ formation of potent nucleation sites. Excessive grain coarsening with increasing solute content may occur due to the removal of nucleating particles. The model shows that the difference in the actual number of particles before and beyond the transition point must be in the range of several orders of magnitude.

  19. A simple method to evaluate the fission gas release at fuel grain boundary including the grain growth both at constant and at transient power histories

    International Nuclear Information System (INIS)

    Paraschiv, M.; Paraschiv, A.

    1991-01-01

    A method to rewrite Fick's second law for a region with a moving boundary when the moving law in time of this boundary is known, has been proposed. This method was applied to Booth's sphere model for radioactive and stable fission product diffusion from the oxide fuel grain in order to take into account the grain growth. The solution of this new equation was presented in the mathematical formulation for power histories from ANS 5.4 model for the stable species. It is very simple to apply and very accurate. The results obtained with this solution for constant and transient temperatures show that the fission gas release (FGR) at grain boundary is strongly dependent on kinetics of grain growth. The utilization of two semiempirical grain growth laws, from published information, shows that the fuel microstructural properties need to be multicitly considered in the fission gas release for every manufacturer of fuel. (orig.)

  20. The destruction and growth of dust grains in interstellar space

    International Nuclear Information System (INIS)

    Barlow, M.J.

    1978-01-01

    The processes governing the destruction and growth of dust grains in interstellar space are investigated with a view to establishing the conditions required for the existence of ice mantles. In this paper sputtering by particles with energies in the eV to GeV range is considered. Previous sputtering yield estimates which were based on theoretical considerations are shown to be greatly in error for incident particle energies of less than 1 keV. Empirical formulae for the sputtering threshold energy and the sputtering yield are derived from the extensive experimental data available. The sputtering of grains in H II regions, in the inter-cloud medium, and in shock waves produced by cloud-cloud collisions and by supernova remnants, is investigated. Of these, supernova remnants are shown to be the most important, leading to lifetimes of approximately 2 x 10 8 yr for ice grains and between 5 to 20 x 10 8 yr for refractory grains. Destruction rates are estimated for grains bombarded by MeV and GeV cosmic rays. It is shown that collision cascade sputtering dominates evaporative sputtering produced by thermal spikes. It is also shown that even if all electron excitation energy loss in a grain material could be transferred to the lattice particles, the observed cosmic ray flux spectrum could not cause significant destruction of ice grains. (author)

  1. Giant secondary grain growth in Cu films on sapphire

    Directory of Open Access Journals (Sweden)

    David L. Miller

    2013-08-01

    Full Text Available Single crystal metal films on insulating substrates are attractive for microelectronics and other applications, but they are difficult to achieve on macroscopic length scales. The conventional approach to obtaining such films is epitaxial growth at high temperature using slow deposition in ultrahigh vacuum conditions. Here we describe a different approach that is both simpler to implement and produces superior results: sputter deposition at modest temperatures followed by annealing to induce secondary grain growth. We show that polycrystalline as-deposited Cu on α-Al2O3(0001 can be transformed into Cu(111 with centimeter-sized grains. Employing optical microscopy, x-ray diffraction, and electron backscatter diffraction to characterize the films before and after annealing, we find a particular as-deposited grain structure that promotes the growth of giant grains upon annealing. To demonstrate one potential application of such films, we grow graphene by chemical vapor deposition on wafers of annealed Cu and obtain epitaxial graphene grains of 0.2 mm diameter.

  2. Analysis of controlled-mechanism of grain growth in undercooled Fe-Cu alloy

    International Nuclear Information System (INIS)

    Chen Zheng; Liu Feng; Yang Xiaoqin; Shen Chengjin; Fan Yu

    2011-01-01

    Highlights: → In terms of a thermo-kinetic model applicable for micro-scale undercooled Fe-4 at.% Cu alloy, grain growth behavior of the single-phase supersaturated granular grain was investigated. → In comparison of pure kinetic model, pure thermodynamic model and the extended thermo-kinetic model, two characteristic annealing time were determined. → The controlled-mechanism of grain growth in undercooled Fe-Cu alloy was proposed, including a mainly kinetic-controlled process, a transition from kinetic-mechanism to thermodynamic-mechanism and purely thermodynamic-controlled process. - Abstract: An analysis of controlled-mechanism of grain growth in the undercooled Fe-4 at.% Cu immiscible alloy was presented. Grain growth behavior of the single-phase supersaturated granular grains prepared in Fe-Cu immiscible alloy melt was investigated by performing isothermal annealings at 500-800 deg. C. The thermo-kinetic model [Chen et al., Acta Mater. 57 (2009) 1466] applicable for nano-scale materials was extended to the system of micro-scale undercooled Fe-4 at.% Cu alloy. In comparison of pure kinetic model, pure thermodynamic model and the extended thermo-kinetic model, two characteristic annealing time (t 1 and t 2 ) were determined. The controlled-mechanism of grain growth in undercooled Fe-Cu alloy was proposed, including a mainly kinetic-controlled process (t ≤ t 1 ), a transition from kinetic-mechanism to thermodynamic-mechanism (t 1 2 ) and purely thermodynamic-controlled process (t ≥ t 2 ).

  3. Grain growth kinetics in uranium-plutonium mixed oxides

    International Nuclear Information System (INIS)

    Sari, C.

    1986-01-01

    Grain growth rates were investigated in uranium-plutonium mixed oxide specimens with oxygen-to-metal ratios 1.97 and 2.0. The specimens in the form of cylindrical pellets were heated in a temperature gradient similar to that existing in a fast reactor. The results are in agreement with the cubic rate law. The mean grain size D(μm) after annealing for time t (min) is represented by D 3 -D 0 3 =1.11x10 12 . exp(-445870/RT).t and D 3 -D 0 3 =2.55x10 9 .exp(-319240/RT).t for specimens with overall oxygen-to-metal ratios 1.97 and 2.0, respectively (activation energies expressed in J/mol). An example for the influence of the oxygen-to-metal ratio on the grain growth in mixed oxide fuel during operation in a fast reactor is also given. (orig.)

  4. Grain boundary cavity growth under applied stress and internal pressure

    International Nuclear Information System (INIS)

    Mancuso, J.F.

    1977-08-01

    The growth of grain boundary cavities under applied stress and internal gas pressure was investigated. Methane gas filled cavities were produced by the C + 4H reversible CH4 reaction in the grain boundaries of type 270 nickel by hydrogen charging in an autoclave at 500 0 C with a hydrogen pressure of either 3.4 or 14.5 MPa. Intergranular fracture of nickel was achieved at a charging temperature of 300 0 C and 10.3 MPa hydrogen pressure. Cavities on the grain boundaries were observed in the scanning electron microscope after fracture. Photomicrographs of the cavities were produced in stereo pairs which were analyzed so as to correct for perspective distortion and also to determine the orientational dependence of cavity growth under an applied tensile stress

  5. Nanoscale grain growth behaviour of CoAl intermetallic synthesized ...

    Indian Academy of Sciences (India)

    Grain growth behaviour of the nanocrystalline CoAl intermetallic compound synthesized by mechanical alloying has been studied by isothermal annealing at different temperatures and durations. X-ray diffraction method was employed to investigate structural evolutions during mechanical alloying and annealing processes.

  6. Growth, assimilate partitioning and grain yield response of soybean ...

    African Journals Online (AJOL)

    This investigation tested variation in the growth components, assimilate partitioning and grain yield of soybean (Glycine max L. Merrrill) varieties established in CO2 enriched atmosphere when inoculated with mixtures of Arbuscular mycorrhizal fungi (AMF) species in the humid rainforest of Nigeria. A pot and a field ...

  7. Nanoscale grain growth behaviour of CoAl intermetallic synthesized ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. Grain growth behaviour of the nanocrystalline CoAl intermetallic compound synthesized by mechanical alloying has been studied by isothermal annealing at different temperatures and durations. X-ray diffraction method was employed to investigate structural evolutions during mechanical alloying and anneal-.

  8. Large scale statistics for computational verification of grain growth simulations with experiments

    International Nuclear Information System (INIS)

    Demirel, Melik C.; Kuprat, Andrew P.; George, Denise C.; Straub, G.K.; Misra, Amit; Alexander, Kathleen B.; Rollett, Anthony D.

    2002-01-01

    It is known that by controlling microstructural development, desirable properties of materials can be achieved. The main objective of our research is to understand and control interface dominated material properties, and finally, to verify experimental results with computer simulations. We have previously showed a strong similarity between small-scale grain growth experiments and anisotropic three-dimensional simulations obtained from the Electron Backscattered Diffraction (EBSD) measurements. Using the same technique, we obtained 5170-grain data from an Aluminum-film (120 (micro)m thick) with a columnar grain structure. Experimentally obtained starting microstructure and grain boundary properties are input for the three-dimensional grain growth simulation. In the computational model, minimization of the interface energy is the driving force for the grain boundary motion. The computed evolved microstructure is compared with the final experimental microstructure, after annealing at 550 C. Characterization of the structures and properties of grain boundary networks (GBN) to produce desirable microstructures is one of the fundamental problems in interface science. There is an ongoing research for the development of new experimental and analytical techniques in order to obtain and synthesize information related to GBN. The grain boundary energy and mobility data were characterized by Electron Backscattered Diffraction (EBSD) technique and Atomic Force Microscopy (AFM) observations (i.e., for ceramic MgO and for the metal Al). Grain boundary energies are extracted from triple junction (TJ) geometry considering the local equilibrium condition at TJ's. Relative boundary mobilities were also extracted from TJ's through a statistical/multiscale analysis. Additionally, there are recent theoretical developments of grain boundary evolution in microstructures. In this paper, a new technique for three-dimensional grain growth simulations was used to simulate interface migration

  9. Evolution of grain boundary character distributions in alloy 825 tubes during high temperature annealing: Is grain boundary engineering achieved through recrystallization or grain growth?

    International Nuclear Information System (INIS)

    Bai, Qin; Zhao, Qing; Xia, Shuang; Wang, Baoshun; Zhou, Bangxin; Su, Cheng

    2017-01-01

    Grain boundary engineering (GBE) of nickel-based alloy 825 tubes was carried out with different cold drawing deformations by using a draw-bench on a factory production line and subsequent annealing at various temperatures. The microstructure evolution of alloy 825 during thermal-mechanical processing (TMP) was characterized by means of the electron backscatter diffraction (EBSD) technique to study the TMP effects on the grain boundary network and the evolution of grain boundary character distributions during high temperature annealing. The results showed that the proportion of ∑ 3 n coincidence site lattice (CSL) boundaries of alloy 825 tubes could be increased to > 75% by the TMP of 5% cold drawing and subsequent annealing at 1050 °C for 10 min. The microstructures of the partially recrystallized samples and the fully recrystallized samples suggested that the proportion of low ∑ CSL grain boundaries depended on the annealing time. The frequency of low ∑ CSL grain boundaries increases rapidly with increasing annealing time associating with the formation of large-size highly-twinned grains-cluster microstructure during recrystallization. However, upon further increasing annealing time, the frequency of low ∑ CSL grain boundaries decreased markedly during grain growth. So it is concluded that grain boundary engineering is achieved through recrystallization rather than grain growth. - Highlights: •The grain boundary engineering (GBE) is applicable to 825 tubes. •GBE is achieved through recrystallization rather than grain growth. •The low ∑ CSL grain boundaries in 825 tubes can be increased to > 75%.

  10. Modelling of grain refinement driven by negative grain boundary energy

    Czech Academy of Sciences Publication Activity Database

    Fischer, F. D.; Zickler, G. A.; Svoboda, Jiří

    2017-01-01

    Roč. 97, č. 23 (2017), s. 1963-1977 ISSN 1478-6435 R&D Projects: GA ČR(CZ) GA15-06390S Institutional support: RVO:68081723 Keywords : grain refinement * grain nucleation * distribution concept * jump on distribution function Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 1.505, year: 2016

  11. Coarse grained model for semiquantitative lipid simulations

    NARCIS (Netherlands)

    Marrink, SJ; de Vries, AH; Mark, AE

    2004-01-01

    This paper describes the parametrization of a new coarse grained (CG) model for lipid and surfactant systems. Reduction of the number of degrees of freedom together with the use of short range potentials makes it computationally very efficient. Compared to atomistic models a gain of 3-4 orders of

  12. Evolution of the Annealing Twin Density during δ-Supersolvus Grain Growth in the Nickel-Based Superalloy Inconel™ 718

    Directory of Open Access Journals (Sweden)

    Yuan Jin

    2015-12-01

    Full Text Available Grain growth experiments were performed on Inconel™ 718 to investigate the possible correlation of the annealing twin density with grain size and with annealing temperature. Those experiments were conducted at different temperatures in the δ supersolvus domain and under such conditions that only capillarity forces were involved in the grain boundary migration process. In the investigated range, there is a strong inverse correlation of the twin density with the average grain size. On the other hand, the twin density at a given average grain size is not sensitive to annealing temperature. Consistent with previous results for pure nickel, the twin density evolution in Inconel™ 718 is likely to be mainly controlled by the propagation of the pre-existing twins of the growing grains; i.e., the largest ones of the initial microstructure. Almost no new twin boundaries are created during the grain growth process itself. Therefore, the twin density at a given average grain size is mainly dependent on the twin density in the largest grains of the initial microstructure and independent of the temperature at which grains grow. Based on the observations, a mean field model is proposed to predict annealing twin density as a function of grain size during grain growth.

  13. Manufacturing process to reduce large grain growth in zirconium alloys

    International Nuclear Information System (INIS)

    Rosecrans, P.M.

    1987-01-01

    A method is described of treating cold worked zirconium alloys to reduce large grain growth during thermal treatment above its recrystallization temperature. The method comprises heating the zirconium alloy at a temperature of about 1300 0 F. to 1350 0 F. for about 1 to 3 hours subsequent to cold working the zirconium alloy and prior to the thermal treatment at a temperature of between 1450 0 -1550 0 F., the thermal treatment temperature being above the recrystallization temperature

  14. Three-dimensional investigation of grain orientation effects on void growth in commercially pure titanium

    International Nuclear Information System (INIS)

    Pushkareva, Marina; Adrien, Jérôme; Maire, Eric; Segurado, Javier; Llorca, Javier; Weck, Arnaud

    2016-01-01

    The fracture process of commercially pure titanium was visualized in model materials containing artificial holes. These model materials were fabricated using a femtosecond laser coupled with a diffusion bonding technique to obtain voids in the interior of titanium samples. Changes in void dimensions during in-situ straining were recorded in three dimensions using x-ray computed tomography. Void growth obtained experimentally was compared with the Rice and Tracey model which predicted well the average void growth. A large scatter in void growth data was explained by differences in grain orientation which was confirmed by crystal plasticity simulations. It was also shown that grain orientation has a stronger effect on void growth than intervoid spacing and material strength. Intervoid spacing, however, appears to control whether the intervoid ligament failure is ductile or brittle.

  15. Three-dimensional investigation of grain orientation effects on void growth in commercially pure titanium

    Energy Technology Data Exchange (ETDEWEB)

    Pushkareva, Marina [Department of Mechanical Engineering, University of Ottawa, 150 Louis Pasteur, Ottawa, ON, Canada K1N 6N5 (Canada); Adrien, Jérôme; Maire, Eric [Université de Lyon, INSA-Lyon, MATEIS CNRS UMR5510, 7 Avenue Jean Capelle, F-69621 Villeurbanne (France); Segurado, Javier; Llorca, Javier [IMDEA Materials Institute, C/Eric Kandel 2, 28906 Getafe, Madrid (Spain); Department of Materials Science, Polytechnic University of Madrid, E. T. S. de Ingenieros de Caminos, 28040 Madrid (Spain); Weck, Arnaud, E-mail: aweck@uottawa.ca [Department of Mechanical Engineering, University of Ottawa, 150 Louis Pasteur, Ottawa, ON, Canada K1N 6N5 (Canada); IMDEA Materials Institute, C/Eric Kandel 2, 28906 Getafe, Madrid (Spain); Department of Physics, University of Ottawa, 150 Louis Pasteur, Ottawa, ON, Canada K1N 6N5 (Canada); Centre for Research in Photonics at the University of Ottawa, 800 King Edward Ave., Ottawa, ON, Canada K1N 6N5 (Canada)

    2016-08-01

    The fracture process of commercially pure titanium was visualized in model materials containing artificial holes. These model materials were fabricated using a femtosecond laser coupled with a diffusion bonding technique to obtain voids in the interior of titanium samples. Changes in void dimensions during in-situ straining were recorded in three dimensions using x-ray computed tomography. Void growth obtained experimentally was compared with the Rice and Tracey model which predicted well the average void growth. A large scatter in void growth data was explained by differences in grain orientation which was confirmed by crystal plasticity simulations. It was also shown that grain orientation has a stronger effect on void growth than intervoid spacing and material strength. Intervoid spacing, however, appears to control whether the intervoid ligament failure is ductile or brittle.

  16. PROTOPLANETARY DISK STRUCTURE WITH GRAIN EVOLUTION: THE ANDES MODEL

    International Nuclear Information System (INIS)

    Akimkin, V.; Wiebe, D.; Pavlyuchenkov, Ya.; Zhukovska, S.; Semenov, D.; Henning, Th.; Vasyunin, A.; Birnstiel, T.

    2013-01-01

    We present a self-consistent model of a protoplanetary disk: 'ANDES' ('AccretioN disk with Dust Evolution and Sedimentation'). ANDES is based on a flexible and extendable modular structure that includes (1) a 1+1D frequency-dependent continuum radiative transfer module, (2) a module to calculate the chemical evolution using an extended gas-grain network with UV/X-ray-driven processes and surface reactions, (3) a module to calculate the gas thermal energy balance, and (4) a 1+1D module that simulates dust grain evolution. For the first time, grain evolution and time-dependent molecular chemistry are included in a protoplanetary disk model. We find that grain growth and sedimentation of large grains onto the disk midplane lead to a dust-depleted atmosphere. Consequently, dust and gas temperatures become higher in the inner disk (R ∼ 50 AU), in comparison with the disk model with pristine dust. The response of disk chemical structure to the dust growth and sedimentation is twofold. First, due to higher transparency a partly UV-shielded molecular layer is shifted closer to the dense midplane. Second, the presence of big grains in the disk midplane delays the freeze-out of volatile gas-phase species such as CO there, while in adjacent upper layers the depletion is still effective. Molecular concentrations and thus column densities of many species are enhanced in the disk model with dust evolution, e.g., CO 2 , NH 2 CN, HNO, H 2 O, HCOOH, HCN, and CO. We also show that time-dependent chemistry is important for a proper description of gas thermal balance.

  17. Growth Model and Metabolic Activity of Brewing Yeast Biofilm on the Surface of Spent Grains: A Biocatalyst for Continuous Beer Fermentation

    Czech Academy of Sciences Publication Activity Database

    Brányik, T.; Vicente, A. A.; Kuncová, Gabriela; Podrazký, Ondřej; Dostálek, P.; Teixeira, J. A.

    2004-01-01

    Roč. 6, č. 20 (2004), s. 1733-1740 ISSN 8756-7938. [International Congress of Chemical and Process Engineering CHISA 2004 /16./. Praha, 22.08.2004-26.08.2004] Grant - others:SFRH(PT) BPD/3541/2000 Institutional research plan: CEZ:AV0Z4072921 Keywords : growth model * beer fermentation * immobilized cells Subject RIV: CE - Biochemistry Impact factor: 1.635, year: 2004

  18. Investigation of grain competitive growth during directional solidification of single-crystal nickel-based superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Xinbao [National Energy R and D Center of Clean and High-Efficiency Fossil-Fired Power Generation Technology, Xi' an Thermal Power Research Institute Co. Ltd., Xi' an (China); Northwestern Polytechnical University, State Key Laboratory of Solidification Processing, Xi' an (China); Liu, Lin; Zhang, Jun [Northwestern Polytechnical University, State Key Laboratory of Solidification Processing, Xi' an (China)

    2015-08-15

    Grain competitive growth of nickel-based single-crystal superalloys during directional solidification was investigated. A detailed characterization of bi-crystals' competitive growth was performed to explore the competitive grain evolution. It was found that high withdrawal rate improved the efficiency of grain competitive growth. The overgrowth rate was increased when the misorientation increased. Four patterns of grain competitive growth with differently oriented dispositions were characterized. The results indicated that the positive branching of the dendrites played a significant role in the competitive growth process. The effect of crystal orientation and heat flow on the competitive growth can be attributed to the blocking mechanism between the adjacent grains. (orig.)

  19. Accretion growth of water-ice grains in astrophysically-relevant dusty plasma experiment

    Science.gov (United States)

    Chai, Kil-Byoung; Marshall, Ryan; Bellan, Paul

    2016-10-01

    The grain growth process in the Caltech water-ice dusty plasma experiment has been studied using a high-speed camera equipped with a long-distance microscope lens. It is found that (i) the ice grain number density decreases four-fold as the average grain length increases from 20 to 80 um, (ii) the ice grain length has a log-normal distribution rather than a power-law dependence, and (iii) no collisions between ice grains are apparent. The grains have a large negative charge so the agglomeration growth is prevented by their strong mutual repulsion. It is concluded that direct accretion of water molecules is in good agreement with the observed ice grain growth. The volumetric packing factor of the ice grains must be less than 0.25 in order for the grain kinetic energy to be sufficiently small to prevent collisions between ice grains; this conclusion is consistent with ice grain images showing a fractal character.

  20. Ultra-large single crystals by abnormal grain growth.

    Science.gov (United States)

    Kusama, Tomoe; Omori, Toshihiro; Saito, Takashi; Kise, Sumio; Tanaka, Toyonobu; Araki, Yoshikazu; Kainuma, Ryosuke

    2017-08-25

    Producing a single crystal is expensive because of low mass productivity. Therefore, many metallic materials are being used in polycrystalline form, even though material properties are superior in a single crystal. Here we show that an extraordinarily large Cu-Al-Mn single crystal can be obtained by abnormal grain growth (AGG) induced by simple heat treatment with high mass productivity. In AGG, the sub-boundary energy introduced by cyclic heat treatment (CHT) is dominant in the driving pressure, and the grain boundary migration rate is accelerated by repeating the low-temperature CHT due to the increase of the sub-boundary energy. With such treatment, fabrication of single crystal bars 70 cm in length is achieved. This result ensures that the range of applications of shape memory alloys will spread beyond small-sized devices to large-scale components and may enable new applications of single crystals in other metallic and ceramics materials having similar microstructural features.Growing large single crystals cheaply and reliably for structural applications remains challenging. Here, the authors combine accelerated abnormal grain growth and cyclic heat treatments to grow a superelastic shape memory alloy single crystal to 70 cm.

  1. Grain Growth and Precipitation Behavior of Iridium Alloy DOP-26 During Long Term Aging

    Energy Technology Data Exchange (ETDEWEB)

    Pierce, Dean T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Muralidharan, Govindarajan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Fox, Ethan E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cox, Victoria A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Geer, Tom [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-05-01

    The influence of long term aging on grain growth and precipitate sizes and spatial distribution in iridium alloy DOP-26 was studied. Samples of DOP-26 were fabricated using the new process, recrystallized for 1 hour (h) at 1375 C, then aged at either 1300, 1400, or 1500 C for times ranging from 50 to 10,000 h. Grain size measurements (vertical and horizontal mean linear intercept and horizontal and vertical projection) and analyses of iridium-thorium precipitates (size and spacing) were made on the longitudinal, transverse, and rolling surfaces of the as-recrystallized and aged specimens from which the two-dimensional spatial distribution and mean sizes of the precipitates were obtained. The results obtained from this study are intended to provide input to grain growth models.

  2. Establishment of Grain Farmers' Supply Response Model and Empirical Analysis under Minimum Grain Purchase Price Policy

    OpenAIRE

    Zhang, Shuang

    2012-01-01

    Based on farmers' supply behavior theory and price expectations theory, this paper establishes grain farmers' supply response model of two major grain varieties (early indica rice and mixed wheat) in the major producing areas, to test whether the minimum grain purchase price policy can have price-oriented effect on grain production and supply in the major producing areas. Empirical analysis shows that the minimum purchase price published annually by the government has significant positive imp...

  3. Grain breakage under uniaxial compression, through 3D DEM modelling

    Directory of Open Access Journals (Sweden)

    Nader François

    2017-01-01

    Full Text Available A breakable grain model is presented, using the concept of particles assembly. Grains of polyhedral shapes are generated, formed by joining together tetrahedral subgrains using cohesive bonds. Single grain crushing simulations are performed for multiple values of the intra-granular cohesion to study the effect on the grain’s strength. The same effect of intra-granular cohesion is studied under oedometric compression on samples of around 800 grains, which allows the evaluation of grain breakage model on the macroscopic behaviour. Grain size distribution curves and grain breakage ratios are monitored throughout the simulations.

  4. The growth mechanism of grain boundary carbide in Alloy 690

    International Nuclear Information System (INIS)

    Li, Hui; Xia, Shuang; Zhou, Bangxin; Peng, Jianchao

    2013-01-01

    The growth mechanism of grain boundary M 23 C 6 carbides in nickel base Alloy 690 after aging at 715 °C was investigated by high resolution transmission electron microscopy. The grain boundary carbides have coherent orientation relationship with only one side of the matrix. The incoherent phase interface between M 23 C 6 and matrix was curved, and did not lie on any specific crystal plane. The M 23 C 6 carbide transforms from the matrix phase directly at the incoherent interface. The flat coherent phase interface generally lies on low index crystal planes, such as (011) and (111) planes. The M 23 C 6 carbide transforms from a transition phase found at curved coherent phase interface. The transition phase has a complex hexagonal crystal structure, and has coherent orientation relationship with matrix and M 23 C 6 : (111) matrix //(0001) transition //(111) carbide , ¯ > matrix // ¯ 10> transition // ¯ > carbide . The crystal lattice constants of transition phase are c transition =√(3)×a matrix and a transition =√(6)/2×a matrix . Based on the experimental results, the growth mechanism of M 23 C 6 and the formation mechanism of transition phase are discussed. - Highlights: • A transition phase was observed at the coherent interfaces of M 23 C 6 and matrix. • The transition phase has hexagonal structure, and is coherent with matrix and M 23 C 6 . • The M 23 C 6 transforms from the matrix directly at the incoherent phase interface

  5. A constitutive model of nanocrystalline metals based on competing grain boundary and grain interior deformation mechanisms

    KAUST Repository

    Gurses, Ercan

    2011-12-01

    In this work, a viscoplastic constitutive model for nanocrystalline metals is presented. The model is based on competing grain boundary and grain interior deformation mechanisms. In particular, inelastic deformations caused by grain boundary diffusion, grain boundary sliding and dislocation activities are considered. Effects of pressure on the grain boundary diffusion and sliding mechanisms are taken into account. Furthermore, the influence of grain size distribution on macroscopic response is studied. The model is shown to capture the fundamental mechanical characteristics of nanocrystalline metals. These include grain size dependence of the strength, i.e., both the traditional and the inverse Hall-Petch effects, the tension-compression asymmetry and the enhanced rate sensitivity. © 2011 Elsevier B.V. All rights reserved.

  6. Grain growth in thoria and thoria-base fuel pellets (LWBR development program)

    Energy Technology Data Exchange (ETDEWEB)

    Smid, R.J.

    1976-01-01

    The kinetics of grain growth in ThO/sub 2/-base sintered compacts were investigated to determine the cause of a nonuniform microstructural cross section. It was concluded that trace impurities which inhibit continuous grain growth at the pellet interior were removed by vaporization at the pellet exterior. This resulted in relatively normal grain growth at the pellet surface and discontinuous grain growth at the pellet interior. Calcining the starting ThO/sub 2/ powder to a slightly higher temperature removed inhibiting impurities but also decreased the driving force for grain growth by reducing the surface area of the powder. Mixing high and low temperature calcined ThO/sub 2/ resulted in improved grain growth. Increased oxygen partial pressure and temperature during sintering increased grain boundary mobility in spite of the inhibiting impurity. The specific inhibiting impurity was not isolated during this investigation.

  7. Three dimensional grain boundary modeling in polycrystalline plasticity

    Science.gov (United States)

    Yalçinkaya, Tuncay; Özdemir, Izzet; Fırat, Ali Osman

    2018-05-01

    At grain scale, polycrystalline materials develop heterogeneous plastic deformation fields, localizations and stress concentrations due to variation of grain orientations, geometries and defects. Development of inter-granular stresses due to misorientation are crucial for a range of grain boundary (GB) related failure mechanisms, such as stress corrosion cracking (SCC) and fatigue cracking. Local crystal plasticity finite element modelling of polycrystalline metals at micron scale results in stress jumps at the grain boundaries. Moreover, the concepts such as the transmission of dislocations between grains and strength of the grain boundaries are not included in the modelling. The higher order strain gradient crystal plasticity modelling approaches offer the possibility of defining grain boundary conditions. However, these conditions are mostly not dependent on misorientation of grains and can define only extreme cases. For a proper definition of grain boundary behavior in plasticity, a model for grain boundary behavior should be incorporated into the plasticity framework. In this context, a particular grain boundary model ([l]) is incorporated into a strain gradient crystal plasticity framework ([2]). In a 3-D setting, both bulk and grain boundary models are implemented as user-defined elements in Abaqus. The strain gradient crystal plasticity model works in the bulk elements and considers displacements and plastic slips as degree of freedoms. Interface elements model the plastic slip behavior, yet they do not possess any kind of mechanical cohesive behavior. The physical aspects of grain boundaries and the performance of the model are addressed through numerical examples.

  8. Experimental studies of Micro- and Nano-grained UO2: Grain Growth Behavior, Sufrace Morphology, and Fracture Toughness

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States); Mo, Kun [Argonne National Lab. (ANL), Argonne, IL (United States); Jamison, Laura M. [Argonne National Lab. (ANL), Argonne, IL (United States); Lian, Jie [Rensselaer Polytechnic Inst., Troy, NY (United States); Yao, Tiankai [Rensselaer Polytechnic Inst., Troy, NY (United States); Bhattacharya, Sumit [Argonne National Lab. (ANL), Argonne, IL (United States); Northwestern Univ., Evanston, IL (United States)

    2016-01-01

    This activity is supported by the US Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Product Line (FPL) and aims at providing experimental data for the validation of the mesoscale simulation code MARMOT. MARMOT is a mesoscale multiphysics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. It is an important component of the Moose-Bison-Marmot (MBM) code suite that has been developed by Idaho National Laboratory (INL) to enable next generation fuel performance modeling capability as part of the NEAMS Program FPL. In order to ensure the accuracy of the microstructure-based materials models being developed within the MARMOT code, extensive validation efforts must be carried out. In this report, we summarize the experimental efforts in FY16 including the following important experiments: (1) in-situ grain growth measurement of nano-grained UO2; (2) investigation of surface morphology in micrograined UO2; (3) Nano-indentation experiments on nano- and micro-grained UO2. The highlight of this year is: we have successfully demonstrated our capability to in-situ measure grain size development while maintaining the stoichiometry of nano-grained UO2 materials; the experiment is, for the first time, using synchrotron X-ray diffraction to in-situ measure grain growth behavior of UO2.

  9. PREDICTION MODELS OF GRAIN YIELD AND CHARACTERIZATION

    Directory of Open Access Journals (Sweden)

    Narciso Ysac Avila Serrano

    2009-06-01

    Full Text Available With the objective to characterize the grain yield of five cowpea cultivars and to find linear regression models to predict it, a study was developed in La Paz, Baja California Sur, Mexico. A complete randomized blocks design was used. Simple and multivariate analyses of variance were carried out using the canonical variables to characterize the cultivars. The variables cluster per plant, pods per plant, pods per cluster, seeds weight per plant, seeds hectoliter weight, 100-seed weight, seeds length, seeds wide, seeds thickness, pods length, pods wide, pods weight, seeds per pods, and seeds weight per pods, showed significant differences (P≤ 0.05 among cultivars. Paceño and IT90K-277-2 cultivars showed the higher seeds weight per plant. The linear regression models showed correlation coefficients ≥0.92. In these models, the seeds weight per plant, pods per cluster, pods per plant, cluster per plant and pods length showed significant correlations (P≤ 0.05. In conclusion, the results showed that grain yield differ among cultivars and for its estimation, the prediction models showed determination coefficients highly dependable.

  10. The relevance of grain dissection for grain size reduction in polar ice: insights from numerical models and ice core microstructure analysis

    Science.gov (United States)

    Steinbach, Florian; Kuiper, Ernst-Jan N.; Eichler, Jan; Bons, Paul D.; Drury, Martyn R.; Griera, Albert; Pennock, Gill M.; Weikusat, Ilka

    2017-09-01

    The flow of ice depends on the properties of the aggregate of individual ice crystals, such as grain size or lattice orientation distributions. Therefore, an understanding of the processes controlling ice micro-dynamics is needed to ultimately develop a physically based macroscopic ice flow law. We investigated the relevance of the process of grain dissection as a grain-size-modifying process in natural ice. For that purpose, we performed numerical multi-process microstructure modelling and analysed microstructure and crystallographic orientation maps from natural deep ice-core samples from the North Greenland Eemian Ice Drilling (NEEM) project. Full crystallographic orientations measured by electron backscatter diffraction (EBSD) have been used together with c-axis orientations using an optical technique (Fabric Analyser). Grain dissection is a feature of strain-induced grain boundary migration. During grain dissection, grain boundaries bulge into a neighbouring grain in an area of high dislocation energy and merge with the opposite grain boundary. This splits the high dislocation-energy grain into two parts, effectively decreasing the local grain size. Currently, grain size reduction in ice is thought to be achieved by either the progressive transformation from dislocation walls into new high-angle grain boundaries, called subgrain rotation or polygonisation, or bulging nucleation that is assisted by subgrain rotation. Both our time-resolved numerical modelling and NEEM ice core samples show that grain dissection is a common mechanism during ice deformation and can provide an efficient process to reduce grain sizes and counter-act dynamic grain-growth in addition to polygonisation or bulging nucleation. Thus, our results show that solely strain-induced boundary migration, in absence of subgrain rotation, can reduce grain sizes in polar ice, in particular if strain energy gradients are high. We describe the microstructural characteristics that can be used to

  11. The Relevance of Grain Dissection for Grain Size Reduction in Polar Ice: Insights from Numerical Models and Ice Core Microstructure Analysis

    Directory of Open Access Journals (Sweden)

    Florian Steinbach

    2017-09-01

    Full Text Available The flow of ice depends on the properties of the aggregate of individual ice crystals, such as grain size or lattice orientation distributions. Therefore, an understanding of the processes controlling ice micro-dynamics is needed to ultimately develop a physically based macroscopic ice flow law. We investigated the relevance of the process of grain dissection as a grain-size-modifying process in natural ice. For that purpose, we performed numerical multi-process microstructure modeling and analyzed microstructure and crystallographic orientation maps from natural deep ice-core samples from the North Greenland Eemian Ice Drilling (NEEM project. Full crystallographic orientations measured by electron backscatter diffraction (EBSD have been used together with c-axis orientations using an optical technique (Fabric Analyser. Grain dissection is a feature of strain-induced grain boundary migration. During grain dissection, grain boundaries bulge into a neighboring grain in an area of high dislocation energy and merge with the opposite grain boundary. This splits the high dislocation-energy grain into two parts, effectively decreasing the local grain size. Currently, grain size reduction in ice is thought to be achieved by either the progressive transformation from dislocation walls into new high-angle grain boundaries, called subgrain rotation or polygonisation, or bulging nucleation that is assisted by subgrain rotation. Both our time-resolved numerical modeling and NEEM ice core samples show that grain dissection is a common mechanism during ice deformation and can provide an efficient process to reduce grain sizes and counter-act dynamic grain-growth in addition to polygonisation or bulging nucleation. Thus, our results show that solely strain-induced boundary migration, in absence of subgrain rotation, can reduce grain sizes in polar ice, in particular if strain energy gradients are high. We describe the microstructural characteristics that can be

  12. The coupled kinetics of grain growth and fission product behavior in nuclear fuel under degraded-core accident conditions

    International Nuclear Information System (INIS)

    Rest, J.

    1985-01-01

    The theoretical FASTGRASS-VFP model has been used in the interpretation of fission gas, iodine, and cesium release from (1) irradiated high-burnup LWR fuel in a flowing steam atmosphere during high-temperature, in-cell heating tests (performed at Oak Ridge National Laboratory) and (2) trace-irratiated LWR fuel during severe-fuel-damage (SFD) tests (performed in the PBF reactor in Idaho). A theory of grain boundary sweeping of gas bubbles has been included within the FASTGRASS-VFP formalism. This theory considers the interaction between the moving grain boundary and two distinct size classes of bubbles, those on grain faces and on grain edges, and provides a means of determining whether gas bubbles are caught up and moved along by a moving grain boundary or whether the grain boundary is only temporarily retarded by the bubbles and then breaks away. In addition, as FASTGRASS-VFP provides for a mechanistic calculation of intra- and intergranular fission product behavior, the coupled calculation between fission gas behavior and grain growth is kinetically comprehensive. Results of the analyses demonstrate that intragranular fission product behavior during both types of tests can be interpreted in terms of a grain-growth/grain-boundary-sweeping mechanism that enhances the flow of fission products from within the grains to the grain boundaries. The effect of fuel oxidation by steam on fission product and grain growth behavior is also considered. The FASTGRASS-VFP predictions, measured release rates from the above tests, and previously published release rates are compared and differences between fission product behavior in trace-irradiated and in high-burnup fuel are highlighted. (orig.)

  13. CONSTRAINTS ON THE RADIAL VARIATION OF GRAIN GROWTH IN THE AS 209 CIRCUMSTELLAR DISK

    International Nuclear Information System (INIS)

    Pérez, Laura M.; Carpenter, John M.; Isella, Andrea; Ricci, Luca; Sargent, Anneila I.; Chandler, Claire J.; Andrews, Sean M.; Harris, Robert J.; Calvet, Nuria; Corder, Stuartt A.; Deller, Adam T.; Dullemond, Cornelis P.; Linz, Hendrik; Greaves, Jane S.; Henning, Thomas; Kwon, Woojin; Lazio, Joseph; Mundy, Lee G.; Storm, Shaye; Testi, Leonardo

    2012-01-01

    We present dust continuum observations of the protoplanetary disk surrounding the pre-main-sequence star AS 209, spanning more than an order of magnitude in wavelength from 0.88 to 9.8 mm. The disk was observed with subarcsecond angular resolution (0.''2-0.''5) to investigate radial variations in its dust properties. At longer wavelengths, the disk emission structure is notably more compact, providing model-independent evidence for changes in the grain properties across the disk. We find that physical models which reproduce the disk emission require a radial dependence of the dust opacity κ ν . Assuming that the observed wavelength-dependent structure can be attributed to radial variations in the dust opacity spectral index (β), we find that β(R) increases from β 1.5 for R ∼> 80 AU, inconsistent with a constant value of β across the disk (at the 10σ level). Furthermore, if radial variations of κ ν are caused by particle growth, we find that the maximum size of the particle-size distribution (a max ) increases from submillimeter-sized grains in the outer disk (R ∼> 70 AU) to millimeter- and centimeter-sized grains in the inner disk regions (R ∼ max (R) with predictions from physical models of dust evolution in protoplanetary disks. For the dust composition and particle-size distribution investigated here, our observational constraints on a max (R) are consistent with models where the maximum grain size is limited by radial drift.

  14. Growth order and activation energies for grain growth of Ti-6Al-4V alloy in β phase

    International Nuclear Information System (INIS)

    Gil, F.J.; Planell, J.A.

    1991-01-01

    This paper reports that one of the reasons usually stated for avoiding annealing treatments and hot working of Ti-6Al-4V alloy at temperatures over the β transus is the large grain growth which takes place at such temperatures. The aim of the present work is to quantify the grain growth kinetics when the alloy is heat treated in its β phase. It is well known that the driving force for grain growth comes from the surface energy of the grain boundaries. When thermal energy is given to the material, diffusion takes place which leads to grain selection. This means that the number of grains decreases, their size increases, the area of the grain boundaries decreases with the total energy stored in them and consequently a state of higher thermodynamic stability is reached

  15. Response of wheat growth, grain yield and water use to elevated CO2 under a Free-Air CO2 Enrichment (FACE) experiment and modelling in a semi-arid environment.

    Science.gov (United States)

    O'Leary, Garry J; Christy, Brendan; Nuttall, James; Huth, Neil; Cammarano, Davide; Stöckle, Claudio; Basso, Bruno; Shcherbak, Iurii; Fitzgerald, Glenn; Luo, Qunying; Farre-Codina, Immaculada; Palta, Jairo; Asseng, Senthold

    2014-12-05

    The response of wheat crops to elevated CO 2 (eCO 2 ) was measured and modelled with the Australian Grains Free-Air CO 2 Enrichment experiment, located at Horsham, Australia. Treatments included CO 2 by water, N and temperature. The location represents a semi-arid environment with a seasonal VPD of around 0.5 kPa. Over 3 years, the observed mean biomass at anthesis and grain yield ranged from 4200 to 10 200 kg ha -1 and 1600 to 3900 kg ha -1 , respectively, over various sowing times and irrigation regimes. The mean observed response to daytime eCO 2 (from 365 to 550 μmol mol -1 CO 2 ) was relatively consistent for biomass at stem elongation and at anthesis and LAI at anthesis and grain yield with 21%, 23%, 21% and 26%, respectively. Seasonal water use was decreased from 320 to 301 mm (P = 0.10) by eCO 2 , increasing water use efficiency for biomass and yield, 36% and 31%, respectively. The performance of six models (APSIM-Wheat, APSIM-Nwheat, CAT-Wheat, CROPSYST, OLEARY-CONNOR and SALUS) in simulating crop responses to eCO 2 was similar and within or close to the experimental error for accumulated biomass, yield and water use response, despite some variations in early growth and LAI. The primary mechanism of biomass accumulation via radiation use efficiency (RUE) or transpiration efficiency (TE) was not critical to define the overall response to eCO 2 . However, under irrigation, the effect of late sowing on response to eCO 2 to biomass accumulation at DC65 was substantial in the observed data (~40%), but the simulated response was smaller, ranging from 17% to 28%. Simulated response from all six models under no water or nitrogen stress showed similar response to eCO 2 under irrigation, but the differences compared to the dryland treatment were small. Further experimental work on the interactive effects of eCO 2 , water and temperature is required to resolve these model discrepancies. © 2014 John Wiley & Sons Ltd.

  16. Towards modeling intergranular stress corrosion cracks on grain size scales

    International Nuclear Information System (INIS)

    Simonovski, Igor; Cizelj, Leon

    2012-01-01

    Highlights: ► Simulating the onset and propagation of intergranular cracking. ► Model based on the as-measured geometry and crystallographic orientations. ► Feasibility, performance of the proposed computational approach demonstrated. - Abstract: Development of advanced models at the grain size scales has so far been mostly limited to simulated geometry structures such as for example 3D Voronoi tessellations. The difficulty came from a lack of non-destructive techniques for measuring the microstructures. In this work a novel grain-size scale approach for modelling intergranular stress corrosion cracking based on as-measured 3D grain structure of a 400 μm stainless steel wire is presented. Grain topologies and crystallographic orientations are obtained using a diffraction contrast tomography, reconstructed within a detailed finite element model and coupled with advanced constitutive models for grains and grain boundaries. The wire is composed of 362 grains and over 1600 grain boundaries. Grain boundary damage initialization and early development is then explored for a number of cases, ranging from isotropic elasticity up to crystal plasticity constitutive laws for the bulk grain material. In all cases the grain boundaries are modeled using the cohesive zone approach. The feasibility of the approach is explored.

  17. Direct observation of densification and grain growth in a W--Ni alloy

    International Nuclear Information System (INIS)

    Riegger, H.; Pask, J.A.; Exner, H.E.

    1979-04-01

    Densification and grain growth in a tungsten--nickel alloy containing 32 vol % of liquid at 1550 0 C were studied by conventional methods aided by hot stage scanning electron microscopy and cinematography. This technique yields important additional qualitative information on the mechanisms. Two stages can be discerned. In stage 1, essentially complete pore elimination, rapid grain growth and adjustment of microstructural geometry take place. In the second stage, microstructure coarsening occurs which is characterized by geometric similarity. Columnar grain growth at the surface is observed due to squeezing out of Ni--W liquid, flooding of surface grains and fast evaporation of the Ni. The driving forces for these processes are discussed showing that a high ratio of grain boundary energy to liquid surface energy is essential. A W--Cu alloy with 32 vol % liquid at 1100 0 C did not show any grain growth due to essentially no solubility of W in Cu at this temperature

  18. Dynamic grain growth in superplastic Y-TZP and Al2O3/YTZ

    International Nuclear Information System (INIS)

    Nieh, T.G.; Tomasello, C.M.; Wadsworth, J.

    1990-01-01

    This paper reports that both static and dynamic grain growth have been studied during superplastic deformation of fine-grained yttria-stabilized tetragonal zirconia (Y-TZP) and alumina reinforced yttria-stabilized tetragonal zirconia (Al 2 O 3 /YTZ). Grain growth was observed in both materials at temperatures above 1350 degrees C. In the case of Y-TZP, both static and dynamic grain growth were found to obey a similar equation of the form: D 3 -D 0 3 = kt where D is the instantaneous grain size, D 0 is the initial grain size, t is the time, and k is a kinetic constant which depends primarily on temperature and grain boundary energy. The activation energies for Y-TZP were approximately 580 and 520 kJ/mol, for static and dynamic grain growth, respectively. In the case of Al 2 O 3 /YTZ, it was found that the grain growth rate for the Al 2 O 3 phase was slower than that for the ZrO 2 phase. The growth rate of the ZrO 2 phase in Al 2 O 3 /YTZ is, however, similar to that in monolithic ZrO 2 i.e., Y-TZP

  19. Growth of preexisting abnormal grains in molybdenum under static and dynamic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Noell, Philip J. [Sandia National Laboratories, P.O. Box 5800, Albuquerque, NM 87185-0889 (United States); Worthington, Daniel L. [Verily Life Sciences, 269 E. Grand Ave., South San Francisco, CA 94080, USA (United States); Taleff, Eric M., E-mail: taleff@utexas.edu [The University of Texas at Austin, Department of Mechanical Engineering, 204 East Dean Keeton St., Stop C2200, Austin, TX 78712 (United States)

    2017-04-24

    This investigation compares the growth rates of preexisting abnormal grains under both static and dynamic conditions. Abnormal grains several millimeters in length were produced in two commercial-purity molybdenum (Mo) materials by tensile straining at temperatures from 1923 to 2073 K (1650–1800 °C). This process is termed dynamic abnormal grain growth (DAGG) because it produces abnormal grains during concurrent plastic straining. DAGG creates abnormal grains at much lower temperatures than does static abnormal grain growth (SAGG). Abnormal grains created through DAGG were characterized with their surrounding microstructures and were then subjected to annealing treatments. Only one-third of the preexisting abnormal grains subsequently grew by SAGG. Among these, SAGG occurred only in those specimens that required the largest strains to initiate DAGG when creating the abnormal grain(s). The rates of boundary migration observed for SAGG were approximately two orders of magnitude slower than those for DAGG. When DAGG in one specimen was interrupted by extended static annealing, it did not recur when straining resumed. The dislocation substructure developed during hot deformation, which includes subgrains typical of five-power creep, is critically important to both DAGG and SAGG of preexisting abnormal grains under the conditions examined.

  20. Grain growth kinetics and electrical properties of lanthanum modified lead zirconate titanate (9/65/35) based ferroelectric ceramics

    International Nuclear Information System (INIS)

    Roca, R. Alvarez; Guerrero, F.; Botero, E. R.; Garcia, D.; Eiras, J. A.; Guerra, J. D. S.

    2009-01-01

    The influence of the microstructural characteristics on the dielectric and electrical properties has been investigated for Nd 3+ doped lanthanum modified lead zirconate titanate ferroelectric ceramics, obtained by the conventional solid-state reaction method, by taking into account different sintering conditions. The grain growth mechanism has been investigated and a cubic-type grain growth law was observed for samples with grain size varying from 1.00 up to 2.35 μm. The porosity and grain size dependences of the phase transition parameters, such as the maximum dielectric permittivity and its corresponding temperature (ε m and T m , respectively) were also investigated. The ac conductivity analyses followed the universal Jonscher law. The behavior of the frequency exponent (s) was analyzed through the correlated barrier hopping model. Both ac and dc conductivity results have been correlated with the observed microstructural features

  1. Coarse-Grained Modeling of Polyelectrolyte Solutions

    Science.gov (United States)

    Denton, Alan R.; May, Sylvio

    2014-03-01

    Ionic mixtures, such as electrolyte and polyelectrolyte solutions, have attracted much attention recently for their rich and challenging combination of electrostatic and non-electrostatic interparticle forces and their practical importance, from battery technologies to biological systems. Hydration of ions in aqueous solutions is known to entail ion-specific effects, including variable solubility of organic molecules, as manifested in the classic Hofmeister series for salting-in and salting-out of proteins. The physical mechanism by which the solvent (water) mediates effective interactions between ions, however, is still poorly understood. Starting from a microscopic model of a polyelectrolyte solution, we apply a perturbation theory to derive a coarse-grained model of ions interacting through both long-range electrostatic and short-range solvent-induced pair potentials. Taking these effective interactions as input to molecular dynamics simulations, we calculate structural and thermodynamic properties of aqueous ionic solutions. This work was supported by the National Science Foundation under Grant No. DMR-1106331.

  2. Urban tree growth modeling

    Science.gov (United States)

    E. Gregory McPherson; Paula J. Peper

    2012-01-01

    This paper describes three long-term tree growth studies conducted to evaluate tree performance because repeated measurements of the same trees produce critical data for growth model calibration and validation. Several empirical and process-based approaches to modeling tree growth are reviewed. Modeling is more advanced in the fields of forestry and...

  3. Abnormal grain growth in Eurofer-97 steel in the ferrite phase field

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, V.B. [Lorena School of Engineering, University of Sao Paulo, Lorena, SP, 12602-810 (Brazil); Sandim, H.R.Z., E-mail: hsandim@demar.eel.usp.br [Lorena School of Engineering, University of Sao Paulo, Lorena, SP, 12602-810 (Brazil); Raabe, D. [Max-Planck-Institut für Eisenforschung, Düsseldorf, D-40237 (Germany)

    2017-03-15

    Reduced-activation ferritic-martensitic (RAFM) Eurofer-97 steel is a candidate material for structural applications in future fusion reactors. Depending on the amount of prior cold rolling strain and annealing temperature, important solid-state softening reactions such as recovery, recrystallization, and grain growth occur. Eurofer-97 steel was cold rolled up to 70, 80 and 90% reductions in thickness and annealed in the ferrite phase field (below ≈ 800 °C). Changes in microstructure, micro-, and mesotexture were followed by orientation mappings provided by electron backscatter diffraction (EBSD). Eurofer-97 steel undergoes abnormal grain growth above 650 °C and this solid-state reaction seems to be closely related to the high mobility of a few special grain boundaries that overcome pinning effects caused by fine particles. This solid-state reaction promotes important changes in the microstructure and microtexture of this steel. Abnormal grain growth kinetics for each condition was determined by means of quantitative metallography. - Highlights: • Abnormal grain growth (AGG) occurs in Eurofer-97 steel deformed to several strains. • Kinetics of abnormal grain growth has been determined at 750 and 800 °C. • Significant changes in crystallographic texture take place during AGG. • Grain boundaries with misorientations above 45° may explain abnormal grain growth. • Local microstructural instabilities (coarsening of M23C6 carbides) also explain AGG.

  4. A UNIFIED MODEL OF GRAIN ALIGNMENT: RADIATIVE ALIGNMENT OF INTERSTELLAR GRAINS WITH MAGNETIC INCLUSIONS

    Energy Technology Data Exchange (ETDEWEB)

    Hoang, Thiem [Canadian Institute for Theoretical Astrophysics, University of Toronto, 60 St. George Street, Toronto, ON M5S 3H8 (Canada); Lazarian, A. [Department of Astronomy, University of Wisconsin-Madison (United States)

    2016-11-10

    The radiative torque (RAT) alignment of interstellar grains with ordinary paramagnetic susceptibilities has been supported by earlier studies. The alignment of such grains depends on the so-called RAT parameter q {sup max}, which is determined by the grain shape. In this paper, we elaborate on our model of RAT alignment for grains with enhanced magnetic susceptibility due to iron inclusions, such that RAT alignment is magnetically enhanced, which we term the MRAT mechanism. Such grains can be aligned with high angular momentum at the so-called high- J attractor points, achieving a high degree of alignment. Using our analytical model of RATs, we derive the critical value of the magnetic relaxation parameter δ {sub m} to produce high- J attractor points as functions of q {sup max} and the anisotropic radiation angle relative to the magnetic field ψ . We find that if about 10% of the total iron abundance present in silicate grains is forming iron clusters, this is sufficient to produce high- J attractor points for all reasonable values of q {sup max}. To calculate the degree of grain alignment, we carry out numerical simulations of MRAT alignment by including stochastic excitations from gas collisions and magnetic fluctuations. We show that large grains can achieve perfect alignment when the high- J attractor point is present, regardless of the values of q {sup max}. Our obtained results pave the way for the physical modeling of polarized thermal dust emission as well as magnetic dipole emission. We also find that millimeter-sized grains in accretion disks may be aligned with the magnetic field if they are incorporated with iron nanoparticles.

  5. Identification of Accretion as Grain Growth Mechanism in Astrophysically Relevant Water&ice Dusty Plasma Experiment

    Science.gov (United States)

    Marshall, Ryan S.; Chai, Kil-Byoung; Bellan, Paul M.

    2017-03-01

    The grain growth process in the Caltech water-ice dusty plasma experiment has been studied using a high-speed camera and a long-distance microscope lens. It is observed that (I) the ice grain number density decreases fourfold as the average grain major axis increases from 20 to 80 μm, (II) the major axis length has a log-normal distribution rather than a power-law dependence, and (III) no collisions between ice grains are apparent. The grains have a large negative charge resulting in strong mutual repulsion and this, combined with the fractal character of the ice grains, prevents them from agglomerating. In order for the grain kinetic energy to be sufficiently small to prevent collisions between ice grains, the volumetric packing factor (I.e., ratio of the actual volume to the volume of a circumscribing ellipsoid) of the ice grains must be less than ˜0.1 depending on the exact relative velocity of the grains in question. Thus, it is concluded that direct accretion of water molecules is very likely to dominate the observed ice grain growth.

  6. Identification of Accretion as Grain Growth Mechanism in Astrophysically Relevant Water–Ice Dusty Plasma Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Marshall, Ryan S.; Chai, Kil-Byoung; Bellan, Paul M. [Applied Physics and Materials Science, Caltech, Pasadena, CA 91125 (United States)

    2017-03-01

    The grain growth process in the Caltech water–ice dusty plasma experiment has been studied using a high-speed camera and a long-distance microscope lens. It is observed that (i) the ice grain number density decreases fourfold as the average grain major axis increases from 20 to 80 μ m, (ii) the major axis length has a log-normal distribution rather than a power-law dependence, and (iii) no collisions between ice grains are apparent. The grains have a large negative charge resulting in strong mutual repulsion and this, combined with the fractal character of the ice grains, prevents them from agglomerating. In order for the grain kinetic energy to be sufficiently small to prevent collisions between ice grains, the volumetric packing factor (i.e., ratio of the actual volume to the volume of a circumscribing ellipsoid) of the ice grains must be less than ∼0.1 depending on the exact relative velocity of the grains in question. Thus, it is concluded that direct accretion of water molecules is very likely to dominate the observed ice grain growth.

  7. SPICE Modeling of Single-Grain Si TFTs using BSIMSOI

    NARCIS (Netherlands)

    Baiano, A.; Ishihara, R.; Saputra, N.; Long, J.; Karaki, N.; Inoue, S.; Metselaar, W.; Beenakker, C.I.M.

    2007-01-01

    Single Grain Thin-film transistors (SG-TFTs) fabricated inside a location-controlled grain by µ-Czochralski process have as high as SOI performance. To model them, BSIMSOI with a proper modification of the mobility is proposed. The model has been verified for n- and p-channel DC and low frequency AC

  8. Grain growth kinetics for B2O3-doped ZnO ceramics

    Directory of Open Access Journals (Sweden)

    Yuksel Berat

    2015-06-01

    Full Text Available Grain growth kinetics in 0.1 to 2 mol % B2O3-added ZnO ceramics was studied by using a simplified phenomenological grain growth kinetics equation Gn = K0 · t · exp(-Q/RT together with the physical properties of sintered samples. The samples, prepared by conventional ceramics processing techniques, were sintered at temperatures between 1050 to 1250 °C for 1, 2, 3, 5 and 10 hours in air. The kinetic grain growth exponent value (n and the activation energy for the grain growth of the 0.1 mol % B2O3-doped ZnO ceramics were found to be 2.8 and 332 kJ/mol, respectively. By increasing B2O3 content to 1 mol %, the grain growth exponent value (n and the activation energy decreased to 2 and 238 kJ/mol, respectively. The XRD study revealed the presence of a second phase, Zn3B2O6 formed when the B2O3 content was > 1 mol %. The formation of Zn3B2O6 phase gave rise to an increase of the grain growth kinetic exponent and the grain growth activation energy. The kinetic grain growth exponent value (n and the activation energy for the grain growth of the 2 mol % B2O3-doped ZnO ceramics were found to be 3 and 307 kJ/mol, respectively. This can be attributed to the second particle drag (pinning mechanism in the liquid phase sintering.

  9. Stochastic simulation of grain growth during continuous casting

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez, A. [Department of Aerounatical Engineering, S.E.P.I., E.S.I.M.E., IPN, Instituto Politecnico Nacional (Unidad Profesional Ticoman), Av. Ticoman 600, Col. Ticoman, C.P.07340 (Mexico)]. E-mail: adalop123@mailbanamex.com; Carrillo, F. [Department of Processing Materials, CICATA-IPN Unidad Altamira Tamps (Mexico); Gonzalez, J.L. [Department of Metallurgy and Materials Engineering, E.S.I.Q.I.E.-IPN (Mexico); Lopez, S. [Department of Molecular Engineering of I.M.P., AP 14-805 (Mexico)

    2006-04-15

    The evolution of microstructure is a very important topic in material science engineering because the solidification conditions of steel billets during continuous casting process affect directly the properties of the final products. In this paper a mathematical model is described in order to simulate the dendritic growth using data of real casting operations; here a combination of deterministic and stochastic methods was used as a function of the solidification time of every node in order to create a reconstruction about the morphology of cast structures.

  10. Stochastic simulation of grain growth during continuous casting

    International Nuclear Information System (INIS)

    Ramirez, A.; Carrillo, F.; Gonzalez, J.L.; Lopez, S.

    2006-01-01

    The evolution of microstructure is a very important topic in material science engineering because the solidification conditions of steel billets during continuous casting process affect directly the properties of the final products. In this paper a mathematical model is described in order to simulate the dendritic growth using data of real casting operations; here a combination of deterministic and stochastic methods was used as a function of the solidification time of every node in order to create a reconstruction about the morphology of cast structures

  11. Film grain noise modeling in advanced video coding

    Science.gov (United States)

    Oh, Byung Tae; Kuo, C.-C. Jay; Sun, Shijun; Lei, Shawmin

    2007-01-01

    A new technique for film grain noise extraction, modeling and synthesis is proposed and applied to the coding of high definition video in this work. The film grain noise is viewed as a part of artistic presentation by people in the movie industry. On one hand, since the film grain noise can boost the natural appearance of pictures in high definition video, it should be preserved in high-fidelity video processing systems. On the other hand, video coding with film grain noise is expensive. It is desirable to extract film grain noise from the input video as a pre-processing step at the encoder and re-synthesize the film grain noise and add it back to the decoded video as a post-processing step at the decoder. Under this framework, the coding gain of the denoised video is higher while the quality of the final reconstructed video can still be well preserved. Following this idea, we present a method to remove film grain noise from image/video without distorting its original content. Besides, we describe a parametric model containing a small set of parameters to represent the extracted film grain noise. The proposed model generates the film grain noise that is close to the real one in terms of power spectral density and cross-channel spectral correlation. Experimental results are shown to demonstrate the efficiency of the proposed scheme.

  12. A highly efficient 3D level-set grain growth algorithm tailored for ccNUMA architecture

    Science.gov (United States)

    Mießen, C.; Velinov, N.; Gottstein, G.; Barrales-Mora, L. A.

    2017-12-01

    A highly efficient simulation model for 2D and 3D grain growth was developed based on the level-set method. The model introduces modern computational concepts to achieve excellent performance on parallel computer architectures. Strong scalability was measured on cache-coherent non-uniform memory access (ccNUMA) architectures. To achieve this, the proposed approach considers the application of local level-set functions at the grain level. Ideal and non-ideal grain growth was simulated in 3D with the objective to study the evolution of statistical representative volume elements in polycrystals. In addition, microstructure evolution in an anisotropic magnetic material affected by an external magnetic field was simulated.

  13. SPECTROSCOPIC INFRARED EXTINCTION MAPPING AS A PROBE OF GRAIN GROWTH IN IRDCs

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Wanggi [Department of Astronomy, University of Florida, Gainesville, FL 32611 (United States); Carey, Sean J. [Infrared Processing Analysis Center, California Institute of Technology, Pasadena, CA 91125 (United States); Tan, Jonathan C. [Departments of Astronomy and Physics, University of Florida, Gainesville, FL 32611 (United States)

    2015-11-20

    We present spectroscopic tests of MIR to FIR extinction laws in IRDC G028.36+00.07, a potential site of massive star and star cluster formation. Lim and Tan developed methods of FIR extinction mapping of this source using Spitzer-MIPS 24 μm and Herschel-PACS 70 μm images, and by comparing to MIR Spitzer-IRAC 3–8 μm extinction maps, found tentative evidence for grain growth in the highest mass surface density regions. Here we present results of spectroscopic infrared extinction mapping using Spitzer-IRS (14–38 μm) data of the same Infrared dark cloud (IRDC). These methods allow us to first measure the SED of the diffuse Galactic interstellar medium that is in the foreground of the IRDC. We then carry out our primary investigation of measuring the MIR to FIR opacity law and searching for potential variations as a function of mass surface density within the IRDC. We find relatively flat, featureless MIR–FIR opacity laws that lack the ∼12 and ∼35 μm features associated with the thick water ice mantle models of Ossenkopf and Henning. Their thin ice mantle models and the coagulating aggregate dust models of Ormel et al. are a generally better match to the observed opacity laws. We also find evidence for generally flatter MIR to FIR extinction laws as mass surface density increases, strengthening the evidence for grain and ice mantle growth in higher density regions.

  14. SPECTROSCOPIC INFRARED EXTINCTION MAPPING AS A PROBE OF GRAIN GROWTH IN IRDCs

    International Nuclear Information System (INIS)

    Lim, Wanggi; Carey, Sean J.; Tan, Jonathan C.

    2015-01-01

    We present spectroscopic tests of MIR to FIR extinction laws in IRDC G028.36+00.07, a potential site of massive star and star cluster formation. Lim and Tan developed methods of FIR extinction mapping of this source using Spitzer-MIPS 24 μm and Herschel-PACS 70 μm images, and by comparing to MIR Spitzer-IRAC 3–8 μm extinction maps, found tentative evidence for grain growth in the highest mass surface density regions. Here we present results of spectroscopic infrared extinction mapping using Spitzer-IRS (14–38 μm) data of the same Infrared dark cloud (IRDC). These methods allow us to first measure the SED of the diffuse Galactic interstellar medium that is in the foreground of the IRDC. We then carry out our primary investigation of measuring the MIR to FIR opacity law and searching for potential variations as a function of mass surface density within the IRDC. We find relatively flat, featureless MIR–FIR opacity laws that lack the ∼12 and ∼35 μm features associated with the thick water ice mantle models of Ossenkopf and Henning. Their thin ice mantle models and the coagulating aggregate dust models of Ormel et al. are a generally better match to the observed opacity laws. We also find evidence for generally flatter MIR to FIR extinction laws as mass surface density increases, strengthening the evidence for grain and ice mantle growth in higher density regions

  15. Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

    KAUST Repository

    Kalligiannaki, Evangelia; Harmandaris, Vagelis; Katsoulakis, Markos A.; Plechac, Petr

    2015-01-01

    We study the application of information theoretic tools for model reduction in the case of systems driven by stochastic dynamics out of equilibrium. The model/dimension reduction is considered by proposing parametrized coarse grained dynamics

  16. Large-scale grain growth in the solid-state process: From "Abnormal" to "Normal"

    Science.gov (United States)

    Jiang, Minhong; Han, Shengnan; Zhang, Jingwei; Song, Jiageng; Hao, Chongyan; Deng, Manjiao; Ge, Lingjing; Gu, Zhengfei; Liu, Xinyu

    2018-02-01

    Abnormal grain growth (AGG) has been a common phenomenon during the ceramic or metallurgy processing since prehistoric times. However, usually it had been very difficult to grow big single crystal (centimeter scale over) by using the AGG method due to its so-called occasionality. Based on the AGG, a solid-state crystal growth (SSCG) method was developed. The greatest advantages of the SSCG technology are the simplicity and cost-effectiveness of the technique. But the traditional SSCG technology is still uncontrollable. This article first summarizes the history and current status of AGG, and then reports recent technical developments from AGG to SSCG, and further introduces a new seed-free, solid-state crystal growth (SFSSCG) technology. This SFSSCG method allows us to repeatedly and controllably fabricate large-scale single crystals with appreciable high quality and relatively stable chemical composition at a relatively low temperature, at least in (K0.5Na0.5)NbO3(KNN) and Cu-Al-Mn systems. In this sense, the exaggerated grain growth is no longer 'Abnormal' but 'Normal' since it is able to be artificially controllable and repeated now. This article also provides a crystal growth model to qualitatively explain the mechanism of SFSSCG for KNN system. Compared with the traditional melt and high temperature solution growth methods, the SFSSCG method has the advantages of low energy consumption, low investment, simple technique, composition homogeneity overcoming the issues with incongruent melting and high volatility. This SFSSCG could be helpful for improving the mechanical and physical properties of single crystals, which should be promising for industrial applications.

  17. Appraisal on Textured Grain Growth and Photoconductivity of ZnO Thin Film SILAR

    Directory of Open Access Journals (Sweden)

    Deepu Thomas

    2014-01-01

    Full Text Available ZnO thin films were prepared by successive ionic layer adsorption reaction (SILAR method. The textured grain growth along c-axis in pure ZnO thin films and doped with Sn was studied. The structural analysis of the thin films was done by X-ray diffraction and surface morphology by scanning electron microscopy. Textured grain growth of the samples was measured by comparing the peak intensities. Textured grain growth and photo current in ZnO thin films were found to be enhanced by doping with Sn. ZnO thin film having good crystallinity with preferential (002 orientation is a semiconductor with photonic properties of potential benefit to biophotonics. From energy dispersive X-ray analysis, it is inferred that oxygen vacancy creation is responsible for the enhanced textured grain growth in ZnO thin films.

  18. New 3DXRD results on recrystallization and grain growth

    DEFF Research Database (Denmark)

    Juul Jensen, Dorte; West, Stine; Poulsen, Stefan Othmar

    2012-01-01

    New in-situ 3DXRD results obtained since the last Rex&GG conference are presented and discussed. This includes: Documentation of the formation of nuclei with new orientations, determination of apparent activation energies for individual bulk grains during recrystallization and evolution in the 3D...

  19. Measurement and modeling of radiation-induced grain boundary grain boundary segregation in stainless steels

    International Nuclear Information System (INIS)

    Bruemmer, S.M.; Charlot, L.A.; Simonen, E.P.

    1995-08-01

    Grain boundary radiation-induced segregation (RIS) in Fe-Ni-Cr stainless alloys has been measured and modelled as a function of irradiation temperature and dose. Heavy-ion irradiation was used to produce damage levels from 1 to 20 displacements per atom (dpa) at temperatures from 175 to 550 degrees C. Measured Fe, Ni, and Cr segregation increased sharply with irradiation dose (from 0 to 5 dpa) and temperature (from 175 to about 350 degrees C). However, grain boundary concentrations did not change significantly as dose or temperatures were further increased. Impurity segregation (Si and P) was also measured, but only Si enrichment appeared to be radiation-induced. Grain boundary Si levels peaked at an intermediate temperature of ∼325 degrees C reaching levels of ∼8 at. %. Equilibrium segregation of P was measured in the high-P alloys, but interfacial concentration did not increase with irradiation exposure. Examination of reported RIS in neutron-irradiated stainless steels revealed similar effects of irradiation dose on grain boundary compositional changes for both major alloying and impurity element's. The Inverse Kirkendall model accurately predicted major alloying element RIS in ion- and neutron-irradiated alloys over the wide range of temperature and dose conditions. In addition, preliminary calculations indicate that the Johnson-Lam model can reasonably estimate grain boundary Si enrichment if back diffusion is enhanced

  20. New deformation model of grain boundary strengthening in polycrystalline metals

    International Nuclear Information System (INIS)

    Trefilov, V.I.; Moiseev, V.F.; Pechkovskij, Eh.P.

    1988-01-01

    A new model explaining grain boundary strengthening in polycrystalline metals and alloys by strain hardening due to localization of plastic deformation in narrow bands near grain boundaries is suggested. Occurrence of localized deformation is caused by different flow stresses in grains of different orientation. A new model takes into account the active role of stress concentrator, independence of the strengthening coefficient on deformation, influence of segregations. Successful use of the model suggested for explanation of rhenium effect in molybdenum and tungsten is alloys pointed out

  1. Micromechanical Modeling of Grain Boundaries Damage in a Copper Alloy Under Creep

    International Nuclear Information System (INIS)

    Voese, Markus

    2015-01-01

    In order to include the processes on the scale of the grain structure into the description of the creep behaviour of polycrystalline materials, the damage development of a single grain boundary has been initially investigated in the present work. For this purpose, a special simulationmethod has been used, whose resolution procedure based on holomorphic functions. The mechanisms taken into account for the simulations include nucleation, growth by grain boundary diffusion, coalescence and shrinkage until complete sintering of grain boundary cavities. These studies have then been used to develop a simplified cavitation model, which describes the grain boundary damage by two state variables and the time-dependent development by a mechanism-oriented rate formulation. To include the influence of grain boundaries within continuum mechanical considerations of polycrystals, an interface model has been developed, that incorporates both damage according to the simplified cavitation model and grain boundary sliding in dependence of a phenomenological grain boundary viscosity. Furthermore a micromechanical model of a polycrystal has been developed that allows to include a material's grain structure into the simulation of the creep behaviour by means of finite element simulations. Thereby, the deformations of individual grains are expressed by a viscoplastic single crystal model and the grain boundaries are described by the proposed interface model. The grain structure is represented by a finite element model, in which the grain boundaries are modelled by cohesive elements. From the evaluation of experimental creep data, the micromechanical model of a polycrystal has been calibrated for a copper-antimony alloy at a temperature of 823 K. Thereby, the adjustment of the single crystal model has been carried out on the basis of creep rates of pure copper single crystal specimens. The experimental determination of grain boundary sliding and grain boundary porosity for coarse-grained

  2. A Madurella mycetomatis Grain Model in Galleria mellonella Larvae.

    Directory of Open Access Journals (Sweden)

    Wendy Kloezen

    Full Text Available Eumycetoma is a chronic granulomatous subcutaneous infectious disease, endemic in tropical and subtropical regions and most commonly caused by the fungus Madurella mycetomatis. Interestingly, although grain formation is key in mycetoma, its formation process and its susceptibility towards antifungal agents are not well understood. This is because grain formation cannot be induced in vitro; a mammalian host is necessary to induce its formation. Until now, invertebrate hosts were never used to study grain formation in M. mycetomatis. In this study we determined if larvae of the greater wax moth Galleria mellonella could be used to induce grain formation when infected with M. mycetomatis. Three different M. mycetomatis strains were selected and three different inocula for each strain were used to infect G. mellonella larvae, ranging from 0.04 mg/larvae to 4 mg/larvae. Larvae were monitored for 10 days. It appeared that most larvae survived the lowest inoculum, but at the highest inoculum all larvae died within the 10 day observation period. At all inocula tested, grains were formed within 4 hours after infection. The grains produced in the larvae resembled those formed in human and in mammalian hosts. In conclusion, the M. mycetomatis grain model in G. mellonella larvae described here could serve as a useful model to study the grain formation and therapeutic responses towards antifungal agents in the future.

  3. Competitive grain growth in directional solidification investigated by phase field simulation

    International Nuclear Information System (INIS)

    Li Junjie; Wang Zhijun; Wang Jincheng; Yang Yujuan

    2012-01-01

    During directional solidification, the competitive dendritic growth between various oriented grains is a key factor to obtain desirable texture. In order to understand the mechanism of competitive dendritic growth, the phase field method was adopted to simulate the microstructure evolution of bicrystal samples. The simulation has well reproduced the whole competitive growth process for both diverging and converging dendrites. In converging case, besides the block of the unfavorably oriented dendrite by the favorably oriented one, the unfavorably oriented dendrite is also able to overgrow the favorable one under the condition of relatively low pulling velocity. This unusual overgrowth is dictated by the solute interaction of the converging dendrite tips. In diverging case, it was found that the grain boundary can be either inclined or parallel to the favorably oriented grain depending on the disposition of two grains.

  4. The effect of some growth regulators on enzyme systems in irradiated barley grain using disinfestation doses

    International Nuclear Information System (INIS)

    Bachman, S.

    1973-01-01

    Disinfestation doses of 20 to 100 krad may cause changes in the biological systems of barley grain and, therefore, may influence undesirably the technological quality of malted grain. The effect of some growth regulators on irradiated grain has been investigated. The experiments have been carried out on brewery barley var. Visa Breuns. Following growth-regulators were used: gibberellic acid (Polish preparation ''Gibrescol''), kinetin (6-furfurylo-aminopurin), CCC (2-chloroethyl trimethyl ammonium chloride), and betaine hydrochloride. By treating the irradiated barley with solutions of growth regulators it was possible to diminish the loss of enzyme activity. A ''regenerating'' effect of growth substances, mainly gibberellic acid and betain hydrochloride in 10 -4 M solutions, was observed. Amylolytic activity decreased immediately after irradiation but in samples treated with growth regulators it was higher than in those without regulators. The results may have a practical importance since gibberellic acid has just been introduced into the brewery industry. (F.J.)

  5. Abnormal growth of faceted (WC) grains in a (Co) liquid matrix

    International Nuclear Information System (INIS)

    Park, Y.J.; Yoon, D.Y.

    1996-01-01

    If the grains dispersed in a liquid matrix are spherical, their surface atomic structure is expected to be rough (diffuse), and their coarsening has been observed to be controlled by diffusion in the matrix. They do not, furthermore, undergo abnormal growth. On the other hand, in some compound material systems, the grains in liquid matrices are faceted and often show abnormal coarsening behavior. Their faceted surface planes are expected to be singular (atomically flat) and therefore grow by a defect-assisted process and two-dimensional (2-D) nucleation. Contrary to the usual coarsening theories, their growth velocity is not linearly dependent on the driving force arising from the grain size difference. If the growth of the faceted grains occurs by 2-D nucleation, the rate is expected to increase abruptly at a critical supersaturation, as has been observed in crystal growth in melts and solutions. It is proposed that this growth mechanism leads to the abnormal grain coarsening. The 2-D nucleation theory predicts that there is a threshold initial grain size for the abnormal grain growth (AGG), and the propensity for AGG will increase with the heat-treatment temperature. The AGG behavior will also vary with the defects in the grains. These predictions are qualitatively confirmed in the sintered WC-Co alloy prepared from fine (0.85-microm) and coarse (5.48-microm) WC powders and their mixtures. The observed dependence of the AGG behavior on the sintering temperature and the milling of the WC powder is also qualitatively consistent with the predicted behavior

  6. A revisited Johnson-Mehl-Avrami-Kolmogorov model and the evolution of grain-size distributions in steel

    OpenAIRE

    Hömberg, D.; Patacchini, F. S.; Sakamoto, K.; Zimmer, J.

    2016-01-01

    The classical Johnson-Mehl-Avrami-Kolmogorov approach for nucleation and growth models of diffusive phase transitions is revisited and applied to model the growth of ferrite in multiphase steels. For the prediction of mechanical properties of such steels, a deeper knowledge of the grain structure is essential. To this end, a Fokker-Planck evolution law for the volume distribution of ferrite grains is developed and shown to exhibit a log-normally distributed solution. Numerical parameter studi...

  7. EFFECT OF SOME PLANT GROWTH REGULATORS WITH RETARDING ACTIVITY ON SPRING PEA FOR GRAIN

    Directory of Open Access Journals (Sweden)

    Tsenka ZHELYAZKOVA

    2012-12-01

    Full Text Available A field experiment was conducted at Trakia University - Stara Zagora to establish the effect of some growth retardants on morphological and productive parameters in spring pea for grain variety Bogatir. Three combined preparations: Trisalvit (phenylphthalamic acid + chlorocholine chloride + chlorophenoxyacetic acid +salicylic acid at doses of 300 and 400 сmз*ha-1; SM-21 (phenylphthalamic acid + chlorocholine chloride at doses of 300 and 400 сmз*ha-1 and PNSA-44 (phenylphthalamic acid + naphthaleneacetic acid + chlorophenoxyacetic acid at doses of 200 and 300 сmз*ha-1 were applied in the early growth phase of the plant up to a height of 15-20 cm. The study showed that the greatest reduction in the stem height (by 12.8% compared to untreated plants was achieved by applying SM-21 (400 сmз*ha-1. The application of growth regulators Trisalvit and SM-21 had no appreciable effect on the production of spring pea grain. Maximum values of yield structure components (number of pods and grain per plant, grain mass per plant and mass of 1000 grain and the yield were obtained after application of PNSA-44 (300 сmз*ha-1 - up to 5.6% (117.2 kg*ha-1 more grain than the control. The investigation of the influence of tested factors (retardant, dose and year demonstrated that the conditions of the year as a factor had the strongest effect on plant height and grain yield.

  8. Understanding and Tailoring Grain Growth of Lead-Halide Perovskite for Solar Cell Application.

    Science.gov (United States)

    Ma, Yongchao; Liu, Yanliang; Shin, Insoo; Hwang, In-Wook; Jung, Yun Kyung; Jeong, Jung Hyun; Park, Sung Heum; Kim, Kwang Ho

    2017-10-04

    The fundamental mechanism of grain growth evolution in the fabrication process from the precursor phase to the perovskite phase is not fully understood despite its importance in achieving high-quality grains in organic-inorganic hybrid perovskites, which are strongly affected by processing parameters. In this work, we investigate the fundamental conversion mechanism from the precursor phase of perovskite to the complete perovskite phase and how the intermediate phase promotes growth of the perovskite grains during the fabrication process. By monitoring the morphological evolution of the perovskite during the film fabrication process, we observed a clear rod-shaped intermediate phase in the highly crystalline perovskite and investigated the role of the nanorod intermediate phase on the growth of the grains of the perovskite film. Furthermore, on the basis of these findings, we developed a simple and effective method to tailor grain properties including the crystallinity, size, and number of grain boundaries, and then utilized the film with the tailored grains to develop perovskite solar cells.

  9. A Cellular Automaton / Finite Element model for predicting grain texture development in galvanized coatings

    Science.gov (United States)

    Guillemot, G.; Avettand-Fènoël, M.-N.; Iosta, A.; Foct, J.

    2011-01-01

    Hot-dipping galvanizing process is a widely used and efficient way to protect steel from corrosion. We propose to master the microstructure of zinc grains by investigating the relevant process parameters. In order to improve the texture of this coating, we model grain nucleation and growth processes and simulate the zinc solid phase development. A coupling scheme model has been applied with this aim. This model improves a previous two-dimensional model of the solidification process. It couples a cellular automaton (CA) approach and a finite element (FE) method. CA grid and FE mesh are superimposed on the same domain. The grain development is simulated at the micro-scale based on the CA grid. A nucleation law is defined using a Gaussian probability and a random set of nucleating cells. A crystallographic orientation is defined for each one with a choice of Euler's angle (Ψ,θ,φ). A small growing shape is then associated to each cell in the mushy domain and a dendrite tip kinetics is defined using the model of Kurz [2]. The six directions of basal plane and the two perpendicular directions develop in each mushy cell. During each time step, cell temperature and solid fraction are then determined at micro-scale using the enthalpy conservation relation and variations are reassigned at macro-scale. This coupling scheme model enables to simulate the three-dimensional growing kinetics of the zinc grain in a two-dimensional approach. Grain structure evolutions for various cooling times have been simulated. Final grain structure has been compared to EBSD measurements. We show that the preferentially growth of dendrite arms in the basal plane of zinc grains is correctly predicted. The described coupling scheme model could be applied for simulated other product or manufacturing processes. It constitutes an approach gathering both micro and macro scale models.

  10. Modelling fungal sink competitiveness with grains for assimilates in wheat infected by a biotrophic pathogen

    Science.gov (United States)

    Bancal, Marie-Odile; Hansart, Amandine; Sache, Ivan; Bancal, Pierre

    2012-01-01

    Background and Aims Experiments have shown that biotrophic fungi divert assimilates for their growth. However, no attempt has been made either to account for this additional sink or to predict to what extent it competes with both grain filling and plant reserve metabolism for carbon. Fungal sink competitiveness with grains was quantified by a mixed experimental–modelling approach based on winter wheat infected by Puccinia triticina. Methods One week after anthesis, plants grown under controlled conditions were inoculated with varying loads. Sporulation was recorded while plants underwent varying degrees of shading, ensuring a range of both fungal sink and host source levels. Inoculation load significantly increased both sporulating area and rate. Shading significantly affected net assimilation, reserve mobilization and sporulating area, but not grain filling or sporulation rates. An existing carbon partitioning (source–sink) model for wheat during the grain filling period was then enhanced, in which two parameters characterize every sink: carriage capacity and substrate affinity. Fungal sink competitiveness with host sources and sinks was modelled by representing spore production as another sink in diseased wheat during grain filling. Key Results Data from the experiment were fitted to the model to provide the fungal sink parameters. Fungal carriage capacity was 0·56 ± 0·01 µg dry matter °Cd−1 per lesion, much less than grain filling capacity, even in highly infected plants; however, fungal sporulation had a competitive priority for assimilates over grain filling. Simulation with virtual crops accounted for the importance of the relative contribution of photosynthesis loss, anticipated reserve depletion and spore production when light level and disease severity vary. The grain filling rate was less reduced than photosynthesis; however, over the long term, yield loss could double because the earlier reserve depletion observed here would shorten the

  11. Flotation process diagnostics and modelling by coal grain analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ofori, P; O' Brien, G.; Firth, B.; Jenkins, B. [CSIRO Energy Technology, Brisbane, Qld. (Australia)

    2006-05-15

    In coal flotation, particles of different components of the coal such as maceral groups and mineral matter and their associations have different hydrophobicities and therefore different flotation responses. By using a new coal grain analysis method for characterising individual grains, more detailed flotation performance analysis and modelling approaches have been developed. The method involves the use of microscopic imaging techniques to obtain estimates of size, compositional and density information on individual grains of fine coal. The density and composition partitioning of coal processed through different flotation systems provides an avenue to pinpoint the actual cause of poor process performance so that corrective action may be initiated. The information on grain size, density and composition is being used as input data to develop more detailed flotation process models to provide better predictions of process performance for both mechanical and column flotation devices. A number of approaches may be taken to flotation modelling such as the probability approach and the kinetic model approach or a combination of the two. In the work reported here, a simple probability approach has been taken, which will be further refined in due course. The use of grain data to map the responses of different types of coal grains through various fine coal cleaning processes provided a more advanced diagnostic capability for fine coal cleaning circuits. This enabled flotation performance curves analogous to partition curves for density separators to be produced for flotation devices.

  12. Multiseeding with (100)/(100) Grain Junctions in Top Seeded Melt Growth Processed YBCO Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Kim, C.J.; Gee, Y.A.; Hong, G.W. [Korea Atomic Energy Research Institute, Taejon (Korea); Kim, H.J.; Joo, J.H. [Sungkyunkwan University, Suwon (Korea); Han, S.C.; Han, Y.H.; Sung, T.H.; Kim, S.J. [Korea Electric Power Research Institute, Taejon (Korea)

    2000-06-01

    Multiseeding with (100)/(100) grain junctions of top-seeded melt growth (TSMG) processed YBCO superconductors was studied. Multiple seeding shortened the processing time for the fabrication of TSMG-processed YBCO superconductors. The relationship among the number of seeds, the levitation forces and the trapped magnetic fields of the TSMG-processed YBCO samples is reported. The characteristic of the (100)/(100) grain junction is discussed in terms of a wetting angle of a melt. (author). 25 refs., 7 figs.

  13. Niobium effects on the austenitic grain growth and hardenability of steels for mechanical construction

    International Nuclear Information System (INIS)

    Vieira, R.R.; Arruda Camargo, L.M. de; Oliveira Junior, G.G. de; Dias Filho, A.G.C.

    1983-01-01

    The austenitic grain growth and hardenability of SAE 86XX and 5120 steels modified with 0,001 to 0,20 per-cent niobium content were studied when submitted to case hardening and quenching heat treatments. The results show that niobium controlS the austenite grain size better than molybdenum up to 950 0 C austenitization temperature. The hardenability, evaluated by the Jominy test which the modified SAE 8640 steels, is more strongly inflencied by the grain refining resulting from niobium addition than by any other supposed effect. (Author) [pt

  14. Densification and Grain Growth in Polycrystalline Olivine Rocks Synthesized By Evacuated Hot-Pressing

    Science.gov (United States)

    Meyers, C. D.; Kohlstedt, D. L.; Zimmerman, M. E.

    2017-12-01

    Experiments on laboratory-synthesized olivine-rich rocks form the starting material for many investigations of physical processes in the Earth's upper mantle (e.g., creep behavior, ionic diffusion, and grain growth). Typically, a fit of a constitutive law to experimental data provides a description of the kinetics of a process needed to extrapolate across several orders of magnitude from laboratory to geological timescales. Although grain-size is a critical parameter in determining physical properties such as viscosity, broad disagreement persists amongst the results of various studies of grain growth kinetics in olivine-rich rocks. Small amounts of impurities or porosity dramatically affect the kinetics of grain growth. In this study, we developed an improved method for densifying olivine-rich rocks fabricated from powdered, gem-quality single crystals that involves evacuating the pore space, with the aim of refining measurements of the kinetics of mantle materials. In previous studies, olivine powders were sealed in a metal can and hydrostatically annealed at roughly 300 MPa and 1250 °C. These samples, which appear opaque and milky-green, typically retain a small amount of porosity. Consequently, when annealed at 1 atm, extensive pore growth occurs, inhibiting grain growth. In addition, Fourier-transform infrared and confocal Raman spectroscopy reveal absorption peaks characteristic of CO2 in the pores of conventionally hot-pressed material. To avoid trapping of adsorbed contaminants, we developed an evacuated hot-pressing method, wherein the pore space of powder compacts is vented to vacuum during heating and pressurization. This method produces a highly dense, green-tinted, transparent material. No CO2 absorptions peaks exist in evacuated hot-pressed material. When reheated to annealing temperatures at 1 atm, the evacuated hot-pressed material undergoes limited pore growth and dramatically enhanced grain-growth rates. High-strain deformation experiments on

  15. Austenite grain growth and microstructure control in simulated heat affected zones of microalloyed HSLA steel

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Lei [Department of Machine Tools and Factory Management, Technical University of Berlin, Pascalstraße 8 – 9, 10587, Berlin (Germany); Federal Institute for Materials Research and Testing, Unter den Eichen 87, 12205, Berlin (Germany); Kannengiesser, Thomas [Federal Institute for Materials Research and Testing, Unter den Eichen 87, 12205, Berlin (Germany); Institute of Materials and Joining Technology, Otto von Guericke University Magdeburg, Universitetsplatz 2, 39106, Magdeburg (Germany)

    2014-09-08

    The roles of microalloying niobium, titanium and vanadium for controlling austenite grain growth, microstructure evolution and hardness were investigated at different simulated heat affected zones (HAZ) for high strength low alloy (HSLA) S690QL steel. High resolution FEG-SEM has been used to characterize fine bainitic ferrite, martensite and nanosized second phases at simulated coarse and fine grain HAZs. It was found that for Ti bearing steel (Ti/N ratio is 2) austenite grain had the slowest growth rate due to the presence of most stable TiN. The fine cuboidal particles promoted intragranular acicular ferrite (IGF) formation. Nb bearing steel exhibited relatively weaker grain growth retardation compared with titanium bearing steels and a mixed microstructure of bainite and martensite was present for all simulated HAZs. IGF existed at coarse grain HAZ of Ti+V bearing steel but it was totally replaced by bainite at fine grain HAZs. Hardness result was closely related to the morphology of bainitic ferrite, intragranular ferrite and second phases within ferrite. The microstructure and hardness results of different simulated HAZs were in good agreement with welded experimental results.

  16. Explosive anisotropic grain growth of delta-NiMo by solid-state diffusion

    International Nuclear Information System (INIS)

    Chou, T.C.; Nieh, T.G.

    1991-01-01

    Anomalous, anisotropic grain growth has been observed in delta(δ)-NiMo intermetallic compound during the annealings of Mo/Ni thin-film diffusion couples at 700 and 800 degree C. Two layered microstructures showing median-sized, equiaxed grains and large columnar single crystalline grains were generated. The growth direction of the columnar grains was parallel to the direction of Ni diffusion flux. Electron diffraction indicated that both the median-sized and the columnar grains were δ-NiMo. The composition of δ-NiMo was determined to be Ni48-Mo52 (at.%). According to the thickness of reaction-formed δ-NiMo, the apparent interdiffusion coefficient was measured to be about 10 -10 cm 2 /s which is 4 to 5 orders of magnitude greater than literature data. The enhanced diffusion rate in Ni-Mo, and the anomalous anisotropic grain growth of δ-NiMo compound are discussed on the basis of exothermic reactions between Ni and Mo during diffusional intermixing. The enthalpy of the formation of δ-NiMo is calculated and demonstrated to be sufficient to cause melting/solidification of the compound

  17. Influence of intermediate annealing on abnormal Goss grain growth in the rolled columnar-grained Fe-Ga-Al alloys

    International Nuclear Information System (INIS)

    Liu, Yangyang; Li, Jiheng; Gao, Xuexu

    2017-01-01

    Highlights: • Texture of primary IA sample was dominated by γ-fiber with a peak at {1 1 1}<1 1 0>. • Texture of primary CR sample was dominated by {1 1 3}<1 1 4> texture. • Inhomogeneous microstructure was significantly improved in primary IA sample. • Strong Goss texture was obtained in final IA sample without surface energy control. - Abstract: Magnetostrictive Fe 82 Ga 4.5 Al 13.5 sheets with 0.1 at% NbC were prepared from directional solidified alloys with <0 0 1> preferred orientation. The slabs were hot rolled at 650 °C and warm rolled at 500 °C. Then some warm-rolled sheets were annealed intermediately at 850 °C for 5 min but the others not. After that, all the sheets were cold rolled to a final thickness of ∼0.3 mm. The microstructures, the textures and the distributions of second phase particles in the primary recrystallized samples were investigated. With intermediate annealing, the inhomogeneous microstructure was improved remarkably and strong Goss ({1 1 0}<0 0 1>) and γ-fiber (<1 1 1>//normal direction [ND]) textures were produced in the primary recrystallized samples. But, an evident disadvantage in size and quantity was observed for Goss grains in the primary recrystallized sample without intermediate annealing. After a final annealing, the final textures and magnetostrictions of samples with and without intermediate annealing were characterized. For samples without intermediate annealing, abnormal growth of {1 1 3} grains occurred and deteriorated the magnetostriction. In contrast, abnormal Goss grain growth occurred completely in samples with intermediate annealing and led to saturation magnetostriction as high as 156 ppm.

  18. Influence of intermediate annealing on abnormal Goss grain growth in the rolled columnar-grained Fe-Ga-Al alloys

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yangyang; Li, Jiheng; Gao, Xuexu, E-mail: gaox@skl.ustb.edu.cn

    2017-08-01

    Highlights: • Texture of primary IA sample was dominated by γ-fiber with a peak at {1 1 1}<1 1 0>. • Texture of primary CR sample was dominated by {1 1 3}<1 1 4> texture. • Inhomogeneous microstructure was significantly improved in primary IA sample. • Strong Goss texture was obtained in final IA sample without surface energy control. - Abstract: Magnetostrictive Fe{sub 82}Ga{sub 4.5}Al{sub 13.5} sheets with 0.1 at% NbC were prepared from directional solidified alloys with <0 0 1> preferred orientation. The slabs were hot rolled at 650 °C and warm rolled at 500 °C. Then some warm-rolled sheets were annealed intermediately at 850 °C for 5 min but the others not. After that, all the sheets were cold rolled to a final thickness of ∼0.3 mm. The microstructures, the textures and the distributions of second phase particles in the primary recrystallized samples were investigated. With intermediate annealing, the inhomogeneous microstructure was improved remarkably and strong Goss ({1 1 0}<0 0 1>) and γ-fiber (<1 1 1>//normal direction [ND]) textures were produced in the primary recrystallized samples. But, an evident disadvantage in size and quantity was observed for Goss grains in the primary recrystallized sample without intermediate annealing. After a final annealing, the final textures and magnetostrictions of samples with and without intermediate annealing were characterized. For samples without intermediate annealing, abnormal growth of {1 1 3} grains occurred and deteriorated the magnetostriction. In contrast, abnormal Goss grain growth occurred completely in samples with intermediate annealing and led to saturation magnetostriction as high as 156 ppm.

  19. Nanocrystalline growth and grain-size effects in Au-Cu electrodeposits

    International Nuclear Information System (INIS)

    Jankowski, Alan F.; Saw, Cheng K.; Harper, Jennifer F.; Vallier, Bobby F.; Ferreira, James L.; Hayes, Jeffrey P.

    2006-01-01

    The processing-structure-property relationship is investigated for electrodeposited foils of the gold-copper alloy system. A model is presented that relates the deposition process parameters to the nanocrystalline grain size. An activation energy of 1.52 eV atom -1 for growth is determined for a long-pulse (> 10 msec) mode, and is 0.16 eV atom -1 for short pulses ( 6 nm) is observed for Au-Cu samples with 1-12 wt.% Cu as tested in cross-section. The hardness increases three-fold from a rule-of-mixtures value < 1 GPa to a maximum of 2.9 GPa

  20. Grain growth across protoplanetary discs: 10 μm silicate feature versus millimetre slope

    NARCIS (Netherlands)

    Lommen, D.J.P.; van Dishoeck, E.F.; Wright, C.M.; Min, M.

    2010-01-01

    Context. Young stars are formed with dusty discs around them. The dust grains in the disc are originally of the same size as interstellar dust, i.e., of the order of 0.1 μm. Models predict that these grains will grow in size through coagulation. Observations of the silicate features around 10 and 20

  1. Interaction Between Second-Phase Particle Dissolution and Abnormal Grain Growth in an Austenitic Stainless Steel

    Directory of Open Access Journals (Sweden)

    Dutra J.C.

    2002-01-01

    Full Text Available The continuing development of stainless steels has resulted in complex steel compositions with substantial amounts of alloying elements. The benefits of such additions invariably come attached to unavoidable disadvantages. One of the most critical item is the potential microstructural instability of the material. Alloying elements may be in a supersaturated solid solution, in which the precipitation of carbides, nitrides, borides and intermetallic phases occurs in a wide range of temperatures. In order to dissolve the mentioned precipitates, solution annealing is commonly performed. However, at the temperature range in which this treatment is carried out, the onset of abnormal grain growth can occur. The interaction between the dissolution of these second-phase particles and the occurrence of abnormal grain growth is investigated in this work. This study also shows that the thermodynamics and the kinetics of dissolution of precipitates may be used to predict whether abnormal grain growth takes place.

  2. Influence of Different Growth Conditions on the Kefir Grains Production, used in the Kefiran Synthesis

    Directory of Open Access Journals (Sweden)

    Carmen Rodica Pop

    2014-11-01

    Full Text Available The purpose of this study was to optimize the kefir grains biomass production, using milk as culture media. The kefir grains were cultured at different changed conditions (temperature, time, shaker rotating speed, culture media supplemented to evaluate their effects. Results showed that optimal culture conditions were using the organic skim milk, incubated at 25°C for 24 hours with a rotation rate of 125 rpm. According to results, the growth rate was 38.9 g/L for 24 h, at 25°C using the organic milk - OSM, 36.87 g/L during 24 hours, optimal time for propagation process gave 37.93 g/L kefir grains biomass when the effect of temperature level was tested. The homogenization of medium with shaker rotating induced a greater growth rate, it was obtained 38.9 g/L for 24 h, at 25°C using rotation rate at 125 rpm. The growing medium (conventional milk supplemented with different minerals and vitamins may lead to improve the growth conditions of kefir grains biomass. The optimization of the growth environment is very important for achieving the maximum production of kefir grains biomass, substrate necessary to obtain the polysaccharide kefiran

  3. Effect of additives on enhanced sintering and grain growth in uranium dioxide

    International Nuclear Information System (INIS)

    Bourgeois, L.

    1992-06-01

    The use of sintering additives has been the most effective way of promoting grain growth of uranium dioxide. We have established a same mechanism for additives which belongs to corundum structure: chromium, aluminium, vanadium and titanium sesquioxides. Study of thermodynamical stabilities of dopants has lead to define suitable sintering atmospheres in order to enhance grain growth. Low solubility limits have been defined at T=1700 deg C for four additives, from variations of final grain size versus initial dopant concentration Identification of second phase after cooling has been done from electronic diffraction patterns. It appears that these solubilities decrease sharply as positive deviation from stoichiometry of uranium dioxide increases. Dilatometric analysis of sintering of doped uranium dioxide has shown in certain cases some enhancement in densification rates, at the point of onset of abnormal grain growth, which is believed to be the source. Nevertheless, the following growth is accompanied with pores coalescence mechanisms and pores entrapment inside grains. Increased thermal stability, during standard annealing, is expected, limiting thereby redensification of nuclear fuel in reactors. Finally, from investigations of additives vaporizations, Al 2 O 3 and Cr 2 O 3 , oxygen exchanges between additives and matrix are believed to occur, which should lead to enhance pore mobility. (Author)., refs., figs., tabs

  4. Stochastic ontogenetic growth model

    Science.gov (United States)

    West, B. J.; West, D.

    2012-02-01

    An ontogenetic growth model (OGM) for a thermodynamically closed system is generalized to satisfy both the first and second law of thermodynamics. The hypothesized stochastic ontogenetic growth model (SOGM) is shown to entail the interspecies allometry relation by explicitly averaging the basal metabolic rate and the total body mass over the steady-state probability density for the total body mass (TBM). This is the first derivation of the interspecies metabolic allometric relation from a dynamical model and the asymptotic steady-state distribution of the TBM is fit to data and shown to be inverse power law.

  5. Coarse-grain modelling of protein-protein interactions

    NARCIS (Netherlands)

    Baaden, Marc; Marrink, Siewert J.

    2013-01-01

    Here, we review recent advances towards the modelling of protein-protein interactions (PPI) at the coarse-grained (CG) level, a technique that is now widely used to understand protein affinity, aggregation and self-assembly behaviour. PPI models of soluble proteins and membrane proteins are

  6. Recrystallization and grain growth induced by ELMs-like transient heat loads in deformed tungsten samples

    Science.gov (United States)

    Suslova, A.; El-Atwani, O.; Sagapuram, D.; Harilal, S. S.; Hassanein, A.

    2014-11-01

    Tungsten has been chosen as the main candidate for plasma facing components (PFCs) due to its superior properties under extreme operating conditions in future nuclear fusion reactors such as ITER. One of the serious issues for PFCs is the high heat load during transient events such as ELMs and disruption in the reactor. Recrystallization and grain size growth in PFC materials caused by transients are undesirable changes in the material, since the isotropic microstructure developed after recrystallization exhibits a higher ductile-to-brittle transition temperature which increases with the grain size, a lower thermal shock fatigue resistance, a lower mechanical strength, and an increased surface roughening. The current work was focused on careful determination of the threshold parameters for surface recrystallization, grain growth rate, and thermal shock fatigue resistance under ELM-like transient heat events. Transient heat loads were simulated using long pulse laser beams for two different grades of ultrafine-grained tungsten. It was observed that cold rolled tungsten demonstrated better power handling capabilities and higher thermal stress fatigue resistance compared to severely deformed tungsten. Higher recrystallization threshold, slower grain growth, and lower degree of surface roughening were observed in the cold rolled tungsten.

  7. Numerical study of the grain growth and the thermal properties of ceramics

    International Nuclear Information System (INIS)

    Shahtahmasebi, N.; Shariaty ghleno, A.M.; Hosaini, M.

    2000-04-01

    The physical properties of ceramics strongly depends on the grain size, which itself depends on the sintering process. In this work we propose a model for sintering based on the gross features known experimental and the preform numerical study

  8. On grain growth kinetics in two-phase polycrystalline materials ...

    Indian Academy of Sciences (India)

    Abstract. Monte Carlo Potts model simulation was carried out on a 2D square lattice for various surface fractions ... The observations are in good agreement with known theoretical ... conceptual basis of the Monte Carlo method as a simulation.

  9. Modeling urban fire growth

    International Nuclear Information System (INIS)

    Waterman, T.E.; Takata, A.N.

    1983-01-01

    The IITRI Urban Fire Spread Model as well as others of similar vintage were constrained by computer size and running costs such that many approximations/generalizations were introduced to reduce program complexity and data storage requirements. Simplifications were introduced both in input data and in fire growth and spread calculations. Modern computational capabilities offer the means to introduce greater detail and to examine its practical significance on urban fire predictions. Selected portions of the model are described as presently configured, and potential modifications are discussed. A single tract model is hypothesized which permits the importance of various model details to be assessed, and, other model applications are identified

  10. Multiple oxide content media for columnar grain growth in L10 FePt thin films

    International Nuclear Information System (INIS)

    Ho, Hoan; Yang, En; Laughlin, David E.; Zhu, Jian-Gang

    2013-01-01

    An approach to enhance the height-to-diameter ratio of FePt grains in heat-assisted magnetic recording media is proposed. The FePt-SiO x thin films are deposited with a decrease of the SiO x percentage along the film growth direction. When bi-layer and tri-layer media are sputtered at 410 °C, we observe discontinuities in the FePt grains at interfaces between layers, which lead to poor epitaxial growth. Due to increased atomic diffusion, the bi-layer media sputtered at 450 °C is shown to (1) grow into continuous columnar grains with similar size as single-layer media but much higher aspect ratio, (2) have better L1 0 ordering and larger coercivity.

  11. Short-time beta grain growth kinetics for a conventional titanium alloy

    International Nuclear Information System (INIS)

    Semiatin, S.L.; Sukonnik, I.M.

    1996-01-01

    The kinetics of beta grain growth during short-time, supertransus heat treatment of Ti-5Al-4V were determined using a salt-pot technique. The finite-time, subtransus temperature transient during salt-pot heating was quantified through measurements of the heat transfer coefficient characterizing conduction across the salt-titanium interface and a simple heat conduction analysis which incorporated this heat transfer coefficient. Grain size versus time data adjusted to account for the subtransus temperature transient were successfully fit to the parabolic grain growth law d n - d 0 n = kt exp(-Q/RT) using an exponent n equal to 2.0. Comparison of the present results to rapid, continuous heat treatment data in the literature for a similar titanium alloy revealed a number of semi-quantitative similarities

  12. Watching the growth of bulk grains during recrystallization of deformed metals

    DEFF Research Database (Denmark)

    Schmidt, Søren; Fæster Nielsen, Søren; Gundlach, C.

    2004-01-01

    , contradicting the classical assumption of smooth and spherical growth of new grains during recrystallization. This type of in situ bulk measurement opens up the possibility of obtaining experimental data on scientific topics that before could only be analyzed theoretically on the basis of the statistical...

  13. Grain growth kinetics of textured-BaTiO3 ceramics

    Indian Academy of Sciences (India)

    Administrator

    3Department of Physics and Materials Science, City University of Hong Kong, Hong Kong ... Abstract. Textured BaTiO3 (BT) ceramics were fabricated by templated grain growth method. Effects of ... approaches to improve electrical properties of lead-free ceramics. ... modification methods to enhance the piezoelectric pro-.

  14. Effect of pre- and post-heading waterlogging on growth and grain yield of four millets

    Directory of Open Access Journals (Sweden)

    Asana Matsuura

    2016-07-01

    Full Text Available Seeds of Panicum miliaceum, Panicum sumatrense, Setaria glauca, and Setaria italica were raised in polyvinylchloride tubes filled with soil to determine interspecific differences in waterlogging tolerance and the effect of pre- and post-heading waterlogging on growth and grain yield. Four treatments were conducted including control (no-waterlogging stress during growth. Pre-heading waterlogging treatment was initiated 17 days after sowing to heading (TC. Post-heading waterlogging treatment was initiated heading till harvest (CT. Waterlogging treatment was initiated 17 days after sowing to harvesting (TT. The grain yield of P. miliaceum, S. glauca, and S. italica decreased 16, 18, and 4%, while that of P. sumatrense increased 210% under TT treatment and this showed P. sumatrense had most waterlogging tolerance. The grain yield was more affected under TC treatment in S. italica and P. miliaceum. However, there was not significant differences the grain yield between TC and CT treatment in P. sumatrense and S. glauca. Total dry weight, total root dry weight, number of crown root, and the proportion of lysigenous aerenchyma of P. sumatrense were significantly higher than those of other millets at harvesting. Plant growth rate, total root dry weight, number of crown root, and the proportion of lysigenous aerenchyma of P. sumatrense were significantly higher than those of other millets at heading. These results suggest that P. sumatrense exhibits waterlogging tolerance by enhancing root growth characterized by a high proportion of lysigenous aerenchyma in the crown root.

  15. Particle models for discrete element modeling of bulk grain properties of wheat kernels

    Science.gov (United States)

    Recent research has shown the potential of discrete element method (DEM) in simulating grain flow in bulk handling systems. Research has also revealed that simulation of grain flow with DEM requires establishment of appropriate particle models for each grain type. This research completes the three-p...

  16. Parameters modelling of amaranth grain processing technology

    Science.gov (United States)

    Derkanosova, N. M.; Shelamova, S. A.; Ponomareva, I. N.; Shurshikova, G. V.; Vasilenko, O. A.

    2018-03-01

    The article presents a technique that allows calculating the structure of a multicomponent bakery mixture for the production of enriched products, taking into account the instability of nutrient content, and ensuring the fulfilment of technological requirements and, at the same time considering consumer preferences. The results of modelling and analysis of optimal solutions are given by the example of calculating the structure of a three-component mixture of wheat and rye flour with an enriching component, that is, whole-hulled amaranth flour applied to the technology of bread from a mixture of rye and wheat flour on a liquid leaven.

  17. Morphology and grain structure evolution during epitaxial growth of Ag films on native-oxide-covered Si surface

    International Nuclear Information System (INIS)

    Hur, Tae-Bong; Kim, Hong Koo; Perello, David; Yun, Minhee; Kulovits, Andreas; Wiezorek, Joerg

    2008-01-01

    Epitaxial nanocrystalline Ag films were grown on initially native-oxide-covered Si(001) substrates using radio-frequency magnetron sputtering. Mechanisms of grain growth and morphology evolution were investigated. An epitaxially oriented Ag layer (∼5 nm thick) formed on the oxide-desorbed Si surface during the initial growth phase. After a period of growth instability, characterized as kinetic roughening, grain growth stagnation, and increase of step-edge density, a layer of nanocrystalline Ag grains with a uniform size distribution appeared on the quasi-two-dimensional layer. This hierarchical process of film formation is attributed to the dynamic interplay between incoming energetic Ag particles and native oxide. The cyclic interaction (desorption and migration) of the oxide with the growing Ag film is found to play a crucial role in the characteristic evolution of grain growth and morphology change involving an interval of grain growth stagnation

  18. The MARTINI force field : Coarse grained model for biomolecular simulations

    NARCIS (Netherlands)

    Marrink, Siewert J.; Risselada, H. Jelger; Yefimov, Serge; Tieleman, D. Peter; de Vries, Alex H.

    2007-01-01

    We present an improved and extended version of our coarse grained lipid model. The new version, coined the MARTINI force field, is parametrized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds. To

  19. Effect of solute concentration on grain boundary migration with segregation in stainless steel and model alloys

    Science.gov (United States)

    Kanda, H.; Hashimoto, N.; Takahashi, H.

    The phenomenon of grain boundary migration due to boundary diffusion via vacancies is a well-known process for recrystallization and grain growth during annealing. This phenomenon is known as diffusion-induced grain boundary migration (DIGM) and has been recognized in various binary systems. On the other hand, grain boundary migration often occurs under irradiation. Furthermore, such radiation-induced grain boundary migration (RIGM) gives rise to solute segregation. In order to investigate the RIGM mechanism and the interaction between solutes and point defects during the migration, stainless steel and Ni-Si model alloys were electron-irradiated using a HVEM. RIGM was often observed in stainless steels during irradiation. The migration rate of boundary varied, and three stages of the migration were recognized. At lower temperatures, incubation periods up to the occurrence of the boundary migration were observed prior to first stage. These behaviors were recognized particularly for lower solute containing alloys. From the relation between the migration rates at stage I and inverse temperatures, activation energies for the boundary migration were estimated. In comparison to the activation energy without irradiation, these values were very low. This suggests that the RIGM is caused by the flow of mixed-dumbbells toward the grain boundary. The interaction between solute and point defects and the effective defect concentration generating segregation will be discussed.

  20. Normal and abnormal grain growth in fine-grained Nd-Fe-B sintered magnets prepared from He jet milled powders

    Energy Technology Data Exchange (ETDEWEB)

    Bittner, F., E-mail: f.bittner@ifw-dresden.de [IFW Dresden, Institute for Metallic Materials, PO Box 270116, 01171 Dresden (Germany); Technische Universität Dresden, Institute of Materials Science, 01062 Dresden (Germany); Woodcock, T.G. [IFW Dresden, Institute for Metallic Materials, PO Box 270116, 01171 Dresden (Germany); Schultz, L. [IFW Dresden, Institute for Metallic Materials, PO Box 270116, 01171 Dresden (Germany); Technische Universität Dresden, Institute of Materials Science, 01062 Dresden (Germany); Schwöbel, C. [Technische Universität Darmstadt, Materialwissenschaft, Alarich-Weiß-Str. 16, 64287 Darmstadt (Germany); Gutfleisch, O. [Technische Universität Darmstadt, Materialwissenschaft, Alarich-Weiß-Str. 16, 64287 Darmstadt (Germany); Fraunhofer ISC, Projektgruppe für Werkstoffkreisläufe und Ressourcenstrategie IWKS, Rodenbacher Chaussee 4, 63457 Hanau (Germany); Zickler, G.A.; Fidler, J. [Technische Universität Wien, Institute of Solid State Physics, Wiedner Hauptstr. 8-10, 1040 Wien (Austria); Üstüner, K.; Katter, M. [Vacuumschmelze GmbH & Co. KG, 63412 Hanau (Germany)

    2017-03-15

    Fine-grained, heavy rare earth free Nd-Fe-B sintered magnets were prepared from He jet milled powders with an average particle size of 1.5 µm by low temperature sintering at 920 °C or 980 °C. A coercivity of >1600 kA/m was achieved for an average grain size of 1.68 µm. Transmission electron microscopy showed that the distribution and composition of intergranular and grain boundary junction phases was similar to that in conventionally processed magnets. Microstructural analysis on different length scales revealed the occurrence of abnormal grain growth, which is unexpected for sintering temperatures below 1000 °C. A larger area fraction of abnormal grains was observed in the sample sintered at 920 °C compared to that sintered at 980 °C. Microtexture investigation showed a better crystallographic alignment of the abnormal grains compared to the fine-grained matrix, which is explained by a size dependent alignment of the powder particles during magnetic field alignment prior to sintering. Slightly larger particles in the initial powder show a better alignment and will act as nucleation sites for abnormal grain growth. Magneto-optical Kerr investigations confirmed the lower switching field of the abnormal grains compared to the fine-grained matrix. The demagnetisation curve of the sample sintered at 920 °C showed reduced rectangularity and this was attributed to a cooperative effect of the larger fraction of abnormal grains with low switching field and, as a minor effect, a reduced degree of crystallographic texture in this sample compared to the material sintered at 980 °C, which did not show the reduced rectangularity of the demagnetisation curve. - Highlights: • He Jet milling to reduce Nd-Fe-B grain size and to enhance coercivity. • Normal and abnormal grain growth observed for low temperature sintering. • Well oriented abnormal grown grains explained by size dependent field alignment. • Poor rectangularity is caused by low nucleation field of

  1. Normal and abnormal grain growth in fine-grained Nd-Fe-B sintered magnets prepared from He jet milled powders

    International Nuclear Information System (INIS)

    Bittner, F.; Woodcock, T.G.; Schultz, L.; Schwöbel, C.; Gutfleisch, O.; Zickler, G.A.; Fidler, J.; Üstüner, K.; Katter, M.

    2017-01-01

    Fine-grained, heavy rare earth free Nd-Fe-B sintered magnets were prepared from He jet milled powders with an average particle size of 1.5 µm by low temperature sintering at 920 °C or 980 °C. A coercivity of >1600 kA/m was achieved for an average grain size of 1.68 µm. Transmission electron microscopy showed that the distribution and composition of intergranular and grain boundary junction phases was similar to that in conventionally processed magnets. Microstructural analysis on different length scales revealed the occurrence of abnormal grain growth, which is unexpected for sintering temperatures below 1000 °C. A larger area fraction of abnormal grains was observed in the sample sintered at 920 °C compared to that sintered at 980 °C. Microtexture investigation showed a better crystallographic alignment of the abnormal grains compared to the fine-grained matrix, which is explained by a size dependent alignment of the powder particles during magnetic field alignment prior to sintering. Slightly larger particles in the initial powder show a better alignment and will act as nucleation sites for abnormal grain growth. Magneto-optical Kerr investigations confirmed the lower switching field of the abnormal grains compared to the fine-grained matrix. The demagnetisation curve of the sample sintered at 920 °C showed reduced rectangularity and this was attributed to a cooperative effect of the larger fraction of abnormal grains with low switching field and, as a minor effect, a reduced degree of crystallographic texture in this sample compared to the material sintered at 980 °C, which did not show the reduced rectangularity of the demagnetisation curve. - Highlights: • He Jet milling to reduce Nd-Fe-B grain size and to enhance coercivity. • Normal and abnormal grain growth observed for low temperature sintering. • Well oriented abnormal grown grains explained by size dependent field alignment. • Poor rectangularity is caused by low nucleation field of

  2. The evolution of grain mantles and silicate dust growth at high redshift

    Science.gov (United States)

    Ceccarelli, Cecilia; Viti, Serena; Balucani, Nadia; Taquet, Vianney

    2018-05-01

    In dense molecular clouds, interstellar grains are covered by mantles of iced molecules. The formation of the grain mantles has two important consequences: it removes species from the gas phase and promotes the synthesis of new molecules on the grain surfaces. The composition of the mantle is a strong function of the environment that the cloud belongs to. Therefore, clouds in high-zeta galaxies, where conditions - like temperature, metallicity, and cosmic ray flux - are different from those in the Milky Way, will have different grain mantles. In the last years, several authors have suggested that silicate grains might grow by accretion of silicon-bearing species on smaller seeds. This would occur simultaneously with the formation of the iced mantles and be greatly affected by its composition as a function of time. In this work, we present a numerical study of the grain mantle formation in high-zeta galaxies, and we quantitatively address the possibility of silicate growth. We find that the mantle thickness decreases with increasing redshift, from about 120 to 20 layers for z varying from 0 to 8. Furthermore, the mantle composition is also a strong function of the cloud redshift, with the relative importance of CO, CO2, ammonia, methane, and methanol highly varying with z. Finally, being Si-bearing species always a very minor component of the mantle, the formation of silicates in molecular clouds is practically impossible.

  3. The use of thermally stimulated depolarization currents to study grain growth in ceramic thorium dioxide

    International Nuclear Information System (INIS)

    Muccillo, R.; Campos, L.L.

    1979-01-01

    Depolarization Current Spectra resulting from the destruction of the thermoelectret state in polycrystalline ThO 2 samples have been detected in the temperature range 100K-350K. The induced polarization is found to be due to migration of charge carriers over microscopic distances in the bulk of the specimens with trapping at grain boundaries. Moreover the density of charge carriers released from trapping sites, upon heating the cooled previously dc biased specimen decreases for increasing sintering temperature, suggesting the use of the technique to the study of grain growth in the bulk of ceramic oxides. (Author) [pt

  4. Hybrid continuum-coarse-grained modeling of erythrocytes

    Science.gov (United States)

    Lyu, Jinming; Chen, Paul G.; Boedec, Gwenn; Leonetti, Marc; Jaeger, Marc

    2018-06-01

    The red blood cell (RBC) membrane is a composite structure, consisting of a phospholipid bilayer and an underlying membrane-associated cytoskeleton. Both continuum and particle-based coarse-grained RBC models make use of a set of vertices connected by edges to represent the RBC membrane, which can be seen as a triangular surface mesh for the former and a spring network for the latter. Here, we present a modeling approach combining an existing continuum vesicle model with a coarse-grained model for the cytoskeleton. Compared to other two-component approaches, our method relies on only one mesh, representing the cytoskeleton, whose velocity in the tangential direction of the membrane may be different from that of the lipid bilayer. The finitely extensible nonlinear elastic (FENE) spring force law in combination with a repulsive force defined as a power function (POW), called FENE-POW, is used to describe the elastic properties of the RBC membrane. The mechanical interaction between the lipid bilayer and the cytoskeleton is explicitly computed and incorporated into the vesicle model. Our model includes the fundamental mechanical properties of the RBC membrane, namely fluidity and bending rigidity of the lipid bilayer, and shear elasticity of the cytoskeleton while maintaining surface-area and volume conservation constraint. We present three simulation examples to demonstrate the effectiveness of this hybrid continuum-coarse-grained model for the study of RBCs in fluid flows.

  5. Economic Growth Models Transition

    Directory of Open Access Journals (Sweden)

    Coralia Angelescu

    2006-03-01

    Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

  6. Economic Growth Models Transition

    Directory of Open Access Journals (Sweden)

    Coralia Angelescu

    2006-01-01

    Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

  7. Effect of Deforming Temperature and Strain on Abnormal Grain Growth of Extruded FGH96 Superalloy

    Directory of Open Access Journals (Sweden)

    WANG Chaoyuan

    2016-10-01

    Full Text Available Based on the experiments of isothermal forging wedge-shaped samples, Deform-3D numerical simulation software was used to confirm the strain distribution in the wedge-shaped samples. The effect of deforming temperature and strain on abnormal grain growth(AGG in extruded FGH96 superalloy was examined. It is found that when the forging speed is 0.04 mm/s,the critical AGG occurring temperature is 1100℃,and the critical strain is 2%.AGG does not occur within 1000-1070℃,but still shows the feature of ‘critical strain’,and the region with strain of 5%-10% has the largest average grain size.AGG can be avoided and the uniform fine grains can be gained when the strain is not less than 15%.

  8. Creep crack growth by grain boundary cavitation under monotonic and cyclic loading

    Science.gov (United States)

    Wen, Jian-Feng; Srivastava, Ankit; Benzerga, Amine; Tu, Shan-Tung; Needleman, Alan

    2017-11-01

    Plane strain finite deformation finite element calculations of mode I crack growth under small scale creep conditions are carried out. Attention is confined to isothermal conditions and two time histories of the applied stress intensity factor: (i) a monononic increase to a plateau value subsequently held fixed; and (ii) a cyclic time variation. The crack growth calculations are based on a micromechanics constitutive relation that couples creep deformation and damage due to grain boundary cavitation. Grain boundary cavitation, with cavity growth due to both creep and diffusion, is taken as the sole failure mechanism contributing to crack growth. The influence on the crack growth rate of loading history parameters, such as the magnitude of the applied stress intensity factor, the ratio of the applied minimum to maximum stress intensity factors, the loading rate, the hold time and the cyclic loading frequency, are explored. The crack growth rate under cyclic loading conditions is found to be greater than under monotonic creep loading with the plateau applied stress intensity factor equal to its maximum value under cyclic loading conditions. Several features of the crack growth behavior observed in creep-fatigue tests naturally emerge, for example, a Paris law type relation is obtained for cyclic loading.

  9. Experimental investigation of grain size effect on fatigue crack growth rate in turbine disc superalloy GH4169 under different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Dianyin [School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Collaborative Innovation Center of Advanced Aero-Engine, Beijing 100191 (China); Beijing Key Laboratory of Aero-Engine Structure and Strength, Beijing 100191 (China); Mao, Jianxing [School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Song, Jun, E-mail: jun.song2@mcgill.ca [Mining and Materials Engineering, McGill University, Montreal, QC, Canada H3A 0C5 (Canada); Meng, Fanchao [Mining and Materials Engineering, McGill University, Montreal, QC, Canada H3A 0C5 (Canada); Shan, Xiaoming [China Aviation Powerplant Research Institute, Zhuzhou 412002 (China); Wang, Rongqiao, E-mail: wangrq@buaa.edu.cn [School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Collaborative Innovation Center of Advanced Aero-Engine, Beijing 100191 (China); Beijing Key Laboratory of Aero-Engine Structure and Strength, Beijing 100191 (China)

    2016-07-04

    Systematic experiments for fatigue crack growth (FCG) rate on compact tension (CT) specimens have been conducted in nickel-based superalloy GH4169 at a broad range of temperatures with a frequency of 10 Hz and a stress ratio of 0.1. In order to investigate the crack closure behavior, FCG experiments at stress ratio of 0.5 were also performed by comparing with the results at stress ration of 0.1. CT specimens were cut from three typical locations of an actual forged turbine disc to investigate the effect of grain size on the FCG behaviors. The grain size distribution, precipitates and fracture surface characteristics at different locations of the turbine disc were examined through optical microscope, transmission electron microscope (TEM) and scanning electronic microscope (SEM) analyses. Digital image correlation (DIC), optical interferometry and oxide film measurements were carried out to investigate the presence and inducement of the crack closure. Then a modified FCG model, with a distribution factor that evaluates the scattering in the FCG rate, was formulated to describe the dependence of FCG rate on grain size. Finally, the possible microscopic mechanisms to explain the grain size effect on the FCG behaviors based on crack deflection and blockage, and the crack closure inducements involving plasticity and oxide were discussed in this study.

  10. Effect of Fungicide Applications on Grain Sorghum (Sorghum bicolor L. Growth and Yield

    Directory of Open Access Journals (Sweden)

    Dan D. Fromme

    2017-01-01

    Full Text Available Field studies were conducted in the upper Texas Gulf Coast and in central Louisiana during the 2013 through 2015 growing seasons to evaluate the effects of fungicides on grain sorghum growth and development when disease pressure was low or nonexistent. Azoxystrobin and flutriafol at 1.0 L/ha and pyraclostrobin at 0.78 L/ha were applied to the plants of two grain sorghum hybrids (DKS 54-00, DKS 53-67 at 25% bloom and compared with the nontreated check for leaf chlorophyll content, leaf temperature, and plant lodging during the growing season as well as grain mold, test weight, yield, and nitrogen and protein content of the harvested grain. The application of a fungicide had no effect on any of the variables tested with grain sorghum hybrid responses noted. DKS 53-67 produced higher yield, greater test weight, higher percent protein, and N than DKS 54-00. Results of this study indicate that the application of a fungicide when little or no disease is present does not promote overall plant health or increase yield.

  11. Species distribution model transferability and model grain size - finer may not always be better.

    Science.gov (United States)

    Manzoor, Syed Amir; Griffiths, Geoffrey; Lukac, Martin

    2018-05-08

    Species distribution models have been used to predict the distribution of invasive species for conservation planning. Understanding spatial transferability of niche predictions is critical to promote species-habitat conservation and forecasting areas vulnerable to invasion. Grain size of predictor variables is an important factor affecting the accuracy and transferability of species distribution models. Choice of grain size is often dependent on the type of predictor variables used and the selection of predictors sometimes rely on data availability. This study employed the MAXENT species distribution model to investigate the effect of the grain size on model transferability for an invasive plant species. We modelled the distribution of Rhododendron ponticum in Wales, U.K. and tested model performance and transferability by varying grain size (50 m, 300 m, and 1 km). MAXENT-based models are sensitive to grain size and selection of variables. We found that over-reliance on the commonly used bioclimatic variables may lead to less accurate models as it often compromises the finer grain size of biophysical variables which may be more important determinants of species distribution at small spatial scales. Model accuracy is likely to increase with decreasing grain size. However, successful model transferability may require optimization of model grain size.

  12. Multi-model uncertainty analysis in predicting grain N for crop rotations in Europe

    Czech Academy of Sciences Publication Activity Database

    Yin, X.; Kersebaum, K. C.; Kollas, C.; Baby, S.; Beaudoin, N.; Manevski, K.; Palosuo, T.; Nendel, C.; Wu, L.; Hoffmann, M.; Hoffmann, H. D.; Sharif, B.; Armas-Herrera, C.; Bindi, M.; Charfeddine, M.; Conradt, T.; Constantin, J.; Ewert, F.; Ferrise, R.; Gaiser, T.; de Cortazar-Atauri, I. G.; Giglio, L.; Hlavinka, Petr; Lana, M.; Launay, M.; Louarn, G.; Manderscheid, R.; Mary, B.; Mirschel, W.; Moriondo, M.; Oeztuerk, M.; Pacholski, A.; Ripoche-Wachter, D.; Roetter, R. P.; Ruget, F.; Trnka, Miroslav; Ventrella, D.; Weigel, H-J.; Olesen, J. E.

    2017-01-01

    Roč. 84, mar (2017), s. 152-165 ISSN 1161-0301 R&D Projects: GA MŠk(CZ) LO1415 Institutional support: RVO:67179843 Keywords : air co2 enrichment * climate-change * catch crops * nitrogen-fertilization * wheat production * winter-wheat * model stics * sugar-beet * wide-range * growth * Continuous simulation * Grain N * Model calibration * Model ensemble * Model inter-comparison * Single year simulation Subject RIV: GC - Agronomy OBOR OECD: Agronomy , plant breeding and plant protection Impact factor: 3.757, year: 2016

  13. Why do interstellar grains exist

    International Nuclear Information System (INIS)

    Seab, C.G.; Hollenbach, D.J.; Mckee, C.F.; Tielens, A.G.G.M.

    1986-01-01

    There exists a discrepancy between calculated destruction rates of grains in the interstellar medium and postulated sources of new grains. This problem was examined by modelling the global life cycle of grains in the galaxy. The model includes: grain destruction due to supernovae shock waves; grain injection from cool stars, planetary nebulae, star formation, novae, and supernovae; grain growth by accretion in dark clouds; and a mixing scheme between phases of the interstellar medium. Grain growth in molecular clouds is considered as a mechanism or increasing the formation rate. To decrease the shock destruction rate, several new physical processes, such as partial vaporization effects in grain-grain collisions, breakdown of the small Larmor radius approximation for betatron acceleration, and relaxation of the steady-state shock assumption are included

  14. Fission gas release and grain growth in THO2-UO2 fuel irradiated at high temperature

    International Nuclear Information System (INIS)

    Goldberg, I.; Waldman, L.A.; Giovengo, J.F.; Campbell, W.R.

    1979-01-01

    Data are presented on fission gas release and grain growth in ThO 2 -UO 2 fuels irradiated as part of the LWBR fuel element development program. These data for rods that experienced peak linear power outputs ranging from 15 to 22 KW/ft supplement fission gas release data previously reported for 51 rods containing ThO 2 and ThO 2 -UO 2 fuel irradiated at peak linear powers predominantly below 14 KW/ft. Fission gas release was relatively high (up to 15.0 percent) for the rods operated at high power in contrast to the relatively low fission gas release (0.1 to 5.2 percent) measured for the rods operated at lower power. Metallographic examination revealed extensive equiaxed grain growth in the fuel at the high power axial locations of the three rods

  15. Irreversible thermodynamics, parabolic law and self-similar state in grain growth

    International Nuclear Information System (INIS)

    Rios, P.R.

    2004-01-01

    The formalism of the thermodynamic theory of irreversible processes is applied to grain growth to investigate the nature of the self-similar state and its corresponding parabolic law. Grain growth does not reach a steady state in the sense that the entropy production remains constant. However, the entropy production can be written as a product of two factors: a scale factor that tends to zero for long times and a scaled entropy production. It is suggested that the parabolic law and the self-similar state may be associated with the minimum of this scaled entropy production. This result implies that the parabolic law and the self-similar state have a sound irreversible thermodynamical basis

  16. Grain growth: The key to understand solid-state dewetting of silver thin films

    International Nuclear Information System (INIS)

    Jacquet, P.; Podor, R.; Ravaux, J.; Teisseire, J.; Gozhyk, I.; Jupille, J.; Lazzari, R.

    2016-01-01

    The dynamics of solid-state dewetting of polycrystalline silver thin films in oxygen atmosphere was investigated with in situ and real-time environmental Scanning Electron Microscopy at high temperature combined with Atomic Force Microscopy. Three steps were identified during dewetting: induction, hole propagation without specific rim and sintering. Moreover, it was observed that a very selective grain growth, promoted by surface diffusion, plays a key role all along the process.

  17. The effects of particle size distribution and induced unpinning during grain growth

    International Nuclear Information System (INIS)

    Thompson, G.S.; Rickman, J.M.; Harmer, M.P.; Holm, E.A.

    1996-01-01

    The effect of a second-phase particle size distribution on grain boundary pinning was studied using a Monte Carlo simulation technique. Simulations were run using a constant number density of both whisker and rhombohedral particles, and the effect of size distribution was studied by varying the standard deviation of the distribution around a constant mean particle size. The results of present simulations indicate that, in accordance with the stereological assumption of the topological pinning model, changes in distribution width had no effect on the pinned grain size. The effect of induced unpinning of particles on microstructure was also studied. In contrast to predictions of the topological pinning model, a power law dependence of pinned grain size on particle size was observed at T=0.0. Based on this, a systematic deviation to the stereological predictions of the topological pinning model is observed. The results of simulations at higher temperatures indicate an increasing power law dependence of pinned grain size on particle size, with the slopes of the power law dependencies fitting an Arrhenius relation. The effect of induced unpinning of particles was also studied in order to obtain a correlation between particle/boundary concentration and equilibrium grain size. The results of simulations containing a constant number density of monosized rhombohedral particles suggest a strong power law correlation between the two parameters. copyright 1996 Materials Research Society

  18. DUST PROPERTIES AND DISK STRUCTURE OF EVOLVED PROTOPLANETARY DISKS IN Cep OB2: GRAIN GROWTH, SETTLING, GAS AND DUST MASS, AND INSIDE-OUT EVOLUTION

    International Nuclear Information System (INIS)

    Sicilia-Aguilar, Aurora; Henning, Thomas; Dullemond, Cornelis P.; Bouwman, Jeroen; Sturm, Bernhard; Patel, Nimesh; Juhász, Attila

    2011-01-01

    We present Spitzer/Infrared Spectrograph spectra of 31 T Tauri stars (TTS) and IRAM/1.3 mm observations for 34 low- and intermediate-mass stars in the Cep OB2 region. Including our previously published data, we analyze 56 TTS and 3 intermediate-mass stars with silicate features in Tr 37 (∼4 Myr) and NGC 7160 (∼12 Myr). The silicate emission features are well reproduced with a mixture of amorphous (with olivine, forsterite, and silica stoichiometry) and crystalline grains (forsterite, enstatite). We explore grain size and disk structure using radiative transfer disk models, finding that most objects have suffered substantial evolution (grain growth, settling). About half of the disks show inside-out evolution, with either dust-cleared inner holes or a radially dependent dust distribution, typically with larger grains and more settling in the innermost disk. The typical strong silicate features nevertheless require the presence of small dust grains, and could be explained by differential settling according to grain size, anomalous dust distributions, and/or optically thin dust populations within disk gaps. M-type stars tend to have weaker silicate emission and steeper spectral energy distributions than K-type objects. The inferred low dust masses are in a strong contrast with the relatively high gas accretion rates, suggesting global grain growth and/or an anomalous gas-to-dust ratio. Transition disks in the Cep OB2 region display strongly processed grains, suggesting that they are dominated by dust evolution and settling. Finally, the presence of rare but remarkable disks with strong accretion at old ages reveals that some very massive disks may still survive to grain growth, gravitational instabilities, and planet formation.

  19. A particle model of rolling grain ripples under waves

    DEFF Research Database (Denmark)

    Andersen, Ken Haste

    2001-01-01

    A simple model for the formation of rolling grain ripples on a flat sand bed by the oscillatory flow generated by a surface wave is presented. An equation of motion is derived for the individual ripples, seen as "particles," on the otherwise flat bed. The model accounts for the initial appearance...... of the ripples, the subsequent coarsening of the ripples, and the final equilibrium state. The model is related to the physical parameters of the problem, and an analytical approximation for the equilibrium spacing of the ripples is developed. It is found that the spacing between the ripples scales...

  20. Determination of Sintered (Th,U)O2 Pellet at the Grain Growth Step

    International Nuclear Information System (INIS)

    Indrati-Y, Tundjung; Pristi-Hartati, Murdani; Ari-Handayani; Ginting, Aslina Br

    2000-01-01

    The determination of sintered (Th,U)O 2 pellet at the grain growth stephave been done by dilatometer and Scanning Electron Microscope (SEM). Thecalculation method based on the densification curve and quantitativemetallurgy. The green pellet be produced by single action compaction. Itspellet was heated on the dilatometer with heating rate 11 o C/minute and inthe argon atmosphere, 2 liters/hour. The activation energy at thedensification step can be calculated by densification curve only, but theactivation energy at the grain growth step can be calculated by densificationcurve or quantitative metallurgy. The capability of the dilatometer can beoperated until 1200 o C, so the densification curve based on the experiencecan be used to calculate activation energy at the densification step, 4.492kcal/mole. The activation energy at the grain growth step, which is 25.277kcal/mole, can be predicted by trial and error on n value. That activationenergy is almost the same with activation energy that based on thequantitative metallurgy method 25.042 kcal/mole. All of the activation energyfor the (Th,U)O 2 pellet sintering process is 29.769 kcal/mole. (author)

  1. Windbreak effect on biomass and grain mass accumulation of corn: a modeling approach

    International Nuclear Information System (INIS)

    Zhang, H.; Brandle, J.R.

    1996-01-01

    While numerous studies have indicated that field windbreaks both improve crop growing conditions and generally enhance crop growth and yield, especially under less favorable conditions, the relationship between the two is not clearly understood. A simple model is proposed to simulate biomass and grain mass accumulation of corn (Zea mays L,) with a windbreak shelter or without (exposed condition). The model is based on the positive relationship between intercepted solar radiation and biomass accumulation and requires plant population and hourly inputs of solar radiation and air temperature. Using published data, radiation use efficiency (RUE) was related to plant population, and a temperature function was established between the relative corn growth and temperature for pre-silking stages. Biomass and grain mass simulated by the model agreed well with those measured for both sheltered and unsheltered plants from 1990 to 1992. Windbreaks did not significantly increase biomass or grain mass of corn for this study, even though air temperature was greater with than without shelter, probably indicating that the microclimatic changes induced by windbreaks were not physiologically significant for the 3-yr period studied. The model has potential use in future studies to relate windbreak effects to crop yield and to evaluate windbreak designs for maximum benefits

  2. Contribution to the study of the creep of uranium dioxide. Role of grain growth promoters

    International Nuclear Information System (INIS)

    Vivant-Duguay, Christelle

    1998-01-01

    Improvement of nuclear fuel performances involves enhancing the plasticity of uranium dioxide UO 2 , in order to reduce the stress applied by the pellet to the cladding during a power ramp. The objective of this work is to identify and to formulate the effects produced by the nature and the concentration of additives of corundum structure, Cr 2 O 3 or Al 2 O 3 , which are grain growth promoters for UO 2 . The review of literature data establishes that oxygen content, grain size or porosity markedly affect the mechanical properties of uranium dioxide. On the other hand, there is relatively little reported work on the influence of doping. Prepared samples have been deformed by uniaxial compression. In the case of standard undoped UO 2 , two distinct preponderant creep mechanisms occur depending on stress level: a grain boundary diffusional creep, as per Coble, for stresses below the transition stress and a dislocation creep above. The doped materials have a large grained microstructure, which allows a dislocation creep only. In the range of temperature and stress investigated here, doping significantly improves the plasticity of standard UO 2 . This common effect of dopants is characterized by a decrease in the flow stress for tests with constant strain rate and by enhanced steady-state creep rates. Cr 2 O 3 doping is the more effective. The apparent benefit of doping results from the gain due to the increased grain size, but it is compensated by the strengthening effect of the additive. The creep law used to describe the behavior of standard UO 2 , has been modified to account for the influence of the dopant, by including either the concentration or the grain size. (author) [fr

  3. FROM ATOMISTIC TO SYSTEMATIC COARSE-GRAINED MODELS FOR MOLECULAR SYSTEMS

    KAUST Repository

    Harmandaris, Vagelis; Kalligiannaki, Evangelia; Katsoulakis, Markos; Plechac, Petr

    2017-01-01

    The development of systematic (rigorous) coarse-grained mesoscopic models for complex molecular systems is an intense research area. Here we first give an overview of methods for obtaining optimal parametrized coarse-grained models, starting from

  4. Repeated growth and bubbling transfer of graphene with millimetre-size single-crystal grains using platinum.

    Science.gov (United States)

    Gao, Libo; Ren, Wencai; Xu, Huilong; Jin, Li; Wang, Zhenxing; Ma, Teng; Ma, Lai-Peng; Zhang, Zhiyong; Fu, Qiang; Peng, Lian-Mao; Bao, Xinhe; Cheng, Hui-Ming

    2012-02-28

    Large single-crystal graphene is highly desired and important for the applications of graphene in electronics, as grain boundaries between graphene grains markedly degrade its quality and properties. Here we report the growth of millimetre-sized hexagonal single-crystal graphene and graphene films joined from such grains on Pt by ambient-pressure chemical vapour deposition. We report a bubbling method to transfer these single graphene grains and graphene films to arbitrary substrate, which is nondestructive not only to graphene, but also to the Pt substrates. The Pt substrates can be repeatedly used for graphene growth. The graphene shows high crystal quality with the reported lowest wrinkle height of 0.8 nm and a carrier mobility of greater than 7,100 cm(2) V(-1) s(-1) under ambient conditions. The repeatable growth of graphene with large single-crystal grains on Pt and its nondestructive transfer may enable various applications.

  5. Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

    KAUST Repository

    Kalligiannaki, Evangelia

    2015-01-07

    We study the application of information theoretic tools for model reduction in the case of systems driven by stochastic dynamics out of equilibrium. The model/dimension reduction is considered by proposing parametrized coarse grained dynamics and finding the optimal parameter set for which the relative entropy rate with respect to the atomistic dynamics is minimized. The minimization problem leads to a generalization of the force matching methods to non equilibrium systems. A multiplicative noise example reveals the importance of the diffusion coefficient in the optimization problem.

  6. Statistical model for grain boundary and grain volume oxidation kinetics in UO2 spent fuel

    International Nuclear Information System (INIS)

    Stout, R.B.; Shaw, H.F.; Einziger, R.E.

    1989-09-01

    This paper addresses statistical characteristics for the simplest case of grain boundary/grain volume oxidation kinetics of UO 2 to U 3 O 7 for a fragment of a spent fuel pellet. It also presents a limited discussion of future extensions to this simple case to represent the more complex cases of oxidation kinetics in spent fuels. 17 refs., 1 fig

  7. Grain growth control and transparency in spark plasma sintered self-doped alumina materials

    International Nuclear Information System (INIS)

    Suarez, M.; Fernandez, A.; Menendez, J.L.; Torrecillas, R.

    2009-01-01

    Doping alumina particles with aluminum alkoxides allows dense spark plasma sintered (SPSed) materials to be obtained that have a refined grain size compared to pure materials, which is critical for their transparency. An optical model considering pore and grain size distributions has been developed to obtain information about porosity in dense materials. This work suggests that the atomic diffusion mechanisms do not depend on the sintering technique. A reduction in the activation energy by a factor of 2 has been found in SPSed materials.

  8. Effects of seed orientation on the growth behavior of single grain REBCO bulk superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hee Gyoun [Korea Polytechnic University, Siheung (Korea, Republic of)

    2017-06-15

    This study presents a simple method to control the seed orientation which leads to the various growth characteristics of a single grain REBCO (RE: rare-earth elements) bulk superconductors. Seed orientation was varied systematically from c-axis to a-axis with every 30 degree rotation around b-axis. Orientations of a REBCO single grain was successfully controlled by placing the seed with various angles on the prismatic indent prepared on the surface of REBCO powder compacts. Growth pattern was changed from cubic to rectangular when the seed orientation normal to compact surface was varied from c-axis to a-axis. Macroscopic shape change has been explained by the variation of the wetting angle of un-reacted melt depending on the interface energy between YBa2Cu3O7-y (Y123) grain and melt. Higher magnetic levitation force was obtained for the specimen prepared using tilted seed with an angle of 30 degree rotation around b-axis.

  9. Mitigating Abnormal Grain Growth for Friction Stir Welded Al-Li 2195 Spun Formed Domes

    Science.gov (United States)

    Chen, Po-Shou; Russell, Carolyn

    2012-01-01

    Formability and abnormal grain growth (AGG) are the two major issues that have been encountered for Al alloy spun formed dome development using friction stir welded blanks. Material properties that have significant influence on the formability include forming range and strain hardening exponent. In this study, tensile tests were performed for two 2195 friction stir weld parameter sets at 400 F to study the effects of post weld anneal on the forming range and strain hardening exponent. It was found that the formability can be enhanced by applying a newly developed post weld anneal to heat treat the friction stir welded panels. This new post weld anneal leads to a higher forming range and much improved strain hardening exponent. AGG in the weld nugget is known to cause a significant reduction of ductility and fracture toughness. This study also investigated how AGG may be influenced by the heating rate to the solution heat treatment temperature. After post-weld annealing, friction stir welds were strained to 15% and 39% by compression at 400 F before they were subjected to SHT at 950 F for 1 hour. Salt bath SHT is very effective in reducing the grain size as it helps arrest the onset of AGG and promote normal recrystallization and grain growth. However, heat treating a 18 ft dome using a salt bath is not practical. Efforts are continuing at Marshall Space Flight Center to identify the welding parameters and heat treating parameters that can help mitigate the AGG in the friction stir welds.

  10. Grain growth kinetics of ringwoodite and majorite garnet mixtures and implications for the rheology of the transition zone

    Science.gov (United States)

    Ezad, I.; Dobson, D. P.; Brodholt, J. P.; Thomson, A.; Hunt, S.

    2017-12-01

    The grain size of the transition zone is a poorly known but important geophysical parameter. Among others, the grain size may control the rheology, seismic attenuation and radiative thermal conductivity of the mantle. However, the grain size of the transition zone minerals ringwoodite (Mg,Fe)2SiO4 and majorite garnet MgSiO3 under appropriate zone conditions is currently unknown and there are very few experiments with which to constrain it. In order to determine the grain size of the transition zone, the grain growth kinetics must be determined for a range of mantle compositions. We have, therefore, experimentally determined the grain growth kinetics of the lowermost transition zone minerals through multi anvil experiments at University College London (UCL). This is achieved through a comprehensive set of time series experiments at pressures of 21 GPa and temperatures relevant to the transition zone. We have also determined the effect of varying water content, oxygen fugacity, iron content and aluminium content also discussed by Dobson and Mariani., (2014). Our initial grain growth experiments conducted at 1200°C and 1400°C at 18 GPa show extremely slow grain growth kinetics; time series experiments extended to 105.8 seconds are unable to produce grains larger than 100 nm. This suggests that fine-grained material at the base of the transition zone will persist on geological timescales. Such small grains size suggests that diffusion creep might be the dominant deformation mechanism in this region. Reference: Dobson, D.P., Mariani, E., 2014. The kinetics of the reaction of majorite plus ferropericlase to ringwoodite: Implications for mantle upwellings crossing the 660 km discontinuity. Earth Planet. Sci. Lett. 408, 110-118. doi:10.1016/j.epsl.2014.10.009

  11. Analytical expression for the evolution of interfacial area density between transformed grains during nucleation and growth transformations

    DEFF Research Database (Denmark)

    Rios, P.R.; Godiksen, R.B.; Schmidt, Søren

    2006-01-01

    This paper shows that interfacial area density between transformed grains during nucleation and growth transformations and the contiguity are useful descriptors of microstructural evolution. These descriptors are evaluated analytically and compared with results from computer simulation. Usage...

  12. An exactly solvable coarse-grained model for species diversity

    Science.gov (United States)

    Suweis, Samir; Rinaldo, Andrea; Maritan, Amos

    2012-07-01

    We present novel analytical results concerning ecosystem species diversity that stem from a proposed coarse-grained neutral model based on birth-death processes. The relevance of the problem lies in the urgency for understanding and synthesizing both theoretical results from ecological neutral theory and empirical evidence on species diversity preservation. The neutral model of biodiversity deals with ecosystems at the same trophic level, where per capita vital rates are assumed to be species independent. Closed-form analytical solutions for the neutral theory are obtained within a coarse-grained model, where the only input is the species persistence time distribution. Our results pertain to: the probability distribution function of the number of species in the ecosystem, both in transient and in stationary states; the n-point connected time correlation function; and the survival probability, defined as the distribution of time spans to local extinction for a species randomly sampled from the community. Analytical predictions are also tested on empirical data from an estuarine fish ecosystem. We find that emerging properties of the ecosystem are very robust and do not depend on specific details of the model, with implications for biodiversity and conservation biology.

  13. An exactly solvable coarse-grained model for species diversity

    International Nuclear Information System (INIS)

    Suweis, Samir; Maritan, Amos; Rinaldo, Andrea

    2012-01-01

    We present novel analytical results concerning ecosystem species diversity that stem from a proposed coarse-grained neutral model based on birth–death processes. The relevance of the problem lies in the urgency for understanding and synthesizing both theoretical results from ecological neutral theory and empirical evidence on species diversity preservation. The neutral model of biodiversity deals with ecosystems at the same trophic level, where per capita vital rates are assumed to be species independent. Closed-form analytical solutions for the neutral theory are obtained within a coarse-grained model, where the only input is the species persistence time distribution. Our results pertain to: the probability distribution function of the number of species in the ecosystem, both in transient and in stationary states; the n-point connected time correlation function; and the survival probability, defined as the distribution of time spans to local extinction for a species randomly sampled from the community. Analytical predictions are also tested on empirical data from an estuarine fish ecosystem. We find that emerging properties of the ecosystem are very robust and do not depend on specific details of the model, with implications for biodiversity and conservation biology. (paper)

  14. Variations in grain lipophilic phytochemicals, proteins and resistance to Fusarium spp. growth during grain storage as affected by biological plant protection with Aureobasidium pullulans (de Bary).

    Science.gov (United States)

    Wachowska, Urszula; Tańska, Małgorzata; Konopka, Iwona

    2016-06-16

    Modern agriculture relies on an integrated approach, where chemical treatment is reduced to a minimum and replaced by biological control that involves the use of active microorganisms. The effect of the antagonistic yeast-like fungus Aureobasidium pullulans on proteins and bioactive compounds (alkylresorcinols, sterols, tocols and carotenoids) in winter wheat grain and on the colonization of wheat kernels by fungal microbiota, mainly Fusarium spp. pathogens, was investigated. Biological treatment contributed to a slight increase contents of tocols, alkylresorcinols and sterols in grain. At the same time, the variation of wheat grain proteins was low and not significant. Application of A. pullulans enhanced the natural yeast colonization after six months of grain storage and inhibited growth of F. culmorum pathogens penetrating wheat kernel. This study demonstrated that an integrated approach of wheat grain protection with the use of the yeast-like fungus A. pullulans reduced kernel colonization by Fusarium spp. pathogens and increased the content of nutritionally beneficial phytochemicals in wheat grain without a loss of gluten proteins responsible for baking value. Copyright © 2016. Published by Elsevier B.V.

  15. Multiscale modeling of transport of grains through granular assemblies

    Directory of Open Access Journals (Sweden)

    Tejada Ignacio G

    2017-01-01

    Full Text Available We investigate the transport of moderately large passive particles through granular assemblies caused by seeping flows. This process can only be described by highly nonlinear continuum models, since the local permeability, the advection and dispersion mechanisms are strongly determined by the concentration of transported particles. Particles may sometimes get temporally trapped and thus proper kinetic mass transfer models are required. The mass transfer depends on the complexity of the porous medium, the kind of interaction forces and the concentration of transported particles. We study these two issues by means of numerical and laboratory experiments. In the laboratory we use an oedo-permeameter to force sand grains to move through a gravel bed under conditions of constant hydraulic pressure drop. To understand the process, numerical experiments were performed to approach particle transport at the grain scale with a fully coupled method. The DEM-PFV combines the discrete element method with a pore scale finite volume formulation to solve the interstitial fluid flow and particle transport problems. These experiments help us to set up a continuum transport model that can be used in a boundary value problem.

  16. Rate and Timing Effects of Growth Regulating Herbicides Applications on Grain Sorghum (Sorghum bicolor Growth and Yield

    Directory of Open Access Journals (Sweden)

    Thierry E. Besançon

    2016-01-01

    Full Text Available Dicamba and 2,4-D are among the most common and inexpensive herbicides used to control broadleaf weeds. However, different studies have pointed the risk of crop injury and grain sorghum yield reduction with postemergence applications of 2,4-D. No research data on grain sorghum response to 2,4-D or dicamba exists in the Southeastern United States. Consequently, a study was conducted to investigate crop growth and yield response to 2,4-D (100, 220, and 330 g acid equivalent ha−1 and dicamba (280 g acid equivalent ha−1 applied on 20 to 65 cm tall sorghum. Greater stunting resulted from 2,4-D applied at 330 g acid equivalent ha−1 or below 45 cm tall sorghum whereas lodging prevailed with 2,4-D at 330 g acid equivalent ha−1 and dicamba applied beyond 35 cm tall crop. Regardless of local environmental conditions, 2,4-D applied up to 35 cm tall did not negatively impact grain yield. There was a trend for yields to be somewhat lower when 2,4-D was applied on 45 or 55 cm tall sorghum whereas application on 65 cm tall sorghum systematically decreased yields. More caution should be taken with dicamba since yield reduction has been reported as early as applications made on 35 cm tall sorghum for a potentially dicamba sensitive cultivar.

  17. Electric-Loading Enhanced Kinetics in Oxide Ceramics: Pore Migration, Sintering and Grain Growth: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Chen, I-Wei [Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Materials Science & Engineering

    2018-02-02

    Solid oxide fuel cells and solid oxide electrolysis cells rely on solid electrolytes in which a large ionic current dominates. This project was initiated to investigate microstructural changes in such devices under electrochemical forces, because nominally insignificant processes may couple to the large ionic current to yield non-equilibrium phenomena that alter the microstructure. Our studies had focused on yttria-stabilized cubic zirconia (YSZ) widely used in these devices. The experiments have revealed enhanced grain growth at higher temperatures, pore and gas bubble migration at all temperatures, and the latter also lead to enhanced sintering of highly porous ceramics into fully dense ceramics at unprecedentedly low temperatures. These results have shed light on kinetic processes that fall completely outside the realm of classical ceramic processing. Other fast-oxygen oxide ceramics closely related to, and often used in conjunction with zirconia ceramics, have also be investigated, as are closely related scientific problems in zirconia ceramics. These include crystal structures, defects, diffusion kinetics, oxygen potentials, low temperature sintering, flash sintering, and coarsening theory, and all have resulted in greater clarity in scientific understanding. The knowledge is leveraged to provide new insight to electrode kinetics and near-electrode mixed conductivity and to new materials. In the following areas, our research has resulted in completely new knowledge that defines the state-of-the-art of the field. (a) Electrical current driven non-equilibrium phenomena, (b) Enhanced grain growth under electrochemically reducing conditions, (c) Development of oxygen potential polarization in electrically loaded electrolyte, (d) Low temperature sintering and grain growth, and (e) Structure, defects and cation kinetics of fluorite-structured oxides. Our research has also contributed to synthesis of new energy-relevant electrochemical materials and new understanding

  18. Determination of the growth restriction factor and grain size for aluminum alloys by a quasi-binary equivalent method

    International Nuclear Information System (INIS)

    Mitrašinović, A.M.; Robles Hernández, F.C.

    2012-01-01

    Highlights: ► A new method to determine the growth restricting factor. (Q) is proposed ► The proposed method is highly accurate (R 2 = 0.99) and simple. ► A major novelty of this method is the determination of Q for non-dilute samples. ► The method proposed herein is based on quasi-binary phase diagrams and composition. ► This method can be easily implemented industrially or as a research tool. - Abstract: In the present research paper is suggested a new methodology to determine the growth restricting factor (Q) and grain size (GS) for various Al-alloys. The present method combines a thermodynamical component based on the liquidus behavior of each alloying element that is later incorporated into the well known growth restricting models for multi-component alloys. This approach that can be used to determine Q and/or GS based on the chemical composition and the slope of the liquidus temperature of any Al-alloy solidified in close to equilibrium conditions. This method can be modified further in order to assess the effect of cooling rate or thermomechanical processing on growth restricting factor and grain size. In the present paper is proposed a highly accurate (R 2 = 0.99) and validated model for Al–Si alloys, but it can be modified for any other Al–X alloying system. The present method can be used for alloys with relatively high solute content and due to the use of the thermodynamics of liquidus this system considers the poisoning effects of single and multi-component alloying elements.

  19. Finite-Element Thermal Analysis and Grain Growth Behavior of HAZ on Argon Tungsten-Arc Welding of 443 Stainless Steel

    Directory of Open Access Journals (Sweden)

    Yichen Wang

    2016-03-01

    Full Text Available This paper presents a numerical and infrared experimental study of thermal and grain growth behavior during argon tungsten arc welding of 443 stainless steel. A 3D finite element model was proposed to simulate the welding process. The simulations were carried out via the Ansys Parametric Design Language (APDL available in the finite-element code, ANSYS. To validate the simulation accuracy, a series of experiments using a fully-automated welding process was conducted. The results of the numerical analysis show that the simulation weld bead size and the experiment results have good agreement. The grain growth in the heat-affected zone of 443 stainless steel is influenced via three factors: (1 the thermal cycle experienced; (2 grain boundary migration; and (3 particle precipitation. Grain boundary migration is the main factor. The modified coefficient k of the grain growth index is calculated. The value is 1.16. Moreover, the microhardness of the weld bead softened slightly compared to the base metal.

  20. Microstructural characterization and grain growth kinetics of atomized Fe-6%Si alloy

    Energy Technology Data Exchange (ETDEWEB)

    Florio Filho, A.; Bolfarini, C.; Kiminami, C.S. [Dept. de Engenharia de Materiais, Univ. Federal de Sao Carlos, Sao Carlos SP (Brazil)

    2001-07-01

    The microstructural characterization of the overspray powders is considered an important step to evaluate the as-cast microstructure of preforms fabricated by spray forming process. The particles generated during the high pressure gas atomization fly toward a substrate located at the middle height into the atomization chamber and consolidate to a dense deposit. The solidification process begins already during the flight of the droplets and high cooling rate can be achieved by the droplets of the molten metal during the atomization step. Consequently, the microstructure of the preform has some typical features presented by rapidly solidified metals as low level of porosity and segregation and it is strongly influenced by the thermal history of the droplets during flight. In the present work the microstructure of the particles of the Fe-6%Si alloy was analysed by light microscopy and scanning electron microscopy (SEM). The experimental determination of the kinetic exponent n for grain boundary migration in both powder and preform was determined by isothermal treatment under argon atmosphere. It has been stated that the larger the particle size the greater the grain size in Fe-6%Si alloy. It was observed also that the interface morphology is strongly related to the particle size. Furthermore, the grain growth kinetic in the preform seems to not obey the migration mechanism where the self diffusion of elemental Fe drive the boundary displacement. (orig.)

  1. Anomalous grain growth in nanocrystalline Fe73.5Cu1Nb3Su13.5B9 alloys

    DEFF Research Database (Denmark)

    Jiang, Jianzhong

    1997-01-01

    The grain growth of the FeSi phase during the crystallization process of the amorphous Fe73.5Cu1Nb3Si13.5B9 alloy was studied using transmission electron microscopy and x-ray diffractometry. An anomalous grain growth behaviour of the FeSi phase in the samples annealed in temperature range from 743...... to 823 K for one hour was observed, i.e. the grain size of the FeSi phase slightly decreases when the annealing temperature increases from 743 K ot 823 K. The mechanism of the anomalous grain growth may be due to the different nucleation and volume diffusion rates in the samples anneales at low and high...

  2. Coarse Grained Transport Model for Neutrals in Turbulent SOL Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Marandet, Y.; Mekkaoui, A.; Genesio, P.; Rosato, J.; Capes, H.; Godbert-Mouret, L.; Koubiti, M.; Stamm, R., E-mail: yannick.marandet@univ-amu.fr [PIIM, CNRS/Aix-Marseille University, Marseille (France); Reiter, D.; Boerner, P. [IEK4, FZJ, Juelich (Germany)

    2012-09-15

    Full text: Edge plasmas of magnetic fusion devices exhibit strong intermittent turbulence, which governs perpendicular transport of particles and heat. Turbulent fluxes result from the coarse graining procedure used to derive the transport equation, which entails time averaging of the underlying equations governing the turbulent evolution of the electron and ion fluids. In previous works, we have pointed out that this averaging is not carried out on the Boltzmann equation that describes the transport of neutral particles (atoms, molecules) in current edge code suites (such as SOLPS). Since fluctuations in the far SOL are of order unity, calculating the transport of neutral particles, hence the source terms in plasma fluid equations, in the average plasma background might lead to misleading results. In particular, retaining the effects of fluctuations could affect the estimation of the importance of main chamber recycling, hence first wall sputtering by charge exchange atoms, as well as main chamber impurity contamination and transport. In this contribution, we obtain an exact coarse-grained equation for the average neutral density, assuming that density fluctuations are described by multivariate Gamma statistics. This equation is a scattering free Boltzmann equation, where the ionization rate has been renormalized to account for fluctuations. The coarse grained transport model for neutrals has been implemented in the EIRENE code, and applications in 2D geometry with ITER relevant plasma parameters are presented. Our results open the way for the implementation of the effects of turbulent fluctuations on the transport of neutral particles in coupled plasma/neutral edge codes like B2-EIRENE. (author)

  3. Modeling Exponential Population Growth

    Science.gov (United States)

    McCormick, Bonnie

    2009-01-01

    The concept of population growth patterns is a key component of understanding evolution by natural selection and population dynamics in ecosystems. The National Science Education Standards (NSES) include standards related to population growth in sections on biological evolution, interdependence of organisms, and science in personal and social…

  4. Three-dimensional cellular automaton-finite element modeling of solidification grain structures for arc-welding processes

    International Nuclear Information System (INIS)

    Chen, Shijia; Guillemot, Gildas; Gandin, Charles-André

    2016-01-01

    Solidification grain structure has significant impact on the final properties of welded parts using fusion welding processes. Direct simulation of grain structure at industrial scale is yet rarely reported in the literature and remains a challenge. A three-dimensional (3D) coupled Cellular Automaton (CA) – Finite Element (FE) model is presented that predicts the grain structure formation during multiple passes Gas Tungsten Arc Welding (GTAW) and Gas Metal Arc Welding (GMAW). The FE model is established in a level set (LS) approach that tracks the evolution of the metal-shielding gas interface due to the addition of metal. The FE method solves the mass, energy and momentum conservation equations for the metal plus shielding gas system based on an adaptive mesh (FE mesh). Fields are projected in a second FE mesh, named CA mesh. A CA grid made of a regular lattice of cubic cells is created to overlay the fixed CA mesh. The CA model based on the CA grid simulates the melting and growth of the grain boundaries in the liquid pool. In order to handle large computational domains while keeping reasonable computational costs, parallel computations and dynamic strategies for the allocation/deallocation of the CA grid are introduced. These strategies correspond to significant optimizations of the computer memories that are demonstrated. The 3D CAFE model is first applied to the simple configuration of single linear passes by GTAW of a duplex stainless steel URANUS 2202. It is then applied to a more persuasive example considering GMAW in spray transfer mode during multiple passes to fill a V-groove chamfer. Simulations reveal the possibility to handle domains with millions of grains in representative domain sizes while following the formation of textures that result from the growth competition among columnar grains. -- Graphical abstract: Simulated 3D grain structure (3D CAFE model) for GTAW multiple linear passes at the surface of a duplex stainless steel (URANUS 22002

  5. Model Reduction and Coarse-Graining Approaches for Multiscale Phenomena

    CERN Document Server

    Gorban, Alexander N; Theodoropoulos, Constantinos; Kazantzis, Nikolaos K; Öttinger, Hans Christian

    2006-01-01

    Model reduction and coarse-graining are important in many areas of science and engineering. How does a system with many degrees of freedom become one with fewer? How can a reversible micro-description be adapted to the dissipative macroscopic model? These crucial questions, as well as many other related problems, are discussed in this book. Specific areas of study include dynamical systems, non-equilibrium statistical mechanics, kinetic theory, hydrodynamics and mechanics of continuous media, (bio)chemical kinetics, nonlinear dynamics, nonlinear control, nonlinear estimation, and particulate systems from various branches of engineering. The generic nature and the power of the pertinent conceptual, analytical and computational frameworks helps eliminate some of the traditional language barriers, which often unnecessarily impede scientific progress and the interaction of researchers between disciplines such as physics, chemistry, biology, applied mathematics and engineering. All contributions are authored by ex...

  6. Gas-Grain Models for Interstellar Anion Chemistry

    Science.gov (United States)

    Cordiner, M. A.; Charnely, S. B.

    2012-01-01

    Long-chain hydrocarbon anions C(sub n) H(-) (n = 4, 6, 8) have recently been found to be abundant in a variety of interstellar clouds. In order to explain their large abundances in the denser (prestellar/protostellar) environments, new chemical models are constructed that include gas-grain interactions. Models including accretion of gas-phase species onto dust grains and cosmic-ray-induced desorption of atoms are able to reproduce the observed anion-to-neutral ratios, as well as the absolute abundances of anionic and neutral carbon chains, with a reasonable degree of accuracy. Due to their destructive effects, the depletion of oxygen atoms onto dust results in substantially greater polyyne and anion abundances in high-density gas (with n(sub H2) approx > / cubic cm). The large abundances of carbon-chain-bearing species observed in the envelopes of protostars such as L1527 can thus be explained without the need for warm carbon-chain chemistry. The C6H(-) anion-to-neutral ratio is found to be most sensitive to the atomic O and H abundances and the electron density. Therefore, as a core evolves, falling atomic abundances and rising electron densities are found to result in increasing anion-to-neutral ratios. Inclusion of cosmic-ray desorption of atoms in high-density models delays freeze-out, which results in a more temporally stable anion-to-neutral ratio, in better agreement with observations. Our models include reactions between oxygen atoms and carbon-chain anions to produce carbon-chain-oxide species C6O, C7O, HC6O, and HC7O, the abundances of which depend on the assumed branching ratios for associative electron detachment

  7. Modelling grain-scattered ultrasound in austenitic stainless-steel welds: A hybrid model

    International Nuclear Information System (INIS)

    Nowers, O.; Duxbury, D. J.; Velichko, A.; Drinkwater, B. W.

    2015-01-01

    The ultrasonic inspection of austenitic stainless steel welds can be challenging due to their coarse grain structure, charaterised by preferentially oriented, elongated grains. The anisotropy of the weld is manifested as both a ‘steering’ of the beam and the back-scatter of energy due to the macroscopic granular structure of the weld. However, the influence of weld properties, such as mean grain size and orientation distribution, on the magnitude of scattered ultrasound is not well understood. A hybrid model has been developed to allow the study of grain-scatter effects in austenitic welds. An efficient 2D Finite Element (FE) method is used to calculate the complete scattering response from a single elliptical austenitic grain of arbitrary length and width as a function of the specific inspection frequency. A grain allocation model of the weld is presented to approximate the characteristic structures observed in austenitic welds and the complete scattering behaviour of each grain calculated. This model is incorporated into a semi-analytical framework for a single-element inspection of a typical weld in immersion. Experimental validation evidence is demonstrated indicating excellent qualitative agreement of SNR as a function of frequency and a minimum SNR difference of 2 dB at a centre frequency of 2.25 MHz. Additionally, an example Monte-Carlo study is presented detailing the variation of SNR as a function of the anisotropy distribution of the weld, and the application of confidence analysis to inform inspection development

  8. Coarse-Grained Model for Water Involving a Virtual Site.

    Science.gov (United States)

    Deng, Mingsen; Shen, Hujun

    2016-02-04

    In this work, we propose a new coarse-grained (CG) model for water by combining the features of two popular CG water models (BMW and MARTINI models) as well as by adopting a topology similar to that of the TIP4P water model. In this CG model, a CG unit, representing four real water molecules, consists of a virtual site, two positively charged particles, and a van der Waals (vdW) interaction center. Distance constraint is applied to the bonds formed between the vdW interaction center and the positively charged particles. The virtual site, which carries a negative charge, is determined by the locations of the two positively charged particles and the vdW interaction center. For the new CG model of water, we coined the name "CAVS" (charge is attached to a virtual site) due to the involvment of the virtual site. After being tested in molecular dynamic (MD) simulations of bulk water at various time steps, under different temperatures and in different salt (NaCl) concentrations, the CAVS model offers encouraging predictions for some bulk properties of water (such as density, dielectric constant, etc.) when compared to experimental ones.

  9. Enhancement of Growth and Grain Yield of Rice in Nutrient Deficient Soils by Rice Probiotic Bacteria

    Institute of Scientific and Technical Information of China (English)

    Md Mohibul Alam KHAN; Effi HAQUE; Narayan Chandra PAUL; Md Abdul KHALEQUE; Saleh M. S. AL-GARNI; Mahfuzur RAHMAN; Md Tofazzal ISLAM

    2017-01-01

    Plant associated bacteria are promising alternatives to chemical fertilizers for plant growth and yield improvement in an eco-friendly manner. In this study, rice associated bacteria were isolated and assessed for mineral phosphate solubilization and indole-3-acetic acid (IAA) production activity in vitro. Six promising strains, which were tentatively identified as phylotaxon Pseudochrobactrum sp. (BRRh-1), Burkholderia sp. (BRRh-2), Burkholderia sp. (BRRh-3), Burkholderia sp. (BRRh-4), Pseudomonas aeruginosa (BRRh-5 and BRRh-6) based on their 16S rRNA gene phylogeny, exhibited significant phosphate solubilizing activity in National Botanical Research Institute phosphate growth medium, and BRRh-4 displayed the highest phosphate solubilizing activity, followed by BRRh-5. The pH of the culture broth declined, resulting in increase of growth rate of bacteria at pH 7, which might be due to organic acid secretion by the strains. In presence of L-tryptophan, five isolates synthesized IAA and the maximum IAA was produced by BRRh-2, followed by BRRh-1. Application of two most efficient phosphate solubilizing isolates BRRh-4 and BRRh-5 by root dipping (colonization) of seedling and spraying at the flowering stage significantly enhanced the growth and grain yield of rice variety BRRI dhan-29. Interestingly, application of both strains with 50% of recommended nitrogen, phosphorus and potassium fertilizers produced equivalent or higher grain yield of rice compared to the control grown with full recommended fertilizer doses, which suggests that these strains may have the potential to be used as bioinoculants for sustainable rice production.

  10. Residual-stress-induced grain growth of twinned grains and its effect on formability of magnesium alloy sheet at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Se-Jong [Korea Institute of Material Science, 66 Sangnam-dong, C-si, Gyeongnam 641-831 (Korea, Republic of); Kim, Daeyong, E-mail: daeyong@kims.re.kr [Korea Institute of Material Science, 66 Sangnam-dong, C-si, Gyeongnam 641-831 (Korea, Republic of); Lee, Keunho; Cho, Hoon-Hwe; Han, Heung Nam [Department of Materials Science and Engineering and RIAM, Seoul National University, Seoul 151-744 (Korea, Republic of)

    2015-11-15

    A magnesium alloy sheet was subjected to in-plane compression along with a vertical load to avoid buckling during compression. Pre-compressed specimens machined from the sheet were annealed at different temperatures and the changes in microstructure and texture were observed using electron back scattered diffraction (EBSD). Twinned grains preferentially grew during annealing at 300 °C, so that a strong texture with the < 0001 > direction parallel to the transverse direction developed. EBSD analysis confirmed that the friction caused by the vertical load induced inhomogeneous distribution of residual stress, which acted as an additional driving force for preferential grain growth of twinned grain during annealing. The annealed specimen showed excellent formability. - Highlights: • A magnesium alloy sheet subjected to in-plane compression under a vertical load • The vertical load induced inhomogeneous distribution of the residual stress. • The residual stress acted as an additional driving force for grain growth. • The annealed specimen with strong non-basal texture showed excellent formability.

  11. A Numerical Model of Anisotropic Mass Transport Through Grain Boundary Networks

    Science.gov (United States)

    Wang, Yibo

    Tin (Sn) thin films are commonly used in electronic circuit applications as coatings on contacts and solders for joining components. It is widely observed, for some such system, that whiskers---long, thin crystalline structures---emerge and grow from the film. The Sn whisker phenomenon has become a highly active research area since Sn whiskers have caused a large amount of damage and loss in manufacturing, military, medical and power industries. Though lead (Pb) addition to Sn has been used to solve this problem for over five decades, the adverse environmental and health effects of Pb have motivated legislation to severely constrain Pb use in society. People are researching and seeking the reasons which cause whiskers and corresponding methods to solve the problem. The contributing factors to cause a Sn whisker are potentially many and much still remains unknown. Better understanding of fundamental driving forces should point toward strategies to improve (a) the accuracy with which we can predict whisker formation, and (b) our ability to mitigate the phenomenon. This thesis summarizes recent important research achievements in understanding Sn whisker formation and growth, both experimentally and theoretically. Focus is then placed on examining the role that anisotropy in grain boundary diffusivity plays in determining whisker characteristics (specifically, whether they form and, if so, where on a surface). To study this aspect of the problem and to enable future studies on stress driven grain boundary diffusion, this thesis presents a numerical anisotropic mass transport model. In addition to presenting details of the model and implementation, model predictions for a set of increasingly complex grain boundary networks are discussed. Preliminary results from the model provide evidence that anisotropic grain boundary diffusion may be a primary driving mechanism in whisker formation.

  12. Applications of discrete element method in modeling of grain postharvest operations

    Science.gov (United States)

    Grain kernels are finite and discrete materials. Although flowing grain can behave like a continuum fluid at times, the discontinuous behavior exhibited by grain kernels cannot be simulated solely with conventional continuum-based computer modeling such as finite-element or finite-difference methods...

  13. Multi-model uncertainty analysis in predicting grain N for crop rotations in Europe

    DEFF Research Database (Denmark)

    Yin, Xiaogang; Kersebaum, Kurt C; Kollas, Chris

    2017-01-01

    Realistic estimation of grain nitrogen (N; N in grain yield) is crucial for assessing N management in crop rotations, but there is little information on the performance of commonly used crop models for simulating grain N. Therefore, the objectives of the study were to (1) test if continuous simul...

  14. Parameters for modelling the interception and retention of deposits from atmosphere by grain and leafy vegetables

    International Nuclear Information System (INIS)

    Simmonds, J.R.; Linsley, G.S.

    1982-01-01

    The Normalised Specific Activity (NSA), a quantity which relates the concentration of a contaminant per unit mass of vegetation to its daily rate of ground deposition, has been used as the basis for determining interception factors and retention half-lives for radioactive contaminants deposited on grain and leafy vegetables. The values are for use in assessing contamination levels on crops at harvest during condition of continuous deposition. The approach implicitly takes account of other processes which influence foliar contamination, namely, translocation and dilution due to plant growth. The respective NSA values for grain and prepared leafy vegetables determined from several separate experimental studies are fairly constant and are of about the same level for fall-out strontium and caesium. There is evidence from previous studies on herbage to suggest that similar NSA values might be expected for other contaminants on grain and leafy vegetables. Plutonium is an exception in that NSA values for grain and prepared leafy vegetables are lower than those for the fission products by factors of between 5 and 10 depending upon the source of the contaminant. Consideration has been given to determining the most appropriate value of the fraction of activity transferred from grain to flour during refining. This is an element dependent parameter and the values estimated for strontium, caesium and plutonium are respectively 0.15, 0.5 and 0.1. The study has indicated the need for data in several areas in order to improve the capability to model interception and retention on field crops in continuous and acute release conditions. (author)

  15. Effects of Grain Boundaries and Dislocation Cell Walls on Void Nucleation and Growth in Aluminium during Fast Neutron Irradiation

    DEFF Research Database (Denmark)

    Horsewell, Andy; Rahman, F. A.; Singh, Bachu Narain

    1983-01-01

    and growth occurs in a zone extending up to 10 mu m from grain boundaries in annealed material. In polygonized material, the presence of dislocation cell walls leads to cell size dependent void formation and growth; the swelling rate in the large cells is substantially higher than in the annealed material....

  16. Testing the responses of four wheat crop models to heat stress at anthesis and grain filling.

    Science.gov (United States)

    Liu, Bing; Asseng, Senthold; Liu, Leilei; Tang, Liang; Cao, Weixing; Zhu, Yan

    2016-05-01

    Higher temperatures caused by future climate change will bring more frequent heat stress events and pose an increasing risk to global wheat production. Crop models have been widely used to simulate future crop productivity but are rarely tested with observed heat stress experimental datasets. Four wheat models (DSSAT-CERES-Wheat, DSSAT-Nwheat, APSIM-Wheat, and WheatGrow) were evaluated with 4 years of environment-controlled phytotron experimental datasets with two wheat cultivars under heat stress at anthesis and grain filling stages. Heat stress at anthesis reduced observed grain numbers per unit area and individual grain size, while heat stress during grain filling mainly decreased the size of the individual grains. The observed impact of heat stress on grain filling duration, total aboveground biomass, grain yield, and grain protein concentration (GPC) varied depending on cultivar and accumulated heat stress. For every unit increase of heat degree days (HDD, degree days over 30 °C), grain filling duration was reduced by 0.30-0.60%, total aboveground biomass was reduced by 0.37-0.43%, and grain yield was reduced by 1.0-1.6%, but GPC was increased by 0.50% for cv Yangmai16 and 0.80% for cv Xumai30. The tested crop simulation models could reproduce some of the observed reductions in grain filling duration, final total aboveground biomass, and grain yield, as well as the observed increase in GPC due to heat stress. Most of the crop models tended to reproduce heat stress impacts better during grain filling than at anthesis. Some of the tested models require improvements in the response to heat stress during grain filling, but all models need improvements in simulating heat stress effects on grain set during anthesis. The observed significant genetic variability in the response of wheat to heat stress needs to be considered through cultivar parameters in future simulation studies. © 2016 John Wiley & Sons Ltd.

  17. Multiscale model of metal alloy oxidation at grain boundaries

    International Nuclear Information System (INIS)

    Sushko, Maria L.; Alexandrov, Vitaly; Schreiber, Daniel K.; Rosso, Kevin M.; Bruemmer, Stephen M.

    2015-01-01

    High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr 2 O 3 . This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl 2 O 4 . Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr 2 O 3 has a plate-like structure with 1.2–1.7 nm wide pores running along the grain boundary, while NiAl 2 O 4 has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular direction providing an additional

  18. Post-irradiation annealing of coarse-grained model alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ray, P H.N.; Wilson, C; McElroy, R J [AEA Reactor Services, Harwell (United Kingdom)

    1994-12-31

    Thermal ageing and irradiation studies have been carried out on three model alloys (JPC, JPB, JPG) that have identical compositions except for different levels of phosphorus and/or copper. They have been irradiated in three conditions, as-received, heat treated to produce a coarse grained microstructure (similar to heat-affected-zone), and in this condition further aged at 450 C to produce a temper embrittled condition. One of the alloy have been subject to a post-irradiation anneal. The effect of these treatments on mechanical property changes has been characterized by Charpy testing and Vickers hardness measurements; the phosphorus segregation has been studied by a combination of STEM and Auger techniques.

  19. A coarse-grained model for DNA origami.

    Science.gov (United States)

    Reshetnikov, Roman V; Stolyarova, Anastasia V; Zalevsky, Arthur O; Panteleev, Dmitry Y; Pavlova, Galina V; Klinov, Dmitry V; Golovin, Andrey V; Protopopova, Anna D

    2018-02-16

    Modeling tools provide a valuable support for DNA origami design. However, current solutions have limited application for conformational analysis of the designs. In this work we present a tool for a thorough study of DNA origami structure and dynamics. The tool is based on a novel coarse-grained model dedicated to geometry optimization and conformational analysis of DNA origami. We explored the ability of the model to predict dynamic behavior, global shapes, and fine details of two single-layer systems designed in hexagonal and square lattices using atomic force microscopy, Förster resonance energy transfer spectroscopy, and all-atom molecular dynamic simulations for validation of the results. We also examined the performance of the model for multilayer systems by simulation of DNA origami with published cryo-electron microscopy and atomic force microscopy structures. A good agreement between the simulated and experimental data makes the model suitable for conformational analysis of DNA origami objects. The tool is available at http://vsb.fbb.msu.ru/cosm as a web-service and as a standalone version.

  20. Microstructural modelling of creep crack growth from a blunted crack

    NARCIS (Netherlands)

    Onck, P.R.; Giessen, E. van der

    1998-01-01

    The effect of crack tip blunting on the initial stages of creep crack growth is investigated by means of a planar microstructural model in which grains are represented discretely. The actual linking-up process of discrete microcracks with the macroscopic crack is simulated, with full account of the

  1. Drought priming at vegetative growth stages improves tolerance to drought and heat stresses occurring during grain filling in spring wheat

    DEFF Research Database (Denmark)

    Wang, Xiao; Vignjevic, Marija; Liu, Fulai

    2015-01-01

    Plants of spring wheat (Triticum aestivum L. cv. Vinjett) were exposed to moderate water deficit at the vegetative growth stages six-leaf and/or stem elongation to investigate drought priming effects on tolerance to drought and heat stress events occurring during the grain filling stage. Compared......Plants of spring wheat (Triticum aestivum L. cv. Vinjett) were exposed to moderate water deficit at the vegetative growth stages six-leaf and/or stem elongation to investigate drought priming effects on tolerance to drought and heat stress events occurring during the grain filling stage...... of abscisic acid in primed plants under drought stress could contribute to higher grain yield compared to the non-primed plants. Taken together, the results indicate that drought priming during vegetative stages improved tolerance to both drought and heat stress events occurring during grain filling in wheat....

  2. Investigation of the instability and low water kefir grain growth during an industrial water kefir fermentation process.

    Science.gov (United States)

    Laureys, David; Van Jean, Amandine; Dumont, Jean; De Vuyst, Luc

    2017-04-01

    A poorly performing industrial water kefir production process consisting of a first fermentation process, a rest period at low temperature, and a second fermentation process was characterized to elucidate the causes of its low water kefir grain growth and instability. The frozen-stored water kefir grain inoculum was thawed and reactivated during three consecutive prefermentations before the water kefir production process was started. Freezing and thawing damaged the water kefir grains irreversibly, as their structure did not restore during the prefermentations nor the production process. The viable counts of the lactic acid bacteria and yeasts on the water kefir grains and in the liquors were as expected, whereas those of the acetic acid bacteria were high, due to the aerobic fermentation conditions. Nevertheless, the fermentations progressed slowly, which was caused by excessive substrate concentrations resulting in a high osmotic stress. Lactobacillus nagelii, Lactobacillus paracasei, Lactobacillus hilgardii, Leuconostoc mesenteroides, Bifidobacterium aquikefiri, Gluconobacter roseus/oxydans, Gluconobacter cerinus, Saccharomyces cerevisiae, and Zygotorulaspora florentina were the most prevalent microorganisms. Lb. hilgardii, the microorganism thought to be responsible for water kefir grain growth, was not found culture-dependently, which could explain the low water kefir grain growth of this industrial process.

  3. Transferable coarse-grained model for perfluorosulfonic acid polymer membranes

    Science.gov (United States)

    Kuo, An-Tsung; Okazaki, Susumu; Shinoda, Wataru

    2017-09-01

    Perfluorosulfonic acid (PFSA) polymer membranes are widely used as proton exchange membranes. Because the structure of the aqueous domain within the PFSA membrane is expected to directly influence proton conductance, many coarse-grained (CG) simulation studies have been performed to investigate the membrane morphology; these studies mostly used phenomenological models, such as dissipative particle dynamics. However, a chemically accurate CG model is required to investigate the morphology in realistic membranes and to provide a concrete molecular design. Here, we attempt to construct a predictive CG model for the structure and morphology of PFSA membranes that is compatible with the Sinoda-DeVane-Klein (SDK) CG water model [Shinoda et al., Mol. Simul. 33, 27 (2007)]. First, we extended the parameter set for the SDK CG force field to examine a hydrated PFSA membrane based on thermodynamic and structural data from experiments and all-atom (AA) molecular dynamics (MD) simulations. However, a noticeable degradation of the morphology motivated us to improve the structural properties by using the iterative Boltzmann inversion (IBI) approach. Thus, we explored a possible combination of the SDK and IBI approaches to describe the nonbonded interaction. The hybrid SDK/IBI model improved the structural issues of SDK, showing a better agreement with AA-MD in the radial distribution functions. The hybrid SDK/IBI model was determined to reasonably reproduce both the thermodynamic and structural properties of the PFSA membrane for all examined water contents. In addition, the model demonstrated good transferability and has considerable potential for application to realistic long-chained PFSA membranes.

  4. Modeling Population Growth and Extinction

    Science.gov (United States)

    Gordon, Sheldon P.

    2009-01-01

    The exponential growth model and the logistic model typically introduced in the mathematics curriculum presume that a population grows exclusively. In reality, species can also die out and more sophisticated models that take the possibility of extinction into account are needed. In this article, two extensions of the logistic model are considered,…

  5. [Impacts of drought stress on the growth and development and grain yield of spring maize in Northeast China].

    Science.gov (United States)

    Ji, Rui-Peng; Che, Yu-Sheng; Zhu, Yong-Ning; Liang, Tao; Feng, Rui; Yu, Wen-Ying; Zhang, Yu-Shu

    2012-11-01

    Taking spring maize variety Danyu-39 as test object, an experiment was conducted in a large-scale agricultural water controlling experimental field to study the impacts of drought stress at three key growth stages, i. e. , 3-leaf-jointing, jointing-silking, and silking-milk ripe, on the growth and development and grain yield of spring maize in Northeast China. Two treatments were installed, including moderate drought stress (MS) and re-watering to suitable water (CK). Compared with CK, the MS at 3-leaf-jointing stage postponed the whole growth period of Danyu-39 by 13 d, and the plant height and leaf area at jointing stage were decreased by 29.8% and 41.2%, respectively. After re-watering, the plant height and grain yield recovered obviously, and the differences in ear characteristics and final yield were insignificant. The MS at jointing-silking stage shortened the whole growth period by 7 d, the plant height and leaf area at silking stage were decreased by 18.6% and 14.1%, respectively, the ear length, grain number per ear, ear dry mass, and grain mass per ear decreased by 6.9%, 19.1%, 28.1%, and 29.4%, respectively, and the blank stem rate increased by 13.3%. When the maize suffered from moderate drought stress at silking-milk ripe stage, the whole growth period was shortened by 15 d, the plant height and leaf area at milk ripe stage were decreased by 2.3% and 37.3%, respectively, the ear length, grain number per ear, ear dry mass, and grain mass per ear decreased by 9.2%, 24.1%, 30.8%, and 27.9%, respectively, and the blank stem rate increased by 24.5%. After re-watering at the latter two stages, the recovery of plant height was little, and the grain yield decreased significantly.

  6. Phase transformation and grain growth behavior of a nanocrystalline 18/8 stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Kotan, Hasan, E-mail: hasankotan@gmail.com [Konya Necmettin Erbakan University, Department of Metallurgical & Materials Engineering, Konya 42090 (Turkey); Darling, Kris A. [US Army Research Laboratory, Weapons and Materials Research Directorate, RDRL-WMM-F, Aberdeen Proving Ground, MD 21005-5069 (United States)

    2017-02-16

    Fe-18Cr-8Ni and Fe-18Cr-8Ni-1Y (at%) stainless steel powders were nanostructured by mechanical alloying from elemental powders and subjected to 90 min annealing treatments at various temperatures. The microstructural evolutions as a function of alloy compositions and temperatures were investigated by in-situ and ex-situ x-ray diffraction experiments, transmission electron microscopy and focused ion beam microscopy. The dependence of hardness on the microstructure was utilized to study the mechanical changes. It was found that the resulting microstructures by mechanical alloying were bcc solid solution, the so-called α’-martensite structure. The high temperature in-situ x-ray diffraction experiments showed that the martensite-to-austenite reverse phase transformation was completed above 800 and 900 °C for Fe-18Cr-8Ni and Fe-18Cr-8Ni-1Y steels, respectively. A partial or complete retransformation to martensite was observed upon cooling to room temperature. Annealing of nanocrystalline Fe-18Cr-8Ni steel yielded grain growth reaching to micron sizes at 1100 °C while addition of 1 at% yttrium stabilized the microstructure around 160 nm grain size and 6 GPa hardness after 90 min annealing at 1200 °C.

  7. GROWTH PERFORMANCE AND CARCASS COMPOSITION OF RABBITS FED ON DIETS OF GRADUAL LEVELS OF BARLEY GRAIN

    Directory of Open Access Journals (Sweden)

    M.M. El-Adawy

    2012-05-01

    Full Text Available Forty-eight male New Zealand White rabbits of 6 weeks age (BW 875 ± 28.3 g were randomly allocated among six groups in different levels of barley grains (BG; 0 (B0, 5 (B5, 10 (B10, 15 (B15, 20 (B20, 25% (B25 of the total diet on growth performance and carcass composition of rabbits . The highest live BW value (P < 0.05 was obtained in B20 rabbits, whereas the highest feed intake (P < 0.05 value was obtained in B25 rabbits followed by those fed on the other diets. The better-feed conversion ratio (FCR was obtained in B20 rabbits followed by those of B15 and B25. Animals of B20 had better FCR than those of the other experimental diets. The relative contribution of soft feces to dry matter or crude protein intake differed (P < 0.05 among the experimental diets. The caecal turnover rate was increased (P < 0.05 in B15 and B20 rabbits than those other diets. The per-slaughter weight, hot and cold carcass weight and dressing percentage were differed (P < 0.05 among the experimental groups and highest values were recorded in B20 rabbits. Data suggested that a partial replacement of corn grains (CG by 20% BG in rabbit diets was increased live body weight, feed intake and feed conversion ratio.

  8. Representing the Marginal Stability of Peptides in Coarse Grained Models

    Science.gov (United States)

    Sayar, Mehmet; Dalgicdir, Cahit; Ramezanghorbani, Farhad

    Tertiary structure of proteins is only marginally stable; such that the folded structure is separated from local minima by as little as 10 kcal/mol. In particular for intrinsically disordered peptides, this marginal stability is key to understanding their complex behavior. Bottom-up coarse grained (CG) models for proteins/peptides which rely on structural and/or thermodynamic reference data from experiments or all atom simulations inherently focus on the equilibrium structure and fail to capture the conformational dynamics of the molecule. In this study, we present a CG model for a synthetic peptide, LK, which successfully captures the conformational flexibility of the molecule in different environments. LK peptide is composed of leucine and lysine residues and displays a stark conformational transition from a degenerate conformation in dilute solution to a fully stable alpha-helix at macroscopic and molecular interfaces. In this study we demonstrate that by carefully combining atomistic references from both the unfolded and folded states, one can create a CG model that can represent not only the folded state, but also the conformational transitions that the peptide exhibits in response to changes in the environment. M. Sayar thanks TÜBİTAK (Grant No. 212T184) and TÜBA Distinguished Young Scientist Award (2012 awardee) for financial support.

  9. Growth behavior of fatigue cracks in ultrafine grained Cu smooth specimens with a small hole

    Directory of Open Access Journals (Sweden)

    Masahiro Goto

    2015-10-01

    Full Text Available In order to study the growth mechanism of fatigue cracks in ultrafine grained copper, stresscontrolled fatigue tests of round-bar specimens with a small blind hole as a crack starter were conducted. The hole was drilled on the surface where an intersection between the shear plane of the final ECAP processing and the specimen surface makes an angle of 45° or 90° with respect to the loading axis. At a low stress (  a = 90 MPa, the direction of crack paths was nearly perpendicular to the loading direction regardless of the location of the hole. Profile of crack face was examined, showing the aspect ratio (b/a of b/a = 0.82. At a high stress (  a = 240 MPa, although the growth directions inclined 45° and 90° to the loading-axis were observed depending on the location of the drilling hole, crack faces in these cracks were extended along one set of maximum shear stress planes, corresponding to the final ECAP shear plane. The value of aspect ratios was b/a = 0.38 and 1.10 for the cracks with 45° and 90° inclined path directions, respectively. The role of deformation mode at the crack tip areas on crack growth behavior were discussed in terms of the mixed-mode stress intensity factor. The crack path formation at high stress amplitudes was affected by the in-plane shear-mode deformation at the crack tip.

  10. Stochastic models for tumoral growth

    Science.gov (United States)

    Escudero, Carlos

    2006-02-01

    Strong experimental evidence has indicated that tumor growth belongs to the molecular beam epitaxy universality class. This type of growth is characterized by the constraint of cell proliferation to the tumor border and the surface diffusion of cells at the growing edge. Tumor growth is thus conceived as a competition for space between the tumor and the host, and cell diffusion at the tumor border is an optimal strategy adopted for minimizing the pressure and helping tumor development. Two stochastic partial differential equations are reported in this paper in order to correctly model the physical properties of tumoral growth in (1+1) and (2+1) dimensions. The advantage of these models is that they reproduce the correct geometry of the tumor and are defined in terms of polar variables. An analysis of these models allows us to quantitatively estimate the response of the tumor to an unfavorable perturbation during growth.

  11. Effects of seed geometry on the crystal growth and the magnetic properties of single grain REBCO bulk superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hwi Joo; Lee, Hee Gyoun [Korea Polytechnic University, Siheung (Korea, Republic of); Park, Soon Dong; Jun, Bung Hyack; Kim, Chan Joong [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2017-09-15

    This study presents that the orientation and the geometry of seed affect on the growth behavior of melt processed single grain REBCO bulk superconductor and its magnetic properties. The effects of seed geometry have been investigated for thin 30mm x 30mm rectangular powder compacts. Single grain REBCO bulk superconductors have been grown successfully by a top seed melt growth method for 8-mm thick vertical thin REBCO slab. Asymmetric structures have been developed at the front surface and at the rear surface of the specimen. Higher magnetic properties have been obtained for the specimen that c-axis is normal to the specimen surface. The relationships between microstructure, grain growth and magnetic properties have been discussed.

  12. Towards Sustainable Growth Business Models

    Energy Technology Data Exchange (ETDEWEB)

    Kamp-Roelands, N.; Balkenende, J.P.; Van Ommen, P.

    2012-03-15

    The Dutch Sustainable Growth Coalition (DSGC) has the following objectives: The DSGC aims to pro-actively drive sustainable growth business models along three lines: (1) Shape. DSGC member companies aim to connect economic profitability with environmental and social progress on the basis of integrated sustainable growth business models; (2) Share. DSGC member companies aim for joint advocacy of sustainable growth business models both internationally and nationally; and (3) Stimulate. DSGC member companies aim to stimulate and influence the policy debate on enabling sustainable growth - with a view to finding solutions to the environmental and social challenges we are facing. This is their first report. The vision, actions and mission of DSGC are documented in the Manifesto in Chapter 2 of this publication. Chapter 3 contains an overview of key features of an integrated sustainable growth business model and the roadmap towards such a model. In Chapter 4, project examples of DSGC members are presented, providing insight into the hands-on reality of implementing the good practices. Chapter 5 offers an overview of how the Netherlands provides an enabling environment for sustainable growth business models. Chapter 6 offers the key conclusions.

  13. Root growth, soil water variation, and grain yield response of winter wheat to supplemental irrigation

    Directory of Open Access Journals (Sweden)

    Jianguo Man

    2016-04-01

    Full Text Available Water shortage threatens agricultural sustainability in the Huang-Huai-Hai Plain of China. Thus, we investigated the effect of supplemental irrigation (SI on the root growth, soil water variation, and grain yield of winter wheat in this region by measuring the moisture content in different soil layers. Prior to SI, the soil water content (SWC at given soil depths was monitored to calculate amount of irritation water that can rehydrate the soil to target SWC. The SWC before SI was monitored to depths of 20, 40, and 60 cm in treatments of W20, W40, and W60, respectively. Rainfed treatment with no irrigation as the control (W0. The mean root weight density (RWD, triphenyl tetrazolium chloride reduction activity (TTC reduction activity, soluble protein (SP concentrations as well as catalase (CAT, and superoxide dismutase (SOD activities in W40 and W60 treatments were significantly higher than those in W20. The RWD in 60–100 cm soil layers and the root activity, SP concentrations, CAT and SOD activities in 40–60 cm soil layers in W40 treatment were significantly higher than those in W20 and W60. W40 treatment is characterized by higher SWC in the upper soil layers but lower SWC in the 60–100-cm soil layers during grain filling. The soil water consumption (SWU in the 60–100 cm soil layers from anthesis after SI to maturity was the highest in W40. The grain yield, water use efficiency (WUE, and irrigation water productivity were the highest in W40, with corresponding mean values of 9169 kg ha−1, 20.8 kg ha−1 mm−1, and 35.5 kg ha−1 mm−1. The RWD, root activities, SP concentrations, CAT and SOD activities, and SWU were strongly positively correlated with grain yield and WUE. Therefore, the optimum soil layer for SI of winter wheat after jointing is 0–40 cm.

  14. B2 Grain Growth Behavior of a Ti-22Al-25Nb Alloy Fabricated by Hot Pressing Sintering

    Science.gov (United States)

    Jia, Jianbo; Liu, Wenchao; Xu, Yan; Chen, Chen; Yang, Yue; Luo, Junting; Zhang, Kaifeng

    2018-05-01

    Grain growth behavior of a powder metallurgy (P/M) Ti-22Al-25Nb alloy was investigated by applying a series of isothermal treatment tests over a wide range of temperatures and holding times. An isothermal treatment scheme was conducted in the B2 phase region (1070-1110 °C) and α 2 + B2 phase region (1010-1050 °C) at holding times of 10, 30 min, 1, 2, and 3 h, respectively. The effects of temperature and holding time on the microstructure evolution and microhardness of the P/M Ti-22Al-25Nb alloy at elevated temperatures were evaluated using optical microscope, scanning electron microscope, x-ray diffraction, and Vickers hardness test techniques. The results revealed that the alloy's treated microstructure was closely linked to temperature and holding time, respectively. The change law of B2 grain growth with holding time and temperature can be well interpreted by the Beck equation and Hillert equation, respectively. The B2 grain growth exponent n and activation energy Q were acquired based on experimental data in the α 2 + B2 and B2 phase regions. In addition, the grain growth contour map for the P/M Ti-22Al-25Nb alloy was constructed to depict variations in B2 grain size based on holding time and temperature.

  15. Giant grains

    International Nuclear Information System (INIS)

    Leitch-Devlin, M.A.; Millar, T.J.; Williams, D.A.

    1976-01-01

    Infrared observations of the Orion nebula have been interpreted by Rowan-Robinson (1975) to imply the existence of 'giant' grains, radius approximately 10 -2 cm, throughout a volume about a parsec in diameter. Although Rowan-Robinson's model of the nebula has been criticized and the presence of such grains in Orion is disputed, the proposition is accepted, that they exist, and in this paper situations in which giant grains could arise are examined. It is found that, while a giant-grain component to the interstellar grain density may exist, it is difficult to understand how giant grains arise to the extent apparently required by the Orion nebula model. (Auth.)

  16. Relaxing the Small Particle Approximation for Dust-grain opacities in Carbon-star Wind Models

    OpenAIRE

    Mattsson, Lars; Höfner, Susanne

    2010-01-01

    We have computed wind models with time-dependent dust formation and grain-size dependent opacities, where (1) the problem is simplified by assuming a fixed dust-grain size, and where (2) the radiation pressure efficiency is approximated using grain sizes based on various means of the actual grain size distribution. It is shown that in critical cases, the effect of grain sizes can be significant. For well-developed winds, however, the effects on the mass-loss rate and the wind speed are small.

  17. Modeling of stresses at grain boundaries with respect to occurrence of stress corrosion cracking

    Energy Technology Data Exchange (ETDEWEB)

    Kozaczek, K.J. [Oak Ridge National Lab., TN (United States); Sinharoy, A.; Ruud, C.O. [Pennsylvania State Univ., University Park, PA (United States); McIlree, A.R. [Electric Power Research Institute, Palo Alto, CA (United States)

    1995-12-31

    The distributions of elastic stresses/strains in the grain boundary regions were studied by the analytical and the finite element models. The grain boundaries represent the sites where stress concentration occurs as a result of discontinuity of elastic properties across the grain boundary and the presence of second phase particles elastically different from the surrounding matrix grains. A quantitative analysis of those stresses for steels and nickel based alloys showed that the stress concentrations in the grain boundary regions are high enough to cause a local microplastic deformation even when the material is in the macroscopic elastic regime. The stress redistribution as a result of such a plastic deformation was discussed.

  18. Effect of continuous change of sintering atmosphere on the grain growth of Cr-doped UO2 pellets

    International Nuclear Information System (INIS)

    Yang, Jae Ho; Nam, Ik Hui; Kim, Jong Hun; Rhee, Young Woo; Kim, Dong Joo; Kim, Keon Sik; Song, Kun Woo

    2010-01-01

    Cr-doped UO 2 pellet is one of the promising candidates for the high burn-up fuel in commercial LWRs. Major nuclear fuel vendors of such as AREVA or Westinghouse initiated the development of Cr-doped or Cr-containing additives doped UO 2 pellets since at the mid of 90's. Now, qualification programs are on-going to provide these pellets commercially. The main characteristics of the Cr-doped pellets are large-grain and visco-plasticity. Large grain pellet can reduce the corrosive fission gas release at high burn up. Viscoplastic soft pellets can lower the pressure to a cladding caused by a thermal expansion of a pellet at an elevated temperature during transient operations. Those advantages can provide room for additional power uprates and high burnup limits. Especially, PCI resistance improvement can be achieved by enlarging the pellet grain size and enhancing the fuel deformation at an elevated temperature. In this paper, to study the effect of oxygen partial pressure on grain growth in Cr-doped UO 2 pellets, Cr- doped UO 2 samples have been sintered with and without a step-wise change of sintering atmospheres. An introduction of a step-wise variation of oxygen partial pressure during the sintering enhances the grain growth of UO 2 pellets greatly. This step-wise sintering effect has been explained in terms of a continuous increase of Cr concentration along the grain boundary. The observed grain growth behavior under step-wisely changed sintering atmospheres demonstrates the possibility of reducing the amount of Cr 2 O 3 to minimum via control of oxygen partial pressure while keeping the large grain size

  19. Constitutive modeling of strain rate effects in nanocrystalline and ultrafine grained polycrystals

    KAUST Repository

    Gurses, Ercan; El Sayed, Tamer S.

    2011-01-01

    We present a variational two-phase constitutive model capable of capturing the enhanced rate sensitivity in nanocrystalline (nc) and ultrafine-grained (ufg) fcc metals. The nc/ufg-material consists of a grain interior phase and a grain boundary affected zone (GBAZ). The behavior of the GBAZ is described by a rate-dependent isotropic porous plasticity model, whereas a rate-independent crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The scale bridging from a single grain to a polycrystal is done by a Taylor-type homogenization. It is shown that the enhanced rate sensitivity caused by the grain size refinement is successfully captured by the proposed model. © 2011 Elsevier Ltd. All rights reserved.

  20. Constitutive modeling of strain rate effects in nanocrystalline and ultrafine grained polycrystals

    KAUST Repository

    Gurses, Ercan

    2011-05-01

    We present a variational two-phase constitutive model capable of capturing the enhanced rate sensitivity in nanocrystalline (nc) and ultrafine-grained (ufg) fcc metals. The nc/ufg-material consists of a grain interior phase and a grain boundary affected zone (GBAZ). The behavior of the GBAZ is described by a rate-dependent isotropic porous plasticity model, whereas a rate-independent crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The scale bridging from a single grain to a polycrystal is done by a Taylor-type homogenization. It is shown that the enhanced rate sensitivity caused by the grain size refinement is successfully captured by the proposed model. © 2011 Elsevier Ltd. All rights reserved.

  1. Micromechanical modelling of nanocrystalline and ultrafine grained metals: A short overview

    DEFF Research Database (Denmark)

    Mishnaevsky, Leon; Levashov, Evgeny

    2015-01-01

    An overview of micromechanical models of strength and deformation behaviour of nanostructured and ultrafine grained metallic materials is presented. Composite models of nanomaterials, polycrystal plasticity based models, grain boundary sliding, the effect of non-equilibrium grain boundaries...... and nanoscale properties are discussed and compared. The examples of incorporation of peculiar nanocrystalline effects (like large content of amorphous or semi-amorphous grain boundary phase, partial dislocation GB emission/glide/GB absorption based deformation mechanism, diffusion deformation, etc.......) into the continuum mechanical approach are given. The possibilities of using micromechanical models to explore the ways of the improving the properties of nanocrystalline materials by modifying their structures (e.g., dispersion strengthening, creating non-equilibrium grain boundaries, varying the grain size...

  2. Effects of feeding blends of grains naturally contaminated with Fusarium mycotoxins on growth and immunological parameters of broiler chickens.

    Science.gov (United States)

    Swamy, H V L N; Smith, T K; Karrow, N A; Boermans, H J

    2004-04-01

    An experiment was conducted to investigate the effects of feeding grains naturally contaminated with Fusarium mycotoxins on growth and immunological parameters of broiler chickens. Three hundred sixty, 1-d-old male broiler chicks were fed 1 of 4 diets containing grains naturally contaminated with Fusarium mycotoxins for 56 d. The diets included (1) control; (2) low level of contaminated grains (5.9 mg/kg deoxynivalenol (DON), 19.1 mg/kg fusaric acid (FA), 0.4 mg/kg zearalenone, and 0.3 mg/kg 15-acetyldeoxynivalenol; (3) high level of contaminated grains (9.5 mg/kg DON, 21.4 mg/kg FA, 0.7 mg/kg zearalenone, and 0.5 mg/kg 15-acetyldeoxynivalenol); and (4) high level of contaminated grains + 0.2% polymeric glucomannan mycotoxin adsorbent (GM polymer). Body weight gains and feed consumption of chickens fed contaminated grains decreased linearly with the inclusion of contaminated grains during the grower phase (d 21 to 42). Efficiency of feed utilization, however, was not affected by diet. Production parameters were not significantly affected by the supplementation of GM polymer to the contaminated grains. Peripheral blood monocytes decreased linearly in birds fed contaminated grains. The feeding of contaminated diets linearly reduced the B-cell count at the end of the experiment, whereas the T-cell count on d 28 responded quadratically to the contaminated diets. The feeding of contaminated diets did not significantly alter serum or bile immunoglobulin concentrations, contact hypersensitivity to dinitrochlorobenzene, or antibody response to SRBC. Supplementation with GM polymer in the contaminated diet nonspecifically increased white blood cell count and lymphocyte count, while preventing mycotoxin-induced decreases in B-cell counts. It was concluded that broiler chickens are susceptible during extended feeding of grains naturally contaminated with Fusarium mycotoxins.

  3. Sequential Path Model for Grain Yield in Soybean

    Directory of Open Access Journals (Sweden)

    Mohammad SEDGHI

    2010-09-01

    Full Text Available This study was performed to determine some physiological traits that affect soybean,s grain yield via sequential path analysis. In a factorial experiment, two cultivars (Harcor and Williams were sown under four levels of nitrogen and two levels of weed management at the research station of Tabriz University, Iran, during 2004 and 2005. Grain yield, some yield components and physiological traits were measured. Correlation coefficient analysis showed that grain yield had significant positive and negative association with measured traits. A sequential path analysis was done in order to evaluate associations among grain yield and related traits by ordering the various variables in first, second and third order paths on the basis of their maximum direct effects and minimal collinearity. Two first-order variables, namely number of pods per plant and pre-flowering net photosynthesis revealed highest direct effect on total grain yield and explained 49, 44 and 47 % of the variation in grain yield based on 2004, 2005, and combined datasets, respectively. Four traits i.e. post-flowering net photosynthesis, plant height, leaf area index and intercepted radiation at the bottom layer of canopy were found to fit as second-order variables. Pre- and post-flowering chlorophyll content, main root length and intercepted radiation at the middle layer of canopy were placed at the third-order path. From the results concluded that, number of pods per plant and pre-flowering net photosynthesis are the best selection criteria in soybean for grain yield.

  4. Ultraviolet interstellar linear polarization. I - Applicability of current dust grain models

    Science.gov (United States)

    Wolff, Michael J.; Clayton, Geoffrey C.; Meade, Marilyn R.

    1993-01-01

    UV spectropolarimetric observations yielding data on the wavelength-dependence of interstellar polarization along eight lines of sight facilitate the evaluation of dust grain models previously used to fit the extinction and polarization in the visible and IR. These models pertain to bare silicate/graphite grains, silicate cores with organic refractory mantles, silicate cores with amorphous carbon mantles, and composite grains. The eight lines-of-sight show three different interstellar polarization dependences.

  5. Coarse-grained modeling of hybrid block copolymer system

    Science.gov (United States)

    Su, Yongrui

    This thesis is comprised of three major projects of my research. In the first project, I proposed a nanoparticle model and combined it with the Theoretically Informed Coarse Grained (TICG) model for pure polymer systems and the grand canonical slip springs model developed in our group to build a new model for entangled nanocomposites. With Molecule Dynamics(MD) simulation, I studied the mechanic properties of the nanocomposites, for example the influence of nanoparticles size and volume fraction on entanglements, the diffusion of polymers and nanoparticles, and the influence of nanoparticles size and volume fraction on viscosity et al.. We found that the addition of small-size nanoparticles reduces the viscosity of the nanocomposites, which is in contrary to what Einstein predicted a century ago. However, when particle increases its size to micrometers the Einstein predictions is recovered. From our simulation, we believe that small-size nanoparticles can more effectively decrease the entanglements of nanocomposites than larger particles. The free volume effect introduced by small-size nanoparticles also helps decrease the viscosity of the whole system. In the second project, I combined the Ohta-Kawasaki (OK) model [3] and the Covariance Matrix Adaptation Evolutionary Strategy(CMA-ES) to optimize the block copolymer blends self-assembly in the hole-shrink process. The aim is to predict the optimal composition and the optimal surface energy to direct the block copolymer blends self-assembly process in the confined hole. After optimization in the OK model, we calibrated the optimal results by the more reliable TICG model and got the same morphology. By comparing different optimization process, we found that the homopolymers which are comprised of the same monomers as either block of the block copolymer can form a perfect perforated hole and might have better performance than the pure block copolymer. While homopolymers which are comprised of a third-party monomers

  6. Growth and sedimentation of dust grains in the primitive solar nebular

    International Nuclear Information System (INIS)

    Battaglia, A.

    1987-01-01

    Formation of the planets in the solar system is envisioned to occur via a gravitational instability in a thin layer of dust located at the midplane of the primitive solar nebula. The break-up of the dust layer gives rise to seed plants (planetesimals) that, through successive collisions, eventually form the present-day planets. This thesis addresses the problem of the formation of the dust layer, beginning with a configuration in which the dust particles are uniformly mixed with the nebula's turbulent gas. To describe the properties of turbulence in the primitive solar nebula, models by Canuto et al. (1987) and by Cabot et al. (1987) are used. The available results concerning calculation of the velocity of particles embedded in a turbulent fluid were found to be unsatisfactory; therefore, a new formalism was developed to express the latter quantity in terms of the properties of the turbulence in the fluid. Following the space-time evolution of the grains, formalism was developed that simulates the simultaneous processes of collisions and sedimentation of the dust grains in the primitive solar nebula. It is concluded that, for the model of the primitive solar nebula considered, the formation of a dust layer at midplane is very unlikely

  7. Grain growth competition during thin-sample directional solidification of dendritic microstructures: A phase-field study

    International Nuclear Information System (INIS)

    Tourret, D.; Song, Y.; Clarke, A.J.; Karma, A.

    2017-01-01

    We present the results of a comprehensive phase-field study of columnar grain growth competition in bi-crystalline samples in two dimensions (2D) and in three dimensions (3D) for small sample thicknesses allowing a single row of dendrites to form. We focus on the selection of grain boundary (GB) orientation during directional solidification in the steady-state dendritic regime, and study its dependence upon the orientation of two competing grains. In 2D, we map the entire orientation range for both grains, performing several simulations for each configuration to account for the stochasticity of GB orientation selection and to assess the average GB behavior. We find that GB orientation selection depends strongly on whether the primary dendrite growth directions have lateral components (i.e. components perpendicular to the axis of the temperature gradient) that point in the same or opposite directions in the two grains. We identify a range of grain orientations in which grain selection follows the classical description of Walton and Chalmers. We also identify conditions that favor unusual overgrowth of favorably-oriented dendrites at a converging GB. We propose a simple analytical description that reproduces the average GB orientation selection from 2D simulations within statistical fluctuations of a few degrees. In 3D, we find a similar GB orientation selection as in 2D when secondary branches grow in planes parallel and perpendicular to the sample walls. Remarkably, quasi-2D behavior is also observed even when those perpendicular sidebranching planes are rotated by a finite azimuthal angle about the primary dendrite growth axis as long as the absolute values of those azimuthal angles are equal in both grains. In contrast, when the absolute values of those azimuthal angles differ markedly, we find that unusual overgrowth events at a converging GB are promoted by a high azimuthal angle in the least-favorably-oriented grain. We also find that diverging GBs can be

  8. Grain-Boundary Resistance in Copper Interconnects: From an Atomistic Model to a Neural Network

    Science.gov (United States)

    Valencia, Daniel; Wilson, Evan; Jiang, Zhengping; Valencia-Zapata, Gustavo A.; Wang, Kuang-Chung; Klimeck, Gerhard; Povolotskyi, Michael

    2018-04-01

    Orientation effects on the specific resistance of copper grain boundaries are studied systematically with two different atomistic tight-binding methods. A methodology is developed to model the specific resistance of grain boundaries in the ballistic limit using the embedded atom model, tight- binding methods, and nonequilibrium Green's functions. The methodology is validated against first-principles calculations for thin films with a single coincident grain boundary, with 6.4% deviation in the specific resistance. A statistical ensemble of 600 large, random structures with grains is studied. For structures with three grains, it is found that the distribution of specific resistances is close to normal. Finally, a compact model for grain-boundary-specific resistance is constructed based on a neural network.

  9. A madurella mycetomatis grain model in galleria mellonella larvae

    NARCIS (Netherlands)

    W. Kloezen (Wendy); M. van Helvert-van Poppel (Marilyn); A.H. Fahal (Ahmed); W.W.J. van de Sande (Wendy)

    2015-01-01

    textabstractEumycetoma is a chronic granulomatous subcutaneous infectious disease, endemic in tropical and subtropical regions and most commonly caused by the fungus Madurella mycetomatis. Interestingly, although grain formation is key in mycetoma, its formation process and its susceptibility

  10. Modeling of grain boundary stresses in Alloy 600

    Energy Technology Data Exchange (ETDEWEB)

    Kozaczek, K.J. [Oak Ridge National Lab., TN (United States); Sinharoy, A.; Ruud, C.O. [Pennsylvania State Univ., University Park, PA (United States); Mcllree, A.R. [Electric Power Research Inst., Palo Alto, CA (United States)

    1995-04-01

    Corrosive environments combined with high stress levels and susceptible microstructures can cause intergranular stress corrosion cracking (IGSCC) of Alloy 600 components on both primary and secondary sides of pressurized water reactors. One factor affecting the IGSCC is intergranular carbide precipitation controlled by heat treatment of Alloy 600. This study is concerned with analysis of elastic stress fields in vicinity of M{sub 7}C{sub 3} and M{sub 23}C{sub 6} carbides precipitated in the matrix and at a grain boundary triple point. The local stress concentration which can lead to IGSCC initiation was studied using a two-dimensional finite element model. The intergranular precipitates are more effective stress raisers than the intragranular precipitates. The combination of the elastic property mismatch and the precipitate shape can result in a local stress field substantially different than the macroscopic stress. The maximum local stresses in the vicinity of the intergranular precipitate were almost twice as high as the applied stress.

  11. A review on the factors affecting mite growth in stored grain commodities.

    Science.gov (United States)

    Collins, D A

    2012-03-01

    A thorough review of the literature has identified the key factors and interactions that affect the growth of mite pests on stored grain commodities. Although many factors influence mite growth, the change and combinations of the physical conditions (temperature, relative humidity and/or moisture content) during the storage period are likely to have the greatest impact, with biological factors (e.g. predators and commodity) playing an important role. There is limited information on the effects of climate change, light, species interactions, local density dependant factors, spread of mycotoxins and action thresholds for mites. A greater understanding of these factors may identify alternative control techniques. The ability to predict mite population dynamics over a range of environmental conditions, both physical and biological, is essential in providing an early warning of mite infestations, advising when appropriate control measures are required and for evaluating control measures. This information may provide a useful aid in predicting and preventing mite population development as part of a risk based decision support system.

  12. Growth, Structure and Firm Dynamics in Grain Markets: The Case of ...

    African Journals Online (AJOL)

    Optiplex 7010 Pro

    In this paper we consider the microeconomic evidence on the determinants of firm performance in Ethiopia, with a focus on grain traders. We analyse both internal and external factors, and the relative impacts of these factors on the performance of grain traders. Different economic indicators seem to suggest that grain ...

  13. Recrystallization and grain growth behavior of rolled tungsten under VDE-like short pulse high heat flux loads

    International Nuclear Information System (INIS)

    Yuan, Y.; Greuner, H.; Böswirth, B.; Krieger, K.; Luo, G.-N.; Xu, H.Y.; Fu, B.Q.; Li, M.; Liu, W.

    2013-01-01

    Highlights: ► Recrystallization temperature of a rolled W was ∼2480 °C under applied HHF loads. ► Fine grains were obtained under HHF loads with appropriate short pulse length. ► With increasing pulse length, the recrystallized grains significantly grew larger. ► A linear relationship between ln d and 1/T max was found. ► Activation energy for grain growth in T evolution up to T max in 1.5 s was obtained. -- Abstract: Short pulse heat loads expected for vertical displacement events (VDEs) in ITER were applied in the high heat flux (HHF) test facility GLADIS at IPP-Garching onto samples of rolled W. Pulsed neutral beams with the central heat flux of 23 MW/m 2 were applied for 0.5, 1.0 and 1.5 s, respectively. Rapid recrystallization of the adiabatically loaded 3 mm thick samples was observed when the pulse duration was up to 1.0 s. Grains grew markedly following recrystallization with increasing pulse length. The recrystallization temperature and temperature dependence of the recrystallized grain size were also investigated. The results showed that the recrystallization temperature of the W grade was around 2480 °C under the applied heat loading condition, which was nearly 1150 °C higher than the conventional recrystallization temperature, and the grains were much finer. A linear relationship between the logarithm of average grain size (ln d) and the inverse of maximum surface temperature (1/T max ) was found and accordingly the activation energy for grain growth in temperature evolution up to T max in 1.5 s of the short pulse HHF load was deduced to be 4.1 eV. This provided an effective clue to predict the structure evolution under short pulse HHF loads

  14. Effect of second phase particles topology on the onset temperature of abnormal grain growth in Fe - 3%Si steels

    Directory of Open Access Journals (Sweden)

    Stoyka, V.

    2008-01-01

    Full Text Available The relations between regimes of dynamic annealing, state of secondary particles system and the onset temperature of abnormal grain growth are investigated. Two distinguish types of Fe-3%Si grain-oriented steels, after one and two stage cold rolling, were studied. The second phase particles remain unaffected in first type of steel during the heat treatment. Vice versa, the increased density of second phases was observed after annealing in the second type of the investigated materials. It is shown that start/onset of abnormal grain growth strongly depends on both volume fraction of second phase particles and annealing temperature. Texture and magnetic properties of the investigated samples are investigated within the current study.

  15. A single grain approach applied to modelling recrystallization kinetics in a single-phase metal

    NARCIS (Netherlands)

    Chen, S.P.; Zwaag, van der S.

    2004-01-01

    A comprehensive model for the recrystallization kinetics is proposed which incorporates both microstructure and the textural components in the deformed state. The model is based on the single-grain approach proposed previously. The influence of the as-deformed grain orientation, which affects the

  16. Model uncertainty in growth empirics

    NARCIS (Netherlands)

    Prüfer, P.

    2008-01-01

    This thesis applies so-called Bayesian model averaging (BMA) to three different economic questions substantially exposed to model uncertainty. Chapter 2 addresses a major issue of modern development economics: the analysis of the determinants of pro-poor growth (PPG), which seeks to combine high

  17. A Model of Controlled Growth

    Science.gov (United States)

    Bressan, Alberto; Lewicka, Marta

    2018-03-01

    We consider a free boundary problem for a system of PDEs, modeling the growth of a biological tissue. A morphogen, controlling volume growth, is produced by specific cells and then diffused and absorbed throughout the domain. The geometric shape of the growing tissue is determined by the instantaneous minimization of an elastic deformation energy, subject to a constraint on the volumetric growth. For an initial domain with C}^{2,α boundary, our main result establishes the local existence and uniqueness of a classical solution, up to a rigid motion.

  18. 3D microstructural evolution of primary recrystallization and grain growth in cold rolled single-phase aluminum alloys

    Science.gov (United States)

    Adam, Khaled; Zöllner, Dana; Field, David P.

    2018-04-01

    Modeling the microstructural evolution during recrystallization is a powerful tool for the profound understanding of alloy behavior and for use in optimizing engineering properties through annealing. In particular, the mechanical properties of metallic alloys are highly dependent upon evolved microstructure and texture from the softening process. In the present work, a Monte Carlo (MC) Potts model was used to model the primary recrystallization and grain growth in cold rolled single-phase Al alloy. The microstructural representation of two kinds of dislocation densities, statistically stored dislocations and geometrically necessary dislocations were quantified based on the ViscoPlastic Fast Fourier transform method. This representation was then introduced into the MC Potts model to identify the favorable sites for nucleation where orientation gradients and entanglements of dislocations are high. Additionally, in situ observations of non-isothermal microstructure evolution for single-phase aluminum alloy 1100 were made to validate the simulation. The influence of the texture inhomogeneity is analyzed from a theoretical point of view using an orientation distribution function for deformed and evolved texture.

  19. Influence of grain structure on the deformation mechanism in martensitic shear reversion-induced Fe-16Cr-10Ni model austenitic alloy with low interstitial content: Coarse-grained versus nano-grained/ultrafine-grained structure

    Energy Technology Data Exchange (ETDEWEB)

    Challa, V.S.A. [Laboratory for Excellence in Advanced Steel Research, Department of Metallurgical, Materials Engineering, and Biomedical Engineering, University of Texas at El Paso, El Paso, TX 79968 (United States); Misra, R.D.K., E-mail: dmisra2@utep.edu [Laboratory for Excellence in Advanced Steel Research, Department of Metallurgical, Materials Engineering, and Biomedical Engineering, University of Texas at El Paso, El Paso, TX 79968 (United States); Somani, M.C. [Center for Advanced Steels Research, The University of Oulu, P.O. Box 4200, 90014 Oulu (Finland); Wang, Z.D. [State Key Laboratory for Rolling and Automation, Northeastern University, 3-11 Wenhua Road, Shenyang 110819 (China)

    2016-04-20

    Nanograined/ultrafine-grained (NG/UFG) materials characterized by high strength-high ductility combination are excellent vehicles to obtain an unambiguous understanding of deformation mechanisms vis-à-vis their coarse-grained counterparts. In this context, the innovative concept of phase reversion-induced NG/UFG structure enabled achieving high strength besides comparable ductility, for instance, in metastable austenitic stainless steels. In the phase reversion process, severe deformation of austenite at room temperature (typically ~60–80%) transforms face-centered cubic austenite (γ) to body centered cubic martensite (α′). Upon annealing, martensite reverts to austenite leading to extensive grain refinement. The objective of the present study to fundamentally understand the deformation mechanisms in NG/UFG structure in relation to that of the coarse-grained (CG) structure was accomplished by combining depth-sensing nanoscale experiments on an Fe-16Cr-10Ni model austenitic alloy conducted at different strain rates, followed by the study of structural evolution in the deformed zone using transmission electron microscopy (TEM). In the high strength NG/UFG steel (YS~585 MPa), stacking faults and nanotwins contributed to the enhanced ductility (El~35%), while in the case of low strength (YS~260 MPa) coarse-grained (CG) counterpart, ductility was also high (El~40%), but chiefly due to strain-induced martensite, which points to a clear case of grain size effect (and the corresponding level of strength). The distinct change in the deformation mechanism from stacking faults and twinning-induced plasticity (TWIP) in the NG structure to transformation-induced plasticity (TRIP) in the CG structure is elucidated in terms of austenite stability-strain energy relationship. The insights on the relationship between grain structure (and strength) and deformation mechanisms are envisaged to be important in providing a new direction for the futuristic design of high strength

  20. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  1. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  2. Grain Nucleation and Growth in Deformed NiTi Shape Memory Alloys: An In Situ TEM Study

    Science.gov (United States)

    Burow, J.; Frenzel, J.; Somsen, C.; Prokofiev, E.; Valiev, R.; Eggeler, G.

    2017-12-01

    The present study investigates the evolution of nanocrystalline (NC) and ultrafine-grained (UFG) microstructures in plastically deformed NiTi. Two deformed NiTi alloys were subjected to in situ annealing in a transmission electron microscope (TEM) at 400 and 550 °C: an amorphous material state produced by high-pressure torsion (HPT) and a mostly martensitic partly amorphous alloy produced by wire drawing. In situ annealing experiments were performed to characterize the microstructural evolution from the initial nonequilibrium states toward energetically more favorable microstructures. In general, the formation and evolution of nanocrystalline microstructures are governed by the nucleation of new grains and their subsequent growth. Austenite nuclei which form in HPT and wire-drawn microstructures have sizes close to 10 nm. Grain coarsening occurs in a sporadic, nonuniform manner and depends on the physical and chemical features of the local environment. The mobility of grain boundaries in NiTi is governed by the local interaction of each grain with its microstructural environment. Nanograin growth in thin TEM foils seems to follow similar kinetic laws to those in bulk microstructures. The present study demonstrates the strength of in situ TEM analysis and also highlights aspects which need to be considered when interpreting the results.

  3. Factors affecting the grain growth of austenite in low alloy steel

    International Nuclear Information System (INIS)

    Parker, J.D.; Storer, S.M.

    1995-01-01

    The performance of steels is linked to the metallurgical transformations which occur during manufacture. Clearly then the optimization of a fabrication procedure must be based on fundamental relationships linking specific thermal treatments with transformation behaviour. Optimized manufacture of thick-section, multipass welds is therefore particularly complex since the thermal cycles associated with fusion welding result in the formation of heterogeneous microstructures. Moreover, these transformations will take place under rapid heating and cooling conditions so that standard data based on equilibrium behaviour may not be directly relevant. The present study is part of an integrated research programme aimed at establishing the basic microstructural relationships required to optimize the manufacture and performance of weldments. Work to date demonstrates that utilization of a computer controlled Gleeble simulation system allows a wider range of heating and cooling rates to be applied than is possible with traditional heat treatment techniques. Additional advantages of this system include precise control of time at peak temperature and uniform temperatures within a defined work zone. Results presented for a CrMoV creep resistant low alloy steel indicate that grain growth behaviour in the range 955-1390 C can be related to the time at peak temperature. The effect of this transformation behaviour on weldment behaviour is discussed. (orig.)

  4. Grain growth behavior and high-temperature high-strain-rate tensile ductility of iridium alloy DOP-26

    International Nuclear Information System (INIS)

    McKamey, C.G.; Gubbi, A.N.; Lin, Y.; Cohron, J.W.; Lee, E.H.; George, E.P.

    1998-04-01

    This report summarizes results of studies conducted to date under the Iridium Alloy Characterization and Development subtask of the Radioisotope Power System Materials Production and Technology Program to characterize the properties of the new-process iridium-based DOP-26 alloy used for the Cassini space mission. This alloy was developed at Oak Ridge National Laboratory (ORNL) in the early 1980's and is currently used by NASA for cladding and post-impact containment of the radioactive fuel in radioisotope thermoelectric generator (RTG) heat sources which provide electric power for interplanetary spacecraft. Included within this report are data generated on grain growth in vacuum or low-pressure oxygen environments; a comparison of grain growth in vacuum of the clad vent set cup material with sheet material; effect of grain size, test temperature, and oxygen exposure on high-temperature high-strain-rate tensile ductility; and grain growth in vacuum and high-temperature high-strain-rate tensile ductility of welded DOP-26. The data for the new-process material is compared to available old-process data

  5. The free growth criterion for grain initiation in TiB 2 inoculated γ-titanium aluminide based alloys

    Science.gov (United States)

    Gosslar, D.; Günther, R.

    2014-02-01

    γ-titanium aluminide (γ-TiAl) based alloys enable for the design of light-weight and high-temperature resistant engine components. This work centers on a numerical study of the condition for grain initiation during solidification of TiB2 inoculated γ-TiAl based alloys. Grain initiation is treated according to the so-called free growth criterion. This means that the free growth barrier for grain initiation is determined by the maximum interfacial mean curvature between a nucleus and the melt. The strategy presented in this paper relies on iteratively increasing the volume of a nucleus, which partially wets a hexagonal TiB2 crystal, minimizing the interfacial energy and calculating the corresponding interfacial curvature. The hereby obtained maximum curvature yields a scaling relation between the size of TiB2 crystals and the free growth barrier. Comparison to a prototypical TiB2 crystal in an as cast γ-TiAl based alloy allowed then to predict the free growth barrier prevailing under experimental conditions. The validity of the free growth criterion is discussed by an interfacial energy criterion.

  6. ACCURATE MODELING OF X-RAY EXTINCTION BY INTERSTELLAR GRAINS

    International Nuclear Information System (INIS)

    Hoffman, John; Draine, B. T.

    2016-01-01

    Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. We present an open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition

  7. ACCURATE MODELING OF X-RAY EXTINCTION BY INTERSTELLAR GRAINS

    Energy Technology Data Exchange (ETDEWEB)

    Hoffman, John; Draine, B. T., E-mail: jah5@astro.princeton.edu, E-mail: draine@astro.princeton.edu [Princeton University Observatory, Peyton Hall, Princeton, NJ 08544-1001 (United States)

    2016-02-01

    Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. We present an open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition.

  8. Facilitating Fine Grained Data Provenance using Temporal Data Model

    NARCIS (Netherlands)

    Huq, M.R.; Wombacher, Andreas; Apers, Peter M.G.

    2010-01-01

    E-science applications use fine grained data provenance to maintain the reproducibility of scientific results, i.e., for each processed data tuple, the source data used to process the tuple as well as the used approach is documented. Since most of the e-science applications perform on-line

  9. Analysis of recrystallization and grain growth in ultra low carbon steels using EBSD

    International Nuclear Information System (INIS)

    Novillo, E.; Petite, M. M.; Bocos, J. L.; Gutierrez, I.

    2004-01-01

    This work is focused on the study of recrystallization texture and micro texture in a cold rolled ultra low carbon steel and its relationship with the global texture. Aspects like nucleation, evolution of the volume fraction and grain size were considered. An important grain selection associated with a significant size and number advantages of the recrystallized grains is observed. This grain selection gives rise to the development, at the latest stages of recrystallization, of a strong γ-fibre associated to good drawing properties. (Author) 24 refs

  10. Laboratory-based grain-shape models for simulating dust infrared spectra

    NARCIS (Netherlands)

    Mutschke, H.; Min, M.; Tamanai, A.

    2009-01-01

    Context. Analysis of thermal dust emission spectra for dust mineralogy and physical grain properties depends on comparison spectra, which are either laboratory-measured infrared extinction spectra or calculated extinction cross sections based on certain grain models. Often, the agreement between

  11. A creep rupture model accounting for cavitation at sliding grain boundaries

    NARCIS (Netherlands)

    Giessen, Erik van der; Tvergaard, Viggo

    1991-01-01

    An axisymmetric cell model analysis is used to study creep failure by grain boundary cavitation at facets normal to the maximum principal tensile stress, taking into account the influence of cavitation and sliding at adjacent inclined grain boundaries. It is found that the interaction between the

  12. Effect of Plant Essential Oils and Gamma Irradiation on Growth and Aflatoxin Production by Aspergillus Flavus Isolated from Wheat Grains

    International Nuclear Information System (INIS)

    Salem, E.A.; Shalaby, Kh.

    2016-01-01

    The antifungal potential of essential oils of Thyme (Thymus vulgaris L.) and camphor ( Eucalyptus rostrata L.) was determined on Aspergillus flavus link isolated from wheat grains on Potato dextrose agar (PDA). They inhibited completely mycelia growth of the fungus at 1000 and 2000 ppm, and prevented aflatoxin production at sub lethal dose 500 and 1000 ppm respectively. Gamma radiation was used to control mycelia growth of Aspergillus flavus Link and inhibiting aflatoxin production. A dose level of 3.5 KGy gamma radiation prevented the fungal growth and aflatoxin production by A. flavus link, where a dose of 2.5 K Gy ( the sub lethal dose) prevented about 85% of aflatoxin production

  13. Effect of zirconium on grain growth and mechanical properties of a ball-milled nanocrystalline FeNi alloy

    Energy Technology Data Exchange (ETDEWEB)

    Kotan, Hasan, E-mail: hkotan@ncsu.edu [Department of Materials Science and Engineering, NC State University, 911 Partners Way, Room 3078, Raleigh, NC 27606-7907 (United States); Darling, Kris A. [U.S. Army Research Laboratory, Weapons and Materials Research Directorate, RDRL-WMM-F, Aberdeen Proving Ground, MD 21005-5069 (United States); Saber, Mostafa; Koch, Carl C.; Scattergood, Ronald O. [Department of Materials Science and Engineering, NC State University, 911 Partners Way, Room 3078, Raleigh, NC 27606-7907 (United States)

    2013-02-25

    Highlights: Black-Right-Pointing-Pointer Pure Fe, Fe{sub 92}Ni{sub 8}, and Fe{sub 91}Ni{sub 8}Zr{sub 1} powders were hardened up to 10 GPa by ball milling. Black-Right-Pointing-Pointer Annealing of Fe and Fe{sub 92}Ni{sub 8} leads to reduced hardness and extensive grain growth. Black-Right-Pointing-Pointer The addition of Zr to Fe{sub 92}Ni{sub 8} increases its stability and strength by second phases. Black-Right-Pointing-Pointer The second phases are found to promote the stability of Fe{sub 91}Ni{sub 8}Zr{sub 1} by Zener pinning. Black-Right-Pointing-Pointer The Zr-containing precipitates contribute to the overall strength of the material. - Abstract: Grain growth of ball-milled pure Fe, Fe{sub 92}Ni{sub 8}, and Fe{sub 91}Ni{sub 8}Zr{sub 1} alloys has been studied using X-ray diffractometry (XRD), focused ion beam (FIB) microscopy and transmission electron microscopy (TEM). Mechanical properties with respect to compositional changes and annealing temperatures have been investigated using microhardness and shear punch tests. We found the rate of grain growth of the Fe{sub 91}Ni{sub 8}Zr{sub 1} alloy to be much less than that of pure Fe and the Fe{sub 92}Ni{sub 8} alloy at elevated temperatures. The microstructure of the ternary Fe{sub 91}Ni{sub 8}Zr{sub 1} alloy remains nanoscale up to 700 Degree-Sign C where only a few grains grow abnormally whereas annealing of pure iron and the Fe{sub 92}Ni{sub 8} alloy leads to extensive grain growth. The grain growth of the ternary alloy at high annealing temperatures is coupled with precipitation of Fe{sub 2}Zr. A fine dispersion of precipitated second phase is found to promote the microstructural stability at high annealing temperatures and to increase the hardness and ultimate shear strength of ternary Fe{sub 91}Ni{sub 8}Zr{sub 1} alloy drastically when the grain size is above nanoscale.

  14. Mudcake growth: Model and implications

    KAUST Repository

    Liu, Q.; Santamarina, Carlos

    2017-01-01

    cementing, and to prevent partial differential sticking. We developed a robust mud cake growth model for water-based mud based on wide stress-range constitutive equations within a Lagrangian reference system to avoid non-natural moving boundary solutions

  15. Graphene growth process modeling: a physical-statistical approach

    Science.gov (United States)

    Wu, Jian; Huang, Qiang

    2014-09-01

    As a zero-band semiconductor, graphene is an attractive material for a wide variety of applications such as optoelectronics. Among various techniques developed for graphene synthesis, chemical vapor deposition on copper foils shows high potential for producing few-layer and large-area graphene. Since fabrication of high-quality graphene sheets requires the understanding of growth mechanisms, and methods of characterization and control of grain size of graphene flakes, analytical modeling of graphene growth process is therefore essential for controlled fabrication. The graphene growth process starts with randomly nucleated islands that gradually develop into complex shapes, grow in size, and eventually connect together to cover the copper foil. To model this complex process, we develop a physical-statistical approach under the assumption of self-similarity during graphene growth. The growth kinetics is uncovered by separating island shapes from area growth rate. We propose to characterize the area growth velocity using a confined exponential model, which not only has clear physical explanation, but also fits the real data well. For the shape modeling, we develop a parametric shape model which can be well explained by the angular-dependent growth rate. This work can provide useful information for the control and optimization of graphene growth process on Cu foil.

  16. Yield and grain quality of spring barley as affected by biomass formation at early growth stages

    Czech Academy of Sciences Publication Activity Database

    Křen, J.; Klem, Karel; Svobodová, I.; Míša, P.; Neudert, L.

    2014-01-01

    Roč. 60, č. 5 (2014), s. 221-227 ISSN 1214-1178 R&D Projects: GA MZe QI111A133 Keywords : Hordeum vulgare L * above-ground biomass * tillering * grain yield formation * grain protein content Subject RIV: EH - Ecology, Behaviour Impact factor: 1.226, year: 2014

  17. Parametrizing coarse grained models for molecular systems at equilibrium

    KAUST Repository

    Kalligiannaki, Evangelia; Chazirakis, A.; Tsourtis, A.; Katsoulakis, M. A.; Plechá č, P.; Harmandaris, V.

    2016-01-01

    Hierarchical coarse graining of atomistic molecular systems at equilibrium has been an intensive research topic over the last few decades. In this work we (a) review theoretical and numerical aspects of different parametrization methods (structural-based, force matching and relative entropy) to derive the effective interaction potential between coarse-grained particles. All methods approximate the many body potential of mean force; resulting, however, in different optimization problems. (b) We also use a reformulation of the force matching method by introducing a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (E. Kalligiannaki, et al., J. Chem. Phys. 2015). We apply and compare these methods to: (a) a benchmark system of two isolated methane molecules; (b) methane liquid; (c) water; and (d) an alkane fluid. Differences between the effective interactions, derived from the various methods, are found that depend on the actual system under study. The results further reveal the relation of the various methods and the sensitivities that may arise in the implementation of numerical methods used in each case.

  18. Parametrizing coarse grained models for molecular systems at equilibrium

    KAUST Repository

    Kalligiannaki, Evangelia

    2016-10-18

    Hierarchical coarse graining of atomistic molecular systems at equilibrium has been an intensive research topic over the last few decades. In this work we (a) review theoretical and numerical aspects of different parametrization methods (structural-based, force matching and relative entropy) to derive the effective interaction potential between coarse-grained particles. All methods approximate the many body potential of mean force; resulting, however, in different optimization problems. (b) We also use a reformulation of the force matching method by introducing a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (E. Kalligiannaki, et al., J. Chem. Phys. 2015). We apply and compare these methods to: (a) a benchmark system of two isolated methane molecules; (b) methane liquid; (c) water; and (d) an alkane fluid. Differences between the effective interactions, derived from the various methods, are found that depend on the actual system under study. The results further reveal the relation of the various methods and the sensitivities that may arise in the implementation of numerical methods used in each case.

  19. Replacement of mineral fertilizers with anaerobically digested pig slurry in paddy fields: assessment of plant growth and grain quality.

    Science.gov (United States)

    Zhang, Jin; Wang, Minyan; Cao, Yucheng; Liang, Peng; Wu, Shengchun; Leung, Anna Oi Wah; Christie, Peter

    2017-04-01

    Rice cultivation requires large quantities of irrigation water and mineral fertilizers. This provides an opportunity for the recycling of the plant nutrients in anaerobically digested pig slurry, large amounts of which are generated in Chinese pig farms. Hence, to promote the sustainable development of livestock and poultry breeding and rice production, a micro-plot field experiment was carried out to assess whether or not slurry can replace mineral fertilizers in rice paddy production in terms of plant tillering, grain quality, and yields. The results indicate that the total N content of the slurry can serve as an alternative source of N when compared to the control (450 kg ha -1 commercial compound fertilizer (N/P 2 O 5 /K 2 O = 15:15:15) as basal fertilizer, 300 kg ha -1 urea (N% = 46), and 150 kg ha -1 commercial compound fertilizer as top-dressed fertilizer). No negative effects on plant growth or grain yield were observed, although there may be a potential risk due to an increase in grain Cu concentration. The amylose content and gel consistency of the rice grains were enhanced significantly by the use of slurry as a basal fertilizer, but the grain protein and total amino acid contents decreased. The results suggest that anaerobically digested pig slurry can replace mineral fertilizers in rice production when applied as a basal dressing together with urea and commercial compound fertilizer as top-dressed fertilizers.

  20. Recrystallization and grain growth behavior of rolled tungsten under VDE-like short pulse high heat flux loads

    Science.gov (United States)

    Yuan, Y.; Greuner, H.; Böswirth, B.; Krieger, K.; Luo, G.-N.; Xu, H. Y.; Fu, B. Q.; Li, M.; Liu, W.

    2013-02-01

    Short pulse heat loads expected for vertical displacement events (VDEs) in ITER were applied in the high heat flux (HHF) test facility GLADIS at IPP-Garching onto samples of rolled W. Pulsed neutral beams with the central heat flux of 23 MW/m2 were applied for 0.5, 1.0 and 1.5 s, respectively. Rapid recrystallization of the adiabatically loaded 3 mm thick samples was observed when the pulse duration was up to 1.0 s. Grains grew markedly following recrystallization with increasing pulse length. The recrystallization temperature and temperature dependence of the recrystallized grain size were also investigated. The results showed that the recrystallization temperature of the W grade was around 2480 °C under the applied heat loading condition, which was nearly 1150 °C higher than the conventional recrystallization temperature, and the grains were much finer. A linear relationship between the logarithm of average grain size (ln d) and the inverse of maximum surface temperature (1/Tmax) was found and accordingly the activation energy for grain growth in temperature evolution up to Tmax in 1.5 s of the short pulse HHF load was deduced to be 4.1 eV. This provided an effective clue to predict the structure evolution under short pulse HHF loads.

  1. Texturing of sodium bismuth titanate-barium titanate ceramics by templated grain growth

    Science.gov (United States)

    Yilmaz, Huseyin

    2002-01-01

    Sodium bismuth titanate modified with barium titanate, (Na1/2Bi 1/2)TiO3-BaTiO3 (NBT-BT), is a candidate lead-free piezoelectric material which has been shown to have comparatively high piezoelectric response. In this work, textured (Na1/2Bi1/2)TiO 3-BaTiO3 (5.5mol% BaTiO3) ceramics with pc (where pc denotes the pseudocubic perovskite cell) orientation were fabricated by Templated Grain Growth (TGG) or Reactive Templated Grain Growth (RTGG) using anisotropically shaped template particles. In the case of TGG, molten salt synthesized SrTiO3 platelets were tape cast with a (Na1/2Bi1/2)TiO3-5.5mol%BaTiO3 powder and sintered at 1200°C for up to 12 hours. For the RTGG approach, Bi4Ti3O12 (BiT) platelets were tape cast with a Na2CO3, Bi2O3, TiO 2, and BaCO3 powder mixture and reactively sintered. The TGG approach using SrTiO3 templates gave stronger texture along [001] compared to the RTGG approach using BiT templates. The textured ceramics were characterized by X-ray and electron backscatter diffraction for the quality of texture. The texture function was quantified by the Lotgering factor, rocking curve, pole figures, inverse pole figures, and orientation imaging microscopy. Electrical and electromechanical property characterization of randomly oriented and pc textured (Na1/2Bi1/2)TiO 3-5.5 mol% BaTiO3 rhombohedral ceramics showed 0.26% strain at 70 kV/cm, d33 coefficients over 500 pC/N have been obtained for highly textured samples (f ˜ 90%). The piezoelectric coefficient from Berlincourt was d33 ˜ 200 pC/N. The materials show considerable hysteresis. The presence of hysteresis in the unipolar-electric field curve is probably linked to the ferroelastic phase transition seen in the (Na 1/2Bi1/2)TiO3 system on cooling from high temperature at ˜520°C. The macroscopic physical properties (remanent polarization, dielectric constant, and piezoelectric coefficient) of random and textured ([001] pc) rhombohedral perovskites were estimated by linear averaging of single

  2. Modeling moisture absorption kinetics of barley grain using viscoelastic model and neural networks

    Directory of Open Access Journals (Sweden)

    M Kamali

    2015-09-01

    Full Text Available Introduction: Barley is one of the most important grains with high digestible starch making it a main source of energy in human nutrition as well as in livestock rations formulation and feeding. Starch is the main part of barley grain and it has an inverse relation with its protein. It has a digestible foodstuff of 80 to 84 percent of its dry matter content. Barley as livestock foodstuff should be processed and it is done in several ways. A customary method for processing barley in dairy farms is its size reduction by milling (Hunt, 1996. An alternative method of barley processing is steam rolling. However, because of the high cost of steam generators a method of soaking with heating has been considered as an alternative method for steam rolling (Yang et al., 2000. The rate of moisture absorption by grains during the soaking process varies considerably and depends on the size of the grain, water temperature and the length of soaking. High temperature water soaking is an ordinary way to reduce the time duration for reaching a high rate of moisture absorption during the soaking process (Kashaninejad et al., 2009. Various studies have shown that these models have adequate accuracy in analyzing drying and moisture absorption processes for most agricultural products (Abu-Ghannam and McKenna, 1997. Some researchers have modeled beans moisture absorption behavior using 14 mathematical models and found that the Weibull model had the most conformity with variations in experimental data (Shafaei and Masoumi, 2014c. Observations made by researchers indicate that the moisture absorption process in various materials encompasses a primary phase with a fast rate and a second phase with a lower rate. The second phase in moisture absorption is called the relaxation phase. The main problem with all the mathematical and experimental models is the lack of the model’s ability to evaluate the rate of moisture absorption in the secondary phase. Artificial Neural

  3. Calibration and validation of coarse-grained models of atomic systems: application to semiconductor manufacturing

    Science.gov (United States)

    Farrell, Kathryn; Oden, J. Tinsley

    2014-07-01

    Coarse-grained models of atomic systems, created by aggregating groups of atoms into molecules to reduce the number of degrees of freedom, have been used for decades in important scientific and technological applications. In recent years, interest in developing a more rigorous theory for coarse graining and in assessing the predictivity of coarse-grained models has arisen. In this work, Bayesian methods for the calibration and validation of coarse-grained models of atomistic systems in thermodynamic equilibrium are developed. For specificity, only configurational models of systems in canonical ensembles are considered. Among major challenges in validating coarse-grained models are (1) the development of validation processes that lead to information essential in establishing confidence in the model's ability predict key quantities of interest and (2), above all, the determination of the coarse-grained model itself; that is, the characterization of the molecular architecture, the choice of interaction potentials and thus parameters, which best fit available data. The all-atom model is treated as the "ground truth," and it provides the basis with respect to which properties of the coarse-grained model are compared. This base all-atom model is characterized by an appropriate statistical mechanics framework in this work by canonical ensembles involving only configurational energies. The all-atom model thus supplies data for Bayesian calibration and validation methods for the molecular model. To address the first challenge, we develop priors based on the maximum entropy principle and likelihood functions based on Gaussian approximations of the uncertainties in the parameter-to-observation error. To address challenge (2), we introduce the notion of model plausibilities as a means for model selection. This methodology provides a powerful approach toward constructing coarse-grained models which are most plausible for given all-atom data. We demonstrate the theory and

  4. Study of rapid grain boundary migration in a nanocrystalline Ni thin film

    International Nuclear Information System (INIS)

    Kacher, Josh; Robertson, I.M.; Nowell, Matt; Knapp, J.; Hattar, Khalid

    2011-01-01

    Research highlights: → Abnormal growth is distributed randomly in the foil and initiates at different times. → Growth occurs from seemingly uncorrelated regions of the grain boundary. → Growth twins are created during all stages of abnormal grain growth. → Grain growth patterns are qualitatively similar to a vacancy diffusion model. → Grain boundaries and orientations evolve during growth to minimize system energy. - Abstract: Grain boundary migration associated with abnormal grain growth in pulsed-laser deposited Ni was studied in real time by annealing electron transparent films in situ in the transmission electron microscope. The resulting texture evolution and grain boundary types produced were evaluated by ex situ electron backscatter diffraction of interrupted anneals. The combination of these two techniques allowed for the investigation of grain growth rates, grain morphologies, and the evolution of the orientation and grain boundary distributions. Grain boundaries were found to progress in a sporadic, start/stop fashion with no evidence of a characteristic grain growth rate. The orientations of the abnormally growing grains were found to be predominately //ND throughout the annealing process. A high fraction of twin boundaries developed during the annealing process. The intermittent growth from different locations of the grain boundary is discussed in terms of a vacancy diffusion model for grain growth.

  5. Performance of process-based models for simulation of grain N in crop rotations across Europe

    DEFF Research Database (Denmark)

    Yin, Xiaogang; Kersebaum, KC; Kollas, C

    2017-01-01

    The accurate estimation of crop grain nitrogen (N; N in grain yield) is crucial for optimizing agricultural N management, especially in crop rotations. In the present study, 12 process-based models were applied to simulate the grain N of i) seven crops in rotations, ii) across various pedo...... (Brassica napus L.). These differences are linked to the intensity of parameterization with better parameterized crops showing lower prediction errors. The model performance was influenced by N fertilization and irrigation treatments, and a majority of the predictions were more accurate under low N...

  6. Coarse graining from variationally enhanced sampling applied to the Ginzburg–Landau model

    Science.gov (United States)

    Invernizzi, Michele; Valsson, Omar; Parrinello, Michele

    2017-01-01

    A powerful way to deal with a complex system is to build a coarse-grained model capable of catching its main physical features, while being computationally affordable. Inevitably, such coarse-grained models introduce a set of phenomenological parameters, which are often not easily deducible from the underlying atomistic system. We present a unique approach to the calculation of these parameters, based on the recently introduced variationally enhanced sampling method. It allows us to obtain the parameters from atomistic simulations, providing thus a direct connection between the microscopic and the mesoscopic scale. The coarse-grained model we consider is that of Ginzburg–Landau, valid around a second-order critical point. In particular, we use it to describe a Lennard–Jones fluid in the region close to the liquid–vapor critical point. The procedure is general and can be adapted to other coarse-grained models. PMID:28292890

  7. Coarse graining from variationally enhanced sampling applied to the Ginzburg-Landau model

    Science.gov (United States)

    Invernizzi, Michele; Valsson, Omar; Parrinello, Michele

    2017-03-01

    A powerful way to deal with a complex system is to build a coarse-grained model capable of catching its main physical features, while being computationally affordable. Inevitably, such coarse-grained models introduce a set of phenomenological parameters, which are often not easily deducible from the underlying atomistic system. We present a unique approach to the calculation of these parameters, based on the recently introduced variationally enhanced sampling method. It allows us to obtain the parameters from atomistic simulations, providing thus a direct connection between the microscopic and the mesoscopic scale. The coarse-grained model we consider is that of Ginzburg-Landau, valid around a second-order critical point. In particular, we use it to describe a Lennard-Jones fluid in the region close to the liquid-vapor critical point. The procedure is general and can be adapted to other coarse-grained models.

  8. The performance of fine-grained and coarse-grained elastic network models and its dependence on various factors.

    Science.gov (United States)

    Na, Hyuntae; Song, Guang

    2015-07-01

    In a recent work we developed a method for deriving accurate simplified models that capture the essentials of conventional all-atom NMA and identified two best simplified models: ssNMA and eANM, both of which have a significantly higher correlation with NMA in mean square fluctuation calculations than existing elastic network models such as ANM and ANMr2, a variant of ANM that uses the inverse of the squared separation distances as spring constants. Here, we examine closely how the performance of these elastic network models depends on various factors, namely, the presence of hydrogen atoms in the model, the quality of input structures, and the effect of crystal packing. The study reveals the strengths and limitations of these models. Our results indicate that ssNMA and eANM are the best fine-grained elastic network models but their performance is sensitive to the quality of input structures. When the quality of input structures is poor, ANMr2 is a good alternative for computing mean-square fluctuations while ANM model is a good alternative for obtaining normal modes. © 2015 Wiley Periodicals, Inc.

  9. Growth of large-size-two-dimensional crystalline pentacene grains for high performance organic thin film transistors

    Directory of Open Access Journals (Sweden)

    Chuan Du

    2012-06-01

    Full Text Available New approach is presented for growth of pentacene crystalline thin film with large grain size. Modification of dielectric surfaces using a monolayer of small molecule results in the formation of pentacene thin films with well ordered large crystalline domain structures. This suggests that pentacene molecules may have significantly large diffusion constant on the modified surface. An average hole mobility about 1.52 cm2/Vs of pentacene based organic thin film transistors (OTFTs is achieved with good reproducibility.

  10. Effect of surface roughness on grain growth and sintering of alumina

    Indian Academy of Sciences (India)

    Administrator

    Variation in surface roughness properties are also correlated with grain size. Rz ... ceramic product having accurate size and shape with per- fect flatness .... Figure 1. Variation in Ra with temperature: (a) fine, (b) intermediate and (c) coarse.

  11. Growth of single crystalline seeds into polycrystalline strontium titanate: Anisotropy of the mobility, intrinsic drag effects and kinetic shape of grain boundaries

    International Nuclear Information System (INIS)

    Rheinheimer, Wolfgang; Bäurer, Michael; Handwerker, Carol A.; Blendell, John E.; Hoffmann, Michael J.

    2015-01-01

    We present a suite of measurements and combined analyses of grain growth in SrTiO 3 for oriented single crystals into polycrystals. The growth distance and standard deviation and the microstructure evolution along the single crystal–matrix interface are used to locally characterize the change in migration behavior as a function of temperature, time and interface orientation. The relative grain boundary mobility was determined between 1250 °C and 1600 °C for four crystallographic orientations {1 0 0}, {1 1 0}, {1 1 1} and {3 1 0}. An absolute mobility of these orientations is estimated. Under fast growth conditions the morphology of single crystals shows macroscopic stepping with parts of the interface rotating to low mobility orientations. This effect represents a kinetic influence on the grain boundary morphology. The results also indicate dragging effects on microstructure coarsening, which indicate the existence of a critical driving force for grain growth. This critical driving force seems to be related to an ‘intrinsic’ interface drag similar to the solute drag, but based on intrinsic defects. At 1460 °C the growth of single crystals was significantly faster than expected from the mobility of the polycrystal and was identified as exaggerated grain growth. The findings give new insights into the recently published grain growth anomaly of strontium titanate, leading to a hypothesis based on the temperature dependent relative mobility of {1 0 0} oriented grain boundaries

  12. Multiresolution Modeling of Semidilute Polymer Solutions: Coarse-Graining Using Wavelet-Accelerated Monte Carlo

    Directory of Open Access Journals (Sweden)

    Animesh Agarwal

    2017-09-01

    Full Text Available We present a hierarchical coarse-graining framework for modeling semidilute polymer solutions, based on the wavelet-accelerated Monte Carlo (WAMC method. This framework forms a hierarchy of resolutions to model polymers at length scales that cannot be reached via atomistic or even standard coarse-grained simulations. Previously, it was applied to simulations examining the structure of individual polymer chains in solution using up to four levels of coarse-graining (Ismail et al., J. Chem. Phys., 2005, 122, 234901 and Ismail et al., J. Chem. Phys., 2005, 122, 234902, recovering the correct scaling behavior in the coarse-grained representation. In the present work, we extend this method to the study of polymer solutions, deriving the bonded and non-bonded potentials between coarse-grained superatoms from the single chain statistics. A universal scaling function is obtained, which does not require recalculation of the potentials as the scale of the system is changed. To model semi-dilute polymer solutions, we assume the intermolecular potential between the coarse-grained beads to be equal to the non-bonded potential, which is a reasonable approximation in the case of semidilute systems. Thus, a minimal input of microscopic data is required for simulating the systems at the mesoscopic scale. We show that coarse-grained polymer solutions can reproduce results obtained from the more detailed atomistic system without a significant loss of accuracy.

  13. An Overview of Grain Growth Theories for Pure Single Phase Systems,

    Science.gov (United States)

    1986-10-01

    the fundamental causes for these distributions. This Blanc and Mocellin (1979) and Carnal and Mocellin (1981j set out to do. 7.1 Monte-Carlo Simulations...termed event B) (in 2-D) of 3-sided grains. (2) Neighbour-switching (termed event C). Blanc and Mocellin (1979) dealt with 2-D sections through...Kurtz and Carpay (1980a). 7.2 Analytical Method to Obtain fn Carnal and Mocellin (1981) obtained the distribution of grain coordination numbers in

  14. Influence of water activity and temperature on growth and fumonisin production by Fusarium proliferatum strains on irradiated wheat grains.

    Science.gov (United States)

    Cendoya, Eugenia; Monge, María Del Pilar; Chiacchiera, Stella Maris; Farnochi, María Cecilia; Ramirez, María Laura

    2018-02-02

    Wheat is the most important cereal consumed by the Argentine population. In previous studies performed in durum and common wheat grains in this country it has been observed fumonisin contamination as well as high incidence of Fusarium proliferatum. Fumonisins are toxic fungal metabolites, and consumption of fumonisin-contaminated maize has been epidemiologically associated with oesophageal cancer and neural tube defects in some human populations. Using irradiated wheat-grains, the effects of abiotic factors, temperature (15, 25, and 30°C) and water activity (a W ; 0.995, 0.98, 0.96, 0.94, 0.92, and 0.88), on mycelial growth and fumonisin biosynthesis were compared for three F. proliferatum strains isolated from wheat grains in Argentina. Although all isolates showed similar profiles of growth, the fumonisin production profiles were slightly different. Maximum growth rates were obtained at the highest a W (0.995) and 25°C, with growth decreasing as the a W of the medium was reduced. Maximum amounts of total fumonisins (FB 1 , FB 2 and FB 3 ) were produced at 0.995 a W and 15°C for 2 strains, and at 25°C and 0.995 a W for the third one. Fumonisins concentrations varied considerably depending on the a W and temperature interactions assayed. Studied strains showed different fumonisin production profiles. Two-dimensional profiles of a W by temperature interactions were developed from these data to identify areas where conditions indicate a significant risk of fumonisins accumulation on wheat. As a result, temperature and a W conditions that resulted in fumonisins production are those found during wheat grain development (especially milk and dough stages) in the field. This is the first study made using irradiated wheat grains and provides useful baseline data on conditions representing a low or a high risk for fumonisins contamination of wheat grains which is of concern because this cereal is destined mainly for human consumption. Copyright © 2017 Elsevier B.V. All

  15. Effects of snow grain shape on climate simulations: sensitivity tests with the Norwegian Earth System Model

    Directory of Open Access Journals (Sweden)

    P. Räisänen

    2017-12-01

    Full Text Available Snow consists of non-spherical grains of various shapes and sizes. Still, in radiative transfer calculations, snow grains are often treated as spherical. This also applies to the computation of snow albedo in the Snow, Ice, and Aerosol Radiation (SNICAR model and in the Los Alamos sea ice model, version 4 (CICE4, both of which are employed in the Community Earth System Model and in the Norwegian Earth System Model (NorESM. In this study, we evaluate the effect of snow grain shape on climate simulated by NorESM in a slab ocean configuration of the model. An experiment with spherical snow grains (SPH is compared with another (NONSPH in which the snow shortwave single-scattering properties are based on a combination of three non-spherical snow grain shapes optimized using measurements of angular scattering by blowing snow. The key difference between these treatments is that the asymmetry parameter is smaller in the non-spherical case (0.77–0.78 in the visible region than in the spherical case ( ≈  0.89. Therefore, for the same effective snow grain size (or equivalently, the same specific projected area, the snow broadband albedo is higher when assuming non-spherical rather than spherical snow grains, typically by 0.02–0.03. Considering the spherical case as the baseline, this results in an instantaneous negative change in net shortwave radiation with a global-mean top-of-the-model value of ca. −0.22 W m−2. Although this global-mean radiative effect is rather modest, the impacts on the climate simulated by NorESM are substantial. The global annual-mean 2 m air temperature in NONSPH is 1.17 K lower than in SPH, with substantially larger differences at high latitudes. The climatic response is amplified by strong snow and sea ice feedbacks. It is further demonstrated that the effect of snow grain shape could be largely offset by adjusting the snow grain size. When assuming non-spherical snow grains with the parameterized grain

  16. Effects of snow grain shape on climate simulations: sensitivity tests with the Norwegian Earth System Model

    Science.gov (United States)

    Räisänen, Petri; Makkonen, Risto; Kirkevåg, Alf; Debernard, Jens B.

    2017-12-01

    Snow consists of non-spherical grains of various shapes and sizes. Still, in radiative transfer calculations, snow grains are often treated as spherical. This also applies to the computation of snow albedo in the Snow, Ice, and Aerosol Radiation (SNICAR) model and in the Los Alamos sea ice model, version 4 (CICE4), both of which are employed in the Community Earth System Model and in the Norwegian Earth System Model (NorESM). In this study, we evaluate the effect of snow grain shape on climate simulated by NorESM in a slab ocean configuration of the model. An experiment with spherical snow grains (SPH) is compared with another (NONSPH) in which the snow shortwave single-scattering properties are based on a combination of three non-spherical snow grain shapes optimized using measurements of angular scattering by blowing snow. The key difference between these treatments is that the asymmetry parameter is smaller in the non-spherical case (0.77-0.78 in the visible region) than in the spherical case ( ≈ 0.89). Therefore, for the same effective snow grain size (or equivalently, the same specific projected area), the snow broadband albedo is higher when assuming non-spherical rather than spherical snow grains, typically by 0.02-0.03. Considering the spherical case as the baseline, this results in an instantaneous negative change in net shortwave radiation with a global-mean top-of-the-model value of ca. -0.22 W m-2. Although this global-mean radiative effect is rather modest, the impacts on the climate simulated by NorESM are substantial. The global annual-mean 2 m air temperature in NONSPH is 1.17 K lower than in SPH, with substantially larger differences at high latitudes. The climatic response is amplified by strong snow and sea ice feedbacks. It is further demonstrated that the effect of snow grain shape could be largely offset by adjusting the snow grain size. When assuming non-spherical snow grains with the parameterized grain size increased by ca. 70 %, the

  17. Solar Ion Processing of Itokawa Grains: Reconciling Model Predictions with Sample Observations

    Science.gov (United States)

    Christoffersen, Roy; Keller, L. P.

    2014-01-01

    Analytical TEM observations of Itokawa grains reported to date show complex solar wind ion processing effects in the outer 30-100 nm of pyroxene and olivine grains. The effects include loss of long-range structural order, formation of isolated interval cavities or "bubbles", and other nanoscale compositional/microstructural variations. None of the effects so far described have, however, included complete ion-induced amorphization. To link the array of observed relationships to grain surface exposure times, we have adapted our previous numerical model for progressive solar ion processing effects in lunar regolith grains to the Itokawa samples. The model uses SRIM ion collision damage and implantation calculations within a framework of a constant-deposited-energy model for amorphization. Inputs include experimentally-measured amorphization fluences, a Pi steradian variable ion incidence geometry required for a rotating asteroid, and a numerical flux-versus-velocity solar wind spectrum.

  18. 3D CAFE modeling of grain structures: application to primary dendritic and secondary eutectic solidification

    International Nuclear Information System (INIS)

    Carozzani, T; Digonnet, H; Gandin, Ch-A

    2012-01-01

    A three-dimensional model is presented for the prediction of grain structures formed in casting. It is based on direct tracking of grain boundaries using a cellular automaton (CA) method. The model is fully coupled with a solution of the heat flow computed with a finite element (FE) method. Several unique capabilities are implemented including (i) the possibility to track the development of several types of grain structures, e.g. dendritic and eutectic grains, (ii) a coupling scheme that permits iterations between the FE method and the CA method, and (iii) tabulated enthalpy curves for the solid and liquid phases that offer the possibility to work with multicomponent alloys. The present CAFE model is also fully parallelized and runs on a cluster of computers. Demonstration is provided by direct comparison between simulated and recorded cooling curves for a directionally solidified aluminum–7 wt% silicon alloy

  19. Plastic strain and grain size effects in the surface roughening of a model aluminum alloy

    Science.gov (United States)

    Moore, Eric Joseph

    To address issues surrounding improved automotive fuel economy, an experiment was designed to study the effect of uniaxial plastic tensile deformation on surface roughness and on slip and grain rotation. Electron backscatter diffraction (EBSD) and scanning laser confocal microscopy (SLCM) were used to track grain size, crystallographic texture, and surface topography as a function of incremental true strain for a coarse-grained binary alloy that is a model for AA5xxx series aluminum alloys. One-millimeter thick sheets were heat treated at 425°C to remove previous rolling texture and to grow grains to sizes in the range ˜10-8000 mum. At five different strain levels, 13 sample regions, containing 43 grains, were identified in both EBSD and SLCM micrographs, and crystallographic texture and surface roughness were measured. After heat treatment, a strong cube texture matrix emerged, with bands of generally non-cube grains embedded parallel to the rolling direction (RD). To characterize roughness, height profiles from SLCM micrographs were extracted and a filtered Fourier transform approach was used to separate the profiles into intergranular (long wavelength) and intragranular (short wavelength) signatures. The commonly-used rms roughness parameter (Rq) characterized intragranular results. Two important parameters assess intergranular results in two grain size regimes: surface tilt angle (Deltatheta) and surface height discontinuity (DeltazH) between neighboring grains at a boundary. In general, the magnitude of Rq and Deltatheta increase monotonically with strain and indicate that intergranular roughness is the major contributor to overall surface roughness for true strains up to epsilon = 0.12. Surface height discontinuity DeltazH is defined due to exceptions in surface tilt angle analyses. The range of observed Deltatheta= 1-10° are consistent with the observed 3-12° rotation of individual grains as measured with EBSD. For some grain boundaries with Deltatheta

  20. Effect of the New Plant Growth Biostimulants Based on Amino Acids on Yield and Grain Quality of Winter Wheat.

    Science.gov (United States)

    Popko, Małgorzata; Michalak, Izabela; Wilk, Radosław; Gramza, Mateusz; Chojnacka, Katarzyna; Górecki, Henryk

    2018-02-21

    Field and laboratory experiments were carried out in 2012-2013, aimed at evaluating the influence of new products stimulating plant growth based on amino acids on crop yield, characteristics of grain and content of macro- and micronutrients in winter wheat ( Triticum aestivum L.). The tests included two formulations produced in cooperation with INTERMAG Co. (Olkusz, Poland)-AminoPrim and AminoHort, containing 15% and 20% amino acids, respectively, and 0.27% and 2.1% microelements, respectively. Field experiments showed that the application of products based on amino acids influenced the increase of grain yield of winter wheat (5.4% and 11%, respectively, for the application of AminoPrim at a dose 1.0 L/ha and AminoHort at dose 1.25 L/ha) when compared to the control group without biostimulant. Laboratory tests showed an increase of technological characteristics of grain such as ash content, Zeleny sedimentation index and content of protein. The use of the tested preparations at different doses also contributed to the increase of the nutrients content in grains, in particular copper (ranging 31-50%), as well as sodium (35-43%), calcium (4.3-7.9%) and molybdenum (3.9-16%). Biostimulants based on amino acids, tested in the present study, can be recommended for an efficient agricultural production.

  1. Modeling the effects of cooling rate, hydrogen content, grain refiner and modifier on microporosity formation in Al A356 alloys

    Energy Technology Data Exchange (ETDEWEB)

    Conley, J.G.; Huang, J.; Asada, J.; Akiba, K. [Northwestern Univ., Evanston, IL (United States). Dept. of Mechanical Engineering

    2000-06-15

    Cast Aluminum-Silicon alloys are used in numerous automotive and industrial weight sensitive applications because of their low density and excellent castability. The presence of trapped gas and or shrinkage pores in certain locations within castings has been shown to influence fatigue life. These micromechanical defects can be found most anywhere in a casting depending on processing conditions. A large amount of porosity located in the center of the cast material thickness may have no effect on mechanical properties or fatigue performance. A smaller, isolated pore near a surface may have a significant impact on mechanical properties. Hence, it is important to develop a comprehensive model to predict the size, location and distribution of microporosity in castings. In this work, we model the effect of various casting process parameters on microporosity formation for aluminum A356 alloy castings. The process parameters include cooling rate, hydrogen content, grain refiner and modifier. The proposed two-dimensional model predicts the size, morphology and distribution of microporosity at a given location in the casting. The method couples a mathematical model of porosity evolution with a probabilistic grain structure prediction model. The porosity evolution model is based on the simultaneous solution of the continuity and momentum equations for the metal and the mass conservation equation for the dissolved gas. The nucleation and growth of grains are simulated with a probabilistic method that uses the information from a heat transfer simulation, i.e. temperature and solid fraction, to determine the transition rules for grain evolution. The simulation results correlate well with experimental observation of porosity in cast structures. (orig.)

  2. Modeling grain boundaries in polycrystals using cohesive elements: Qualitative and quantitative analysis

    Energy Technology Data Exchange (ETDEWEB)

    El Shawish, Samir, E-mail: Samir.ElShawish@ijs.si [Jožef Stefan Institute, Jamova cesta 39, SI-1000 Ljubljana (Slovenia); Cizelj, Leon [Jožef Stefan Institute, Jamova cesta 39, SI-1000 Ljubljana (Slovenia); Simonovski, Igor [European Commission, DG-JRC, Institute for Energy and Transport, P.O. Box 2, NL-1755 ZG Petten (Netherlands)

    2013-08-15

    Highlights: ► We estimate the performance of cohesive elements for modeling grain boundaries. ► We compare the computed stresses in ABAQUS finite element solver. ► Tests are performed in analytical and realistic models of polycrystals. ► Most severe issue is found within the plastic grain response. ► Other identified issues are related to topological constraints in modeling space. -- Abstract: We propose and demonstrate several tests to estimate the performance of the cohesive elements in ABAQUS for modeling grain boundaries in complex spatial structures such as polycrystalline aggregates. The performance of the cohesive elements is checked by comparing the computed stresses with the theoretically predicted values for a homogeneous material under uniaxial tensile loading. Statistical analyses are performed under different loading conditions for two elasto-plastic models of the grains: isotropic elasticity with isotropic hardening plasticity and anisotropic elasticity with crystal plasticity. Tests are conducted on an analytical finite element model generated from Voronoi tessellation as well as on a realistic finite element model of a stainless steel wire. The results of the analyses highlight several issues related to the computation of normal and shear stresses. The most severe issue is found within the plastic grain response where the computed normal stresses on a particularly oriented cohesive elements are significantly underestimated. Other issues are found to be related to topological constraints in the modeling space and result in the increased scatter of the computed stresses.

  3. Boltzmann rovibrational collisional coarse-grained model for internal energy excitation and dissociation in hypersonic flows.

    Science.gov (United States)

    Munafò, A; Panesi, M; Magin, T E

    2014-02-01

    A Boltzmann rovibrational collisional coarse-grained model is proposed to reduce a detailed kinetic mechanism database developed at NASA Ames Research Center for internal energy transfer and dissociation in N(2)-N interactions. The coarse-grained model is constructed by lumping the rovibrational energy levels of the N(2) molecule into energy bins. The population of the levels within each bin is assumed to follow a Boltzmann distribution at the local translational temperature. Excitation and dissociation rate coefficients for the energy bins are obtained by averaging the elementary rate coefficients. The energy bins are treated as separate species, thus allowing for non-Boltzmann distributions of their populations. The proposed coarse-grained model is applied to the study of nonequilibrium flows behind normal shock waves and within converging-diverging nozzles. In both cases, the flow is assumed inviscid and steady. Computational results are compared with those obtained by direct solution of the master equation for the rovibrational collisional model and a more conventional multitemperature model. It is found that the proposed coarse-grained model is able to accurately resolve the nonequilibrium dynamics of internal energy excitation and dissociation-recombination processes with only 20 energy bins. Furthermore, the proposed coarse-grained model provides a superior description of the nonequilibrium phenomena occurring in shock heated and nozzle flows when compared with the conventional multitemperature models.

  4. Measurements of the effective thermal neutron absorption cross-section in multi-grain models

    International Nuclear Information System (INIS)

    Drozdowicz, K.; Gabanska, B.; Igielski, A.; Krynicka, E.; Schneider, K.; Woznicka, U.

    2005-01-01

    The effective macroscopic absorption cross-section Σ a eff of thermal neutrons in a grained medium differs from the corresponding cross-section Σ a hom in the homogeneous medium consisting of the same components, contributing in the same amounts. The ratio of these cross-sections defines the grain parameter, G, which is a measure of heterogeneity of the system for neutron absorption. Heterogeneous models have been built as two- or three-component systems (Ag, Cu and Co 3 O 4 grains distributed in a regular grid in Plexiglas, in various proportions between them). The effective absorption cross-section has been measured and the experimental grain parameter has been found for each model. The obtained values are in the interval 0.34 < G < 0.58, while G = 1 means the homogeneous material. (author)

  5. Parameters Online Detection and Model Predictive Control during the Grain Drying Process

    Directory of Open Access Journals (Sweden)

    Lihui Zhang

    2013-01-01

    Full Text Available In order to improve the grain drying quality and automation level, combined with the structural characteristics of the cross-flow circulation grain dryer designed and developed by us, the temperature, moisture, and other parameters measuring sensors were placed on the dryer, to achieve online automatic detection of process parameters during the grain drying process. A drying model predictive control system was set up. A grain dry predictive control model at constant velocity and variable temperature was established, in which the entire process was dried at constant velocity (i.e., precipitation rate per hour is a constant and variable temperature. Combining PC with PLC, and based on LabVIEW, a system control platform was designed.

  6. Grain growth behavior of Li{sub 4}SiO{sub 4} pebbles fabricated by agar method for tritium breeder

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Maoqiao [School of Materials Science and Engineering, University of Science and Technology Beijing, 30 Xueyuan Road, Haidian District, Beijing 100083 (China); Zhang, Yingchun, E-mail: zycustb@126.com [School of Materials Science and Engineering, University of Science and Technology Beijing, 30 Xueyuan Road, Haidian District, Beijing 100083 (China); Zhang, Yun; Wang, Chaofu; Liu, Wei [School of Materials Science and Engineering, University of Science and Technology Beijing, 30 Xueyuan Road, Haidian District, Beijing 100083 (China); Yu, Yonghong [Department of Physics, Renmin University of China, Beijing, 100872 (China)

    2016-11-15

    Highlights: • Grain sizes of Li{sub 4}SiO{sub 4} were adjusted by different silicon sources. • Grain growth exponent of Li{sub 4}SiO{sub 4} was about 3. • Grain growth activation energy of Li{sub 4}SiO{sub 4} was about 125.54 kJ/mol. • Grain growth of Li{sub 4}SiO{sub 4} pebble was controlled by vapor transport. - Abstract: The Li{sub 4}SiO{sub 4} tritium breeding pebbles will be filled in the blanket and used for 2 years or more at high temperatures, which would increase the grain size and affect tritium release. Hence, grain sizes of the Li{sub 4}SiO{sub 4} pebbles fabricated by agar method were investigated, and two kinds of different silicon sources (crystal and amorphous SiO{sub 2}) with different particle sizes were used. The particle size of SiO{sub 2} could affect grain size and density of the Li{sub 4}SiO{sub 4} pebble. And the isothermal sintering was carried out to study the grain growth kinetics of Li{sub 4}SiO{sub 4}. The grain growth exponent (n) and the activation energy (Q) were calculated by the phenomenological kinetic equation. The calculated n values were 4.10, 3.98, 3.34 and 2.96, and corresponding Q values were 152.15, 147.99, 125.54 and 110.58 kJ/mol, respectively. At the higher sintering temperatures (950 and 1000 °C), the grain growth of Li{sub 4}SiO{sub 4} was controlled by vapor transport.

  7. Columnar grain growth of FePt(L10) thin films

    International Nuclear Information System (INIS)

    Yang En; Ho Hoan; Laughlin, David E.; Zhu Jiangang

    2012-01-01

    An experimental approach for obtaining perpendicular FePt-SiOx thin films with a large height to diameter ratio FePt(L1 0 ) columnar grains is presented in this work. The microstructure for FePt-SiOx composite thin films as a function of oxide volume fraction, substrate temperature, and film thickness is studied by plan view and cross section TEM. The relations between processing, microstructure, epitaxial texture, and magnetic properties are discussed. By tuning the thickness of the magnetic layer and the volume fraction of oxide in the film at a sputtering temperature of 410 deg. C, a 16 nm thick perpendicular FePt film with ∼8 nm diameter of FePt grains was obtained. The height to diameter ratio of the FePt grains was as large as 2. Ordering at lower temperature can be achieved by introducing a Ag sacrificial layer.

  8. High day- and night-time temperatures affect grain growth dynamics in contrasting rice genotypes.

    Science.gov (United States)

    Shi, Wanju; Yin, Xinyou; Struik, Paul C; Solis, Celymar; Xie, Fangming; Schmidt, Ralf C; Huang, Min; Zou, Yingbin; Ye, Changrong; Jagadish, S V Krishna

    2017-11-02

    Rice grain yield and quality are predicted to be highly vulnerable to global warming. Five genotypes including heat-tolerant and susceptible checks, a heat-tolerant near-isogenic line and two hybrids were exposed to control (31 °C/23 °C, day/night), high night-time temperature (HNT; 31 °C/30 °C), high day-time temperature (HDT; 38 °C/23 °C) and high day- and night-time temperature (HNDT; 38 °C/30 °C) treatments for 20 consecutive days during the grain-filling stage. Grain-filling dynamics, starch metabolism enzymes, temporal starch accumulation patterns and the process of chalk formation were quantified. Compensation between the rate and duration of grain filling minimized the impact of HNT, but irreversible impacts on seed-set, grain filling and ultimately grain weight were recorded with HDT and HNDT. Scanning electron microscopy demonstrated irregular and smaller starch granule formation affecting amyloplast build-up with HDT and HNDT, while a quicker but normal amylopast build-up was recorded with HNT. Our findings revealed temporal variation in the starch metabolism enzymes in all three stress treatments. Changes in the enzymatic activity did not derail starch accumulation under HNT when assimilates were sufficiently available, while both sucrose supply and the conversion of sucrose into starch were affected by HDT and HNDT. The findings indicate differential mechanisms leading to high day and high night temperature stress-induced loss in yield and quality. Additional genetic improvement is needed to sustain rice productivity and quality under future climates. © Society for Experimental Biology 2017.

  9. Viscoelastic model of tungsten 'fuzz' growth

    International Nuclear Information System (INIS)

    Krasheninnikov, S I

    2011-01-01

    A viscoelastic model of fuzz growth is presented. The model describes the main features of tungsten fuzz observed in experiments. It gives estimates of fuzz growth rate and temperature range close to experimental ones.

  10. Modeling and Measurement of 39Ar Recoil Loss From Biotite as a Function of Grain Dimensions

    Science.gov (United States)

    Paine, J. H.; Nomade, S.; Renne, P. R.

    2004-12-01

    The call for age measurements with less than 1 per mil error puts a demand upon geochronologists to be aware of and quantify a number of problems which were previously negligible. One such factor is 39Ar recoil loss during sample irradiation, a phenomenon which is widely assumed to affect only unusually small crystals having exceptionally high surface/volume ratios. This phenomenon has important implications for thermochronologic studies seeking to exploit a range of closure temperatures arising from variable diffusion radii. Our study focuses on biotite, in which spatial isotope distributions cannot be reliably recovered by stepwise heating and which therefore lack recoil-diagnostic age spectrum behavior. Previous work by Renne et al. [Application of a deuteron-deuteron (D-D) neutron generator to 40Ar/39Ar geochronology, Applied Radiation and Isotopes, in press] used the SRIM code to calculate a ˜20% 39Ar recoil loss from the outermost 0.25 μ m of an infinite slab of phyllosillicate. This result is applied to measured grains of the biotite standard GA1550, a hypabyssal granite from the Mount Dromedary Complex, Australia. We measure the thickness and surface area of 166 grains and approximate the shape of each grain as a cylinder. Grain thickness ranges from 3 to 210 μ m, with an average grain radius of 350 μ m. We predict the amount of 39Ar recoil loss from each grain, finding an expected age error >0.1 % for grains thinner than 150 μ m, a >1% error for grain less than 10 μ m thick, and up to a 3% error for grains less than 3 μ m thick. These modeling results will be tested by analysis of the measured grains after irradiation in the Oregon State University TRIGA reactor. It is important to either account for 39Ar loss in thin biotite grains, or use sufficiently thick ones so that recoil loss is negligible. Our results indicate that only biotite grains thicker than 150 μ m should be used for neutron fluence monitoring in order to avoid bias greater than the

  11. Toward multiscale modelings of grain-fluid systems

    Science.gov (United States)

    Chareyre, Bruno; Yuan, Chao; Montella, Eduard P.; Salager, Simon

    2017-06-01

    Computationally efficient methods have been developed for simulating partially saturated granular materials in the pendular regime. In contrast, one hardly avoid expensive direct resolutions of 2-phase fluid dynamics problem for mixed pendular-funicular situations or even saturated regimes. Following previous developments for single-phase flow, a pore-network approach of the coupling problems is described. The geometry and movements of phases and interfaces are described on the basis of a tetrahedrization of the pore space, introducing elementary objects such as bridge, meniscus, pore body and pore throat, together with local rules of evolution. As firmly established local rules are still missing on some aspects (entry capillary pressure and pore-scale pressure-saturation relations, forces on the grains, or kinetics of transfers in mixed situations) a multi-scale numerical framework is introduced, enhancing the pore-network approach with the help of direct simulations. Small subsets of a granular system are extracted, in which multiphase scenario are solved using the Lattice-Boltzman method (LBM). In turns, a global problem is assembled and solved at the network scale, as illustrated by a simulated primary drainage.

  12. High day- and night-time temperatures affect grain growth dynamics in contrasting rice genotypes

    NARCIS (Netherlands)

    Shi, Wanju; Yin, Xinyou; Struik, Paul C.; Solis, Celymar; Xie, Fangming; Schmidt, Ralf C.; Huang, Min; Zou, Yingbin; Ye, Changrong; Jagadish, S.V.K.

    2017-01-01

    Rice grain yield and quality are predicted to be highly vulnerable to global warming. Five genotypes including heat-tolerant and susceptible checks, a heat-tolerant near-isogenic line and two hybrids were exposed to control (31 °C/23 °C, day/night), high night-time temperature (HNT; 31 °C/30 °C),

  13. Heat stress in wheat (Triticum aestivum L.): Effects on grain growth and quality traits

    NARCIS (Netherlands)

    Spiertz, J.H.J.; Hamer, R.J.; Xu, H.; Primo-Martin, C.; Don, C.; Putten, P.E.L. van der

    2006-01-01

    Heat stress effects on grain dry mass and quality were studied in spring wheat genotypes (Triticum aestivum L.). Three cultivars were chosen with respect to heat tolerance: Lavett (genotype 1), selected for temperate growing conditions and two CIMMYT cultivars, Ciano-79 (genotype 2) and Attila

  14. Growth, Structure and Firm Dynamics in Grain Markets: The Case of ...

    African Journals Online (AJOL)

    Optiplex 7010 Pro

    market, firms faced with a U-shaped average cost curve will grow until they reach the ... Regulation and institutional challenges may also deter firm owners from making .... owners/managers account for only 10% of the grain traders. Women ...

  15. Na-assisted grain growth in CZTS nanoparticle thin films for solar cell applications

    DEFF Research Database (Denmark)

    Engberg, Sara Lena Josefin; Crovetto, Andrea; Hansen, Ole

    2017-01-01

    signal increased by a factor of 200 after Na-inclusion. Without Na, the grains were very difficult to sinter, the film was porous, and the photoluminescence was low. A concentration of Na/(Cu+Zn+Sn)=30% was necessary for the densification of the absorber, which is significantly higher than that used...

  16. Mudcake growth: Model and implications

    KAUST Repository

    Liu, Q.

    2017-12-15

    Oil and gas account for 60% of the world\\'s energy consumption. Drilling muds that are used to advance oil and gas wells must be engineered to avoid wellbore integrity problems associated with mud cake formation, to favor cake erosion during cementing, and to prevent partial differential sticking. We developed a robust mud cake growth model for water-based mud based on wide stress-range constitutive equations within a Lagrangian reference system to avoid non-natural moving boundary solutions. The comprehensive mud cake growth model readily accommodates environmental factors (e.g., temperature, pH, and ionic concentration) and defines the yield stress distribution for displacement-erosion analyses. Results show that the mud cake thickness is more sensitive to time than to filtration pressure, therefore, time controls the non-uniform distribution of mudcake thickness during drilling. Long filtration time, high permeability, high salinity, high in-situ temperature and low viscosity exacerbate fluid loss and give rise to thick filter cakes. The analysis of residual cake thickness during cement displacement must take into account the effective stress dependent mudcake formation and the time-dependent mud thixotropy. Thixotropy dominates the mud yield stress at high void ratios, e.g. e > 20. The offsetting force that causes differential pressure sticking increases sub-linearly as a power function of the still-time.

  17. CURVED WALLS: GRAIN GROWTH, SETTLING, AND COMPOSITION PATTERNS IN T TAURI DISK DUST SUBLIMATION FRONTS

    Energy Technology Data Exchange (ETDEWEB)

    McClure, M. K.; Calvet, N.; Hartmann, L.; Ingleby, L. [Department of Astronomy, The University of Michigan, 500 Church Street, 830 Dennison Building., Ann Arbor, MI 48109 (United States); D' Alessio, P. [Centro de Radioastronomía y Astrofísica, Universidad Nacional Autónoma de México, 58089 Morelia, Michoacán (Mexico); Espaillat, C. [Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Sargent, B. [Center for Imaging Science and Laboratory for Multiwavelength Astrophysics, Rochester Institute of Technology, 54 Lomb Memorial Drive, Rochester, NY 14623 (United States); Watson, D. M. [Department of Physics and Astronomy, University of Rochester, Rochester, NY 14627 (United States); Hernández, J., E-mail: melisma@umich.edu, E-mail: ncalvet@umich.edu, E-mail: lhartm@umich.edu, E-mail: lingleby@umich.edu, E-mail: p.dalessio@astrosmo.unam.mx, E-mail: cespaillat@cfa.harvard.edu, E-mail: baspci@rit.edu, E-mail: dmw@pas.rochester.edu, E-mail: hernandj@cida.ve [Centro de Investigaciones de Astronomía (CIDA), Mérida 5101-A (Venezuela, Bolivarian Republic of)

    2013-10-01

    The dust sublimation walls of disks around T Tauri stars represent a directly observable cross-section through the disk atmosphere and midplane. Their emission properties can probe the grain size distribution and composition of the innermost regions of the disk, where terrestrial planets form. Here we calculate the inner dust sublimation wall properties for four classical T Tauri stars with a narrow range of spectral types and inclination angles and a wide range of mass accretion rates to determine the extent to which the walls are radially curved. Best fits to the near- and mid-IR excesses are found for curved, two-layer walls in which the lower layer contains larger, hotter, amorphous pyroxene grains with Mg/(Mg+Fe) = 0.6 and the upper layer contains submicron, cooler, mixed amorphous olivine and forsterite grains. As the mass accretion rates decrease from 10{sup –8} to 10{sup –10} M{sub ☉} yr{sup –1}, the maximum grain size in the lower layer decreases from ∼3 to 0.5 μm. We attribute this to a decrease in fragmentation and turbulent support for micron-sized grains with decreasing viscous heating. The atmosphere of these disks is depleted of dust with dust-gas mass ratios 1 × 10{sup –4} of the interstellar medium (ISM) value, while the midplane is enhanced to eight times the ISM value. For all accretion rates, the wall contributes at least half of the flux in the optically thin 10 μm silicate feature. Finally, we find evidence for an iron gradient in the disk, suggestive of that found in our solar system.

  18. CURVED WALLS: GRAIN GROWTH, SETTLING, AND COMPOSITION PATTERNS IN T TAURI DISK DUST SUBLIMATION FRONTS

    International Nuclear Information System (INIS)

    McClure, M. K.; Calvet, N.; Hartmann, L.; Ingleby, L.; D'Alessio, P.; Espaillat, C.; Sargent, B.; Watson, D. M.; Hernández, J.

    2013-01-01

    The dust sublimation walls of disks around T Tauri stars represent a directly observable cross-section through the disk atmosphere and midplane. Their emission properties can probe the grain size distribution and composition of the innermost regions of the disk, where terrestrial planets form. Here we calculate the inner dust sublimation wall properties for four classical T Tauri stars with a narrow range of spectral types and inclination angles and a wide range of mass accretion rates to determine the extent to which the walls are radially curved. Best fits to the near- and mid-IR excesses are found for curved, two-layer walls in which the lower layer contains larger, hotter, amorphous pyroxene grains with Mg/(Mg+Fe) = 0.6 and the upper layer contains submicron, cooler, mixed amorphous olivine and forsterite grains. As the mass accretion rates decrease from 10 –8 to 10 –10 M ☉ yr –1 , the maximum grain size in the lower layer decreases from ∼3 to 0.5 μm. We attribute this to a decrease in fragmentation and turbulent support for micron-sized grains with decreasing viscous heating. The atmosphere of these disks is depleted of dust with dust-gas mass ratios 1 × 10 –4 of the interstellar medium (ISM) value, while the midplane is enhanced to eight times the ISM value. For all accretion rates, the wall contributes at least half of the flux in the optically thin 10 μm silicate feature. Finally, we find evidence for an iron gradient in the disk, suggestive of that found in our solar system

  19. 3-D and quasi-2-D discrete element modeling of grain commingling in a bucket elevator boot system

    Science.gov (United States)

    Unwanted grain commingling impedes new quality-based grain handling systems and has proven to be an expensive and time consuming issue to study experimentally. Experimentally validated models may reduce the time and expense of studying grain commingling while providing additional insight into detail...

  20. Modeling elasto-plastic behavior of polycrystalline grain structure of steels at mesoscopic level

    International Nuclear Information System (INIS)

    Kovac, Marko; Cizelj, Leon

    2005-01-01

    The multiscale model is proposed to explicitly account for the inhomogeneous structure of polycrystalline materials. Grains and grain boundaries are modeled explicitly using Voronoi tessellation. The constitutive model of crystal grains utilizes anisotropic elasticity and crystal plasticity. Commercially available finite element code is applied to solve the boundary value problem defined at the macroscopic scale. No assumption regarding the distribution of the mesoscopic strain and stress fields is used, apart the finite element discretization. The proposed model is then used to estimate the minimum size of polycrystalline aggregate of selected reactor pressure vessel steel (22 NiMoCr 3 7), above which it can be considered macroscopically homogeneous. Elastic and rate-independent plastic deformation modes are considered. The results are validated by the experimental and simulation results from the literature

  1. FROM ATOMISTIC TO SYSTEMATIC COARSE-GRAINED MODELS FOR MOLECULAR SYSTEMS

    KAUST Repository

    Harmandaris, Vagelis

    2017-10-03

    The development of systematic (rigorous) coarse-grained mesoscopic models for complex molecular systems is an intense research area. Here we first give an overview of methods for obtaining optimal parametrized coarse-grained models, starting from detailed atomistic representation for high dimensional molecular systems. Different methods are described based on (a) structural properties (inverse Boltzmann approaches), (b) forces (force matching), and (c) path-space information (relative entropy). Next, we present a detailed investigation concerning the application of these methods in systems under equilibrium and non-equilibrium conditions. Finally, we present results from the application of these methods to model molecular systems.

  2. Grain fracture model and its application to strength evaluation in engineering ceramics

    Science.gov (United States)

    Hoshide, Toshihiko

    1993-02-01

    A new model of cracking process in ceramics is developed assuming the fracture of the grain just ahead of a flaw, such as a crack or a notch, during the loading process, prior to the final unstable fracture. Based on the grain fracture model, a simulation was carried out to explain the anomalous behavior of small flaws and the notch width effect, which were reported by Evans and Langdon (1976) and Hoshide et al. (1984) and by Bertolotti (1973) and Pabst et al. (1982), respectively. It is shown that the analytical relations of the new model can explain the experimental results for both situations.

  3. A dissolution-diffusion sliding model for soft rock grains with hydro-mechanical effect

    Directory of Open Access Journals (Sweden)

    Z. Liu

    2018-06-01

    Full Text Available The deformation and failure of soft rock affected by hydro-mechanical (HM effect are one of the most concerns in geotechnical engineering, which are basically attributed to the grain sliding of soft rock. This study tried to develop a dissolution-diffusion sliding model for the typical red bed soft rock in South China. Based on hydration film, mineral dissolution and diffusion theory, and geochemical thermodynamics, a dissolution-diffusion sliding model with the HM effect was established to account for the sliding rate. Combined with the digital image processing technology, the relationship between the grain size of soft rock and the amplitude of sliding surface was presented. An equation for the strain rate of soft rocks under steady state was also derived. The reliability of the dissolution-diffusion sliding model was verified by triaxial creep tests on the soft rock with the HM coupling effect and by the relationship between the inversion average disjoining pressure and the average thickness of the hydration film. The results showed that the sliding rate of the soft rock grains was affected significantly by the waviness of sliding surface, the shear stress, and the average thickness of hydration film. The average grain size is essential for controlling the steady-state creep rate of soft rock. This study provides a new idea for investigating the deformation and failure of soft rock with the HM effect. Keywords: Soft rock, Hydro-mechanical (HM effect, Mineral dissolution-diffusion, Grain sliding model

  4. Effect of V-Nd co-doping on phase transformation and grain growth process of TiO2

    Science.gov (United States)

    Khatun, Nasima; Amin, Ruhul; Anita, Sen, Somaditya

    2018-05-01

    The pure and V-Nd co-doped TiO2 samples are prepared by the modified sol-gel process. The phase formation is confirmed by XRD spectrum. Phase transformation is delayed in V-Nd co-doped TiO2 (TVN) samples compared to pure TiO2. The particle size is comparatively small in TVN samples at both the temperature 450 °C and 900 °C. Hence the effect of Nd doping is dominated over V doping in both phase transformation and grain growth process of TiO2.

  5. Matérn's hard core models of types I and II with arbitrary compact grains

    DEFF Research Database (Denmark)

    Kiderlen, Markus; Hörig, Mario

    Matérn's classical hard core models can be interpreted as models obtained from a stationary marked Poisson process by dependent thinning. The marks are balls of fixed radius, and a point is retained when its associated ball does not hit any other balls (type I) or when its random birth time is st...... of this model with the process of intact grains of the dead leaves model and the Stienen model leads to analogous results for the latter....

  6. Box-scan: A novel 3DXRD method for studies of recrystallization and grain growth

    DEFF Research Database (Denmark)

    Lyckegaard, Allan; Poulsen, Henning Friis; Ludwig, Wolfgang

    2012-01-01

    Within the last decade a number of x-ray diffraction methods have been presented for non-destructive 3D characterization of polycrystalline materials. 3DXRD [1] and Diffraction Contrast Tomography [2,3,4] are examples of such methods providing full spatial and crystallographic information...... of the individual grains. Both methods rely on specially designed high-resolution near-field detectors for acquire the shape of the illuminated grains, and therefore the spatial resolution is for both methods limited by the resolution of the detector, currently ~2 micrometers. Applying these methods using...... for dynamic studies requiring high temporal resolution and set-ups involving bulky sample environments (e.g. furnaces, stress-rigs etc.)...

  7. Impact of integrated nutrient management on growth and grain yield of wheat under irrigated cropping system

    International Nuclear Information System (INIS)

    Nawab, K.; Amanullah, A.; Shah, P.; Arif, M.; Khan, A.M.

    2011-01-01

    Field study was conducted during 2001-02 and 2002-03 to investigate the effect of cropping patterns and farm yard manure, potassium and zinc on the grain yield of wheat. Trials were conducted at Agricultural Research Farm, KPK Agricultural University Peshawar, Pakistan. Two factors cropping patterns and manures/fertilizers were studied in the experiment. Randomized complete block design was used with split plot arrangements and four replications having net plot size of 12 m/sup 2/. Wheat variety Ghaznavi-98 was sown in November soon after ploughing the soil at proper moisture level suitable for wheat seed germination. Five cropping patterns were allotted to main plots and the eight combinations of FYM, K and Zn to the sub-plots. Same plots were used for next year sowing. Effects of five cropping patterns i.e., rice-wheat, maize-wheat, sunflower-wheat, sorghum-wheat and pigeon pea-wheat and three organic and in-organic fertilizers (Farmyard Manure, Potassium and Zinc) on subsequent wheat crop were observed. Highest grain yield was obtained when wheat was planted after pigeon pea. Manures/fertilizer application (Farmyard Manure, Potassium and Zinc) produced significantly higher grain yield than the control plots. The findings of the present study revealed that leguminous crops can significantly increase the yield of succeeding crops. Thus use of Farmyard Manure, Potassium and Zinc should be included in integrated crop management approaches for sustainable agriculture. (author)

  8. Model of the fine-grain component of martian soil based on Viking lander data

    International Nuclear Information System (INIS)

    Nussinov, M.D.; Chernyak, Y.B.; Ettinger, J.L.

    1978-01-01

    A model of the fine-grain component of the Martian soil is proposed. The model is based on well-known physical phenomena, and enables an explanation of the evolution of the gases released in the GEX (gas exchange experiments) and GCMS (gas chromatography-mass spectrometer experiments) of the Viking landers. (author)

  9. DNA Self-Assembly and Computation Studied with a Coarse-grained Dynamic Bonded Model

    DEFF Research Database (Denmark)

    Svaneborg, Carsten; Fellermann, Harold; Rasmussen, Steen

    2012-01-01

    We utilize a coarse-grained directional dynamic bonding DNA model [C. Svaneborg, Comp. Phys. Comm. (In Press DOI:10.1016/j.cpc.2012.03.005)] to study DNA self-assembly and DNA computation. In our DNA model, a single nucleotide is represented by a single interaction site, and complementary sites can...

  10. Fine-Grained Energy Modeling for the Source Code of a Mobile Application

    DEFF Research Database (Denmark)

    Li, Xueliang; Gallagher, John Patrick

    2016-01-01

    The goal of an energy model for source code is to lay a foundation for the application of energy-aware programming techniques. State of the art solutions are based on source-line energy information. In this paper, we present an approach to constructing a fine-grained energy model which is able...

  11. Plant growth-promoting actinobacteria: a new strategy for enhancing sustainable production and protection of grain legumes.

    Science.gov (United States)

    Sathya, Arumugam; Vijayabharathi, Rajendran; Gopalakrishnan, Subramaniam

    2017-06-01

    Grain legumes are a cost-effective alternative for the animal protein in improving the diets of the poor in South-East Asia and Africa. Legumes, through symbiotic nitrogen fixation, meet a major part of their own N demand and partially benefit the following crops of the system by enriching soil. In realization of this sustainability advantage and to promote pulse production, United Nations had declared 2016 as the "International Year of pulses". Grain legumes are frequently subjected to both abiotic and biotic stresses resulting in severe yield losses. Global yields of legumes have been stagnant for the past five decades in spite of adopting various conventional and molecular breeding approaches. Furthermore, the increasing costs and negative effects of pesticides and fertilizers for crop production necessitate the use of biological options of crop production and protection. The use of plant growth-promoting (PGP) bacteria for improving soil and plant health has become one of the attractive strategies for developing sustainable agricultural systems due to their eco-friendliness, low production cost and minimizing consumption of non-renewable resources. This review emphasizes on how the PGP actinobacteria and their metabolites can be used effectively in enhancing the yield and controlling the pests and pathogens of grain legumes.

  12. Texture development due to preferential grain growth of Ho--Ba--Cu--O in 1.6-T magnetic field

    International Nuclear Information System (INIS)

    Holloway, A.; McCallum, R.W.; Arrasmith, S.R.

    1993-01-01

    It has been experimentally observed that the application of even a relatively weak magnetic field of 1.6-T during sintering of HoBa 2 Cu 3 O 7-δ (hereafter HoBCO) results in a significant degree of grain alignment. The orientation of grains is found to be controlled by the direction and magnitude of a magnetic field. The degree of alignment was monitored by x-ray diffraction measurements on the flat surface of the samples and by metallography. It has been observed that the degree of alignment grows as the magnitude of the field increases between 0 and 1.6 T for a fixed temperature and processing time. The degree of alignment also increases when the processing temperature changes from 930 degree C to 965 degree C for a fixed field and time. It has also been observed that for both a fixed field and processing temperature, the alignment grows when the processing time increases between 16 and 72 hours. Metallography measurements on the flat and cross-sectional parts of the samples showed that the texture propagates into the bulk of the samples. In the presence of a sufficient amount of the liquid phase, the enhancement of the grain growth in the direction favorable to the magnetic field produces rather large single-crystals (0.3 to 0.5 mm linear size) within the sample

  13. Predictive statistical modelling of cadmium content in durum wheat grain based on soil parameters.

    Science.gov (United States)

    Viala, Yoann; Laurette, Julien; Denaix, Laurence; Gourdain, Emmanuelle; Méléard, Benoit; Nguyen, Christophe; Schneider, André; Sappin-Didier, Valérie

    2017-09-01

    Regulatory limits on cadmium (Cd) content in food products are tending to become stricter, especially in cereals, which are a major contributor to dietary intake of Cd by humans. This is of particular importance for durum wheat, which accumulates more Cd than bread wheat. The contamination of durum wheat grain by Cd depends not only on the genotype but also to a large extent on soil Cd availability. Assessing the phytoavailability of Cd for durum wheat is thus crucial, and appropriate methods are required. For this purpose, we propose a statistical model to predict Cd accumulation in durum wheat grain based on soil geochemical properties related to Cd availability in French agricultural soils with low Cd contents and neutral to alkaline pH (soils commonly used to grow durum wheat). The best model is based on the concentration of total Cd in the soil solution, the pH of a soil CaCl 2 extract, the cation exchange capacity (CEC), and the content of manganese oxides (Tamm's extraction) in the soil. The model variables suggest a major influence of cadmium buffering power of the soil and of Cd speciation in solution. The model successfully explains 88% of Cd variability in grains with, generally, below 0.02 mg Cd kg -1 prediction error in wheat grain. Monte Carlo cross-validation indicated that model accuracy will suffice for the European Community project to reduce the regulatory limit from 0.2 to 0.15 mg Cd kg -1 grain, but not for the intermediate step at 0.175 mg Cd kg -1 . The model will help farmers assess the risk that the Cd content of their durum wheat grain will exceed regulatory limits, and help food safety authorities test different regulatory thresholds to find a trade-off between food safety and the negative impact a too strict regulation could have on farmers.

  14. Mathematical modeling of microbial growth in milk

    Directory of Open Access Journals (Sweden)

    Jhony Tiago Teleken

    2011-12-01

    Full Text Available A mathematical model to predict microbial growth in milk was developed and analyzed. The model consists of a system of two differential equations of first order. The equations are based on physical hypotheses of population growth. The model was applied to five different sets of data of microbial growth in dairy products selected from Combase, which is the most important database in the area with thousands of datasets from around the world, and the results showed a good fit. In addition, the model provides equations for the evaluation of the maximum specific growth rate and the duration of the lag phase which may provide useful information about microbial growth.

  15. Latent Growth and Dynamic Structural Equation Models.

    Science.gov (United States)

    Grimm, Kevin J; Ram, Nilam

    2018-05-07

    Latent growth models make up a class of methods to study within-person change-how it progresses, how it differs across individuals, what are its determinants, and what are its consequences. Latent growth methods have been applied in many domains to examine average and differential responses to interventions and treatments. In this review, we introduce the growth modeling approach to studying change by presenting different models of change and interpretations of their model parameters. We then apply these methods to examining sex differences in the development of binge drinking behavior through adolescence and into adulthood. Advances in growth modeling methods are then discussed and include inherently nonlinear growth models, derivative specification of growth models, and latent change score models to study stochastic change processes. We conclude with relevant design issues of longitudinal studies and considerations for the analysis of longitudinal data.

  16. NEAMS FPL M2 Milestone Report: Development of a UO₂ Grain Size Model using Multicale Modeling and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Tonks, Michael R [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Bai, Xianming [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-06-01

    This report summarizes development work funded by the Nuclear Energy Advanced Modeling Simulation program's Fuels Product Line (FPL) to develop a mechanistic model for the average grain size in UO₂ fuel. The model is developed using a multiscale modeling and simulation approach involving atomistic simulations, as well as mesoscale simulations using INL's MARMOT code.

  17. Numerical models for fluid-grains interactions: opportunities and limitations

    Science.gov (United States)

    Esteghamatian, Amir; Rahmani, Mona; Wachs, Anthony

    2017-06-01

    In the framework of a multi-scale approach, we develop numerical models for suspension flows. At the micro scale level, we perform particle-resolved numerical simulations using a Distributed Lagrange Multiplier/Fictitious Domain approach. At the meso scale level, we use a two-way Euler/Lagrange approach with a Gaussian filtering kernel to model fluid-solid momentum transfer. At both the micro and meso scale levels, particles are individually tracked in a Lagrangian way and all inter-particle collisions are computed by a Discrete Element/Soft-sphere method. The previous numerical models have been extended to handle particles of arbitrary shape (non-spherical, angular and even non-convex) as well as to treat heat and mass transfer. All simulation tools are fully-MPI parallel with standard domain decomposition and run on supercomputers with a satisfactory scalability on up to a few thousands of cores. The main asset of multi scale analysis is the ability to extend our comprehension of the dynamics of suspension flows based on the knowledge acquired from the high-fidelity micro scale simulations and to use that knowledge to improve the meso scale model. We illustrate how we can benefit from this strategy for a fluidized bed, where we introduce a stochastic drag force model derived from micro-scale simulations to recover the proper level of particle fluctuations. Conversely, we discuss the limitations of such modelling tools such as their limited ability to capture lubrication forces and boundary layers in highly inertial flows. We suggest ways to overcome these limitations in order to enhance further the capabilities of the numerical models.

  18. Silicon treatment to rice (oryza sativa l. cv 'gopumbyeo') plants during different growth periods and its effects on growth and grain yield

    International Nuclear Information System (INIS)

    Kim, Y.H.; Waqas, M.; Kamran, M.

    2012-01-01

    Silicon (Si) has been considered a beneficial element for plant growth. We have assessed the effects of Si application on rice (Oryza sativa L.) growth and its grain yield at field level. For this, we performed two experiments. In experiment 1, we applied Si of three different concentrations (liquid Si-10, 25 and 36%) to the seedbed of rice before transplantation into paddy field. The results of this experiment showed that Si application to rice seedbeds did not affected the rice plant height and shoot fresh weight but its application significantly increased the pushing resistance of rice plants from 12.2-16.7% as compared with water applied control plants. The lodging index of Si treated rice plants significantly decreased (13.7% on LS-25) as compared with control. Similarly, Si treated plants had significantly higher yield. Upon Si treatment (LS-36), the grain yield per 10 acre and panicles per plant were 15.1% and 6. 3% higher than the water treated control plants respectively. The best concentration (LS-36%) revealed in the first experiment was foliar applied at 10 days before heading stage, initial tilling stage and panicle initiation stage to the rice leaves and we observed that shoot biomass was not significantly different between control and Si treated plants. However, significantly higher pushing resistance (10.5%-13.8%) and plant height (12.2%-16.7%) were observed while lower lodging index (7.6-7.8%) was recorded for Si treated plants as compared to control plants. Similarly, Si application increased the number of panicles per plant as well as the grain yield per 10 acre as compared to control. In conclusion, the Si application can significantly regulate plant growth and yield if applied at proper time with feasible concentration. (author)

  19. Effect of Plant Growth Promoting Rhizobacteria (PGPR on Phenological Traits, Grain Yield and Yield Components of Three Maize (Zea mays L. Cultivars

    Directory of Open Access Journals (Sweden)

    A Soleimani Fard

    2013-11-01

    Full Text Available To evaluate the effect of bio-fertilize on yield and its components in maize cultivars, an split plot experiment based on randomized complete bock design with three replications in was conducted in Payam-noor University of Ilam, Iran, in 2009-2010. Treatments were cultivar (SC604, SC704 and SC807 assigned to main plots and bio-fertilizer (non- inoculation, inoculation with Azetobacter, Azospirillum and dual inoculation ofAzotobacterand Azospirillum to subplots. The effect of cultivar on days to maturity, plant height, dry matter, ear length, stem diameter, number of grain per ear row, 1000-grain weight, grain yield, biological yield and protein content was significant cultivar. SC 704 had the highest dry matter (259.5 g.m-2, plant height (201.1 cm, number of grain per ear row (42.8 grain, grain yield (10850 kg.m-2, and biological yield (22040 kg.m-2. The effect of plant growth promoting rhizobacteria on all traits expect harvest index was significant. Dual inoculation ofAzotobacterand Azospirillum had the longest days to ear initiation (71.2 days, days to maturity (115.4 day, number of leaves above ear (5.6 ear, dry matter (240.4 g.m-2, ear length (24.3 cm, plant height (212.4 cm, seed number of rows per ear (14.5 row, number of grains per row (44.2 grain, grain yield (10190 kg.m-2, biological yield (21320 kg.m-2 and protein content (10.7%. Interaction effect of cultivar× plant growth promoting rhizobacteria on grain yield was significant. The highest and lowest grain yield was obtained from SC 704 and application of dual inoculation ofAzotobacterand Azospirillum (12320 kg.ha-1 and lowest from SC 604 when inoculation treatments were not used 7570 kg.ha-1 respectively.

  20. MARTINI Coarse-Grained Model for Crystalline Cellulose Microfibers

    NARCIS (Netherlands)

    Lopez, Cesar A.; Bellesia, Giovanni; Redondo, Antonio; Langan, Paul; Chundawat, Shishir P. S.; Dale, Bruce E.; Marrink, Siewert J.; Gnanakaran, S.

    2015-01-01

    Commercial-scale biofuel production requires a deep understanding of the structure and dynamics of its principal target: cellulose. However, an accurate description and modeling of this carbohydrate structure at the mesoscale remains elusive, particularly because of its overwhelming length scale and

  1. Fabrication and optimization of a conducting polymer sensor array using stored grain model volatiles.

    Science.gov (United States)

    Hossain, Md Eftekhar; Rahman, G M Aminur; Freund, Michael S; Jayas, Digvir S; White, Noel D G; Shafai, Cyrus; Thomson, Douglas J

    2012-03-21

    During storage, grain can experience significant degradation in quality due to a variety of physical, chemical, and biological interactions. Most commonly, these losses are associated with insects or fungi. Continuous monitoring and an ability to differentiate between sources of spoilage are critical for rapid and effective intervention to minimize deterioration or losses. Therefore, there is a keen interest in developing a straightforward, cost-effective, and efficient method for monitoring of stored grain. Sensor arrays are currently used for classifying liquors, perfumes, and the quality of food products by mimicking the mammalian olfactory system. The use of this technology for monitoring of stored grain and identification of the source of spoilage is a new application, which has the potential for broad impact. The main focus of the work described herein is on the fabrication and optimization of a carbon black (CB) polymer sensor array to monitor stored grain model volatiles associated with insect secretions (benzene derivatives) and fungi (aliphatic hydrocarbon derivatives). Various methods of statistical analysis (RSD, PCA, LDA, t test) were used to select polymers for the array that were optimum for distinguishing between important compound classes (quinones, alcohols) and to minimize the sensitivity for other parameters such as humidity. The performance of the developed sensor array was satisfactory to demonstrate identification and separation of stored grain model volatiles at ambient conditions.

  2. Numerical modelling of intergranular fracture in polycrystalline materials and grain size effects

    Directory of Open Access Journals (Sweden)

    P. Wriggers

    2011-07-01

    Full Text Available In this paper, the phenomenon of intergranular fracture in polycrystalline materials is investigated using a nonlinear fracture mechanics approach. The nonlocal cohesive zone model (CZM for finite thickness interfaces recently proposed by the present authors is used to describe the phenomenon of grain boundary separation. From the modelling point of view, considering the dependency of the grain boundary thickness on the grain size observed in polycrystals, a distribution of interface thicknesses is obtained. Since the shape and the parameters of the nonlocal CZM depend on the interface thickness, a distribution of interface fracture energies is obtained as a consequence of the randomness of the material microstructure. Using these data, fracture mechanics simulations are performed and the homogenized stress-strain curves of 2D representative volume elements (RVEs are computed. Failure is the result of a diffuse microcrack pattern leading to a main macroscopic crack after coalescence, in good agreement with the experimental observation. Finally, testing microstructures characterized by different average grain sizes, the computed peak stresses are found to be dependent on the grain size, in agreement with the trend expected according to the Hall-Petch law.

  3. Lévy-based growth models

    DEFF Research Database (Denmark)

    Jónsdóttir, Kristjana Ýr; Schmiegel, Jürgen; Jensen, Eva Bjørn Vedel

    2008-01-01

    In the present paper, we give a condensed review, for the nonspecialist reader, of a new modelling framework for spatio-temporal processes, based on Lévy theory. We show the potential of the approach in stochastic geometry and spatial statistics by studying Lévy-based growth modelling of planar o...... objects. The growth models considered are spatio-temporal stochastic processes on the circle. As a by product, flexible new models for space–time covariance functions on the circle are provided. An application of the Lévy-based growth models to tumour growth is discussed....

  4. Grain centre mapping - 3DXRD measurements of average grain characteristics

    DEFF Research Database (Denmark)

    Oddershede, Jette; Schmidt, Søren; Lyckegaard, Allan

    2014-01-01

    characteristics of each grain (such as their centre-of-mass positions, volumes, phases, orientations and/or elastic strain tensor components), while the exact locations of the grain boundaries are unknown. In the present chapter a detailed description of the setup and software for both grain centre mapping...... and the closely related boxscan method is given. Both validation experiments and applications for in situ studies of microstructural changes during plastic deformation and crack growth are given. Finally an outlook with special emphasis on coupling the measured results with modelling is given....

  5. Coarse-grained description of cosmic structure from Szekeres models

    International Nuclear Information System (INIS)

    Sussman, Roberto A.; Gaspar, I. Delgado; Hidalgo, Juan Carlos

    2016-01-01

    We show that the full dynamical freedom of the well known Szekeres models allows for the description of elaborated 3-dimensional networks of cold dark matter structures (over-densities and/or density voids) undergoing ''pancake'' collapse. By reducing Einstein's field equations to a set of evolution equations, which themselves reduce in the linear limit to evolution equations for linear perturbations, we determine the dynamics of such structures, with the spatial comoving location of each structure uniquely specified by standard early Universe initial conditions. By means of a representative example we examine in detail the density contrast, the Hubble flow and peculiar velocities of structures that evolved, from linear initial data at the last scattering surface, to fully non-linear 10–20 Mpc scale configurations today. To motivate further research, we provide a qualitative discussion on the connection of Szekeres models with linear perturbations and the pancake collapse of the Zeldovich approximation. This type of structure modelling provides a coarse grained—but fully relativistic non-linear and non-perturbative —description of evolving large scale cosmic structures before their virialisation, and as such it has an enormous potential for applications in cosmological research

  6. Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys

    Science.gov (United States)

    Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

    2018-01-01

    Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. PMID:29677155

  7. Stochastic models for tumoral growth

    OpenAIRE

    Escudero, Carlos

    2006-01-01

    Strong experimental evidence has indicated that tumor growth belongs to the molecular beam epitaxy universality class. This type of growth is characterized by the constraint of cell proliferation to the tumor border, and surface diffusion of cells at the growing edge. Tumor growth is thus conceived as a competition for space between the tumor and the host, and cell diffusion at the tumor border is an optimal strategy adopted for minimizing the pressure and helping tumor development. Two stoch...

  8. Modelling of aflatoxin G1 reduction by kefir grain using response surface methodology.

    Science.gov (United States)

    Ansari, Farzaneh; Khodaiyan, Faramarz; Rezaei, Karamatollah; Rahmani, Anosheh

    2015-01-01

    Aflatoxin G1 (AFG1) is one of the main toxic contaminants in pistachio nuts and causes potential health hazards. Hence, AFG1 reduction is one of the main concerns in food safety. Kefir-grains contain symbiotic association of microorganisms well known for their aflatoxin decontamination effects. In this study, a central composite design (CCD) using response surface methodology (RSM) was applied to develop a model in order to predict AFG1 reduction in pistachio nuts by kefir-grain (already heated at 70 and 110°C). The independent variables were: toxin concentration (X1: 5, 10, 15, 20 and 25 ng/g), kefir-grain level (X2: 5, 10, 20, 10 and 25%), contact time (X3: 0, 2, 4, 6 and 8 h), and incubation temperature (X4: 20, 30, 40, 50 and 60°C). There was a significant reduction in AFG1 (p kefir-grain used. The variables including X1, X3 and the interactions between X2-X4 as well as X3-X4 have significant effects on AFG1 reduction. The model provided a good prediction of AFG1 reduction under the assay conditions. Optimization was used to enhance the efficiency of kefir-grain on AFG1 reduction. The optimum conditions for the highest AFG1 reduction (96.8%) were predicted by the model as follows: toxin concentration = 20 ng/g, kefir-grain level = 10%, contact time = 6 h, and incubation temperature = 30°C which validated practically in six replications.

  9. Performance of process-based models for simulation of grain N in crop rotations across Europe

    Czech Academy of Sciences Publication Activity Database

    Xiaogang, Y.; Kesebaum, K. C.; Kollas, C.; Manevski, K.; Baby, S.; Beaudoin, N.; Öztürk, I.; Gaiser, T.; Wu, L.; Hoffmann, M.; Charfeddine, M.; Conradt, T.; Constantin, J.; Ewert, F.; de Cortazar-Atauri, I. G.; Giglio, L.; Hlavinka, Petr; Hoffmann, H.; Launay, M.; Louarn, G.; Manderscheid, R.; Mary, B.; Mirschel, W.; Nendel, C.; Pacholski, A.; Palouso, T.; Ripoche-Wachter, D.; Rötter, R. P.; Ruget, F.; Sharif, B.; Trnka, Miroslav; Ventrella, D.; Weigel, H-J.; Olesen, J. E.

    2017-01-01

    Roč. 154, JUN (2017), s. 63-77 ISSN 0308-521X R&D Projects: GA MŠk(CZ) LO1415; GA MZe QJ1310123 Institutional support: RVO:67179843 Keywords : Calibration * Crop model * Crop rotation * Grain N content * Model evaluation * Model initialization Subject RIV: EH - Ecology, Behaviour OBOR OECD: Environmental sciences (social aspects to be 5.7) Impact factor: 2.571, year: 2016

  10. Mechanistic model for microbial growth on hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Mallee, F M; Blanch, H W

    1977-12-01

    Based on available information describing the transport and consumption of insoluble alkanes, a mechanistic model is proposed for microbial growth on hydrocarbons. The model describes the atypical growth kinetics observed, and has implications in the design of large scale equipment for single cell protein (SCP) manufacture from hydrocarbons. The model presents a framework for comparison of the previously published experimental kinetic data.

  11. INFRARED SPECTROSCOPIC SURVEY OF THE QUIESCENT MEDIUM OF NEARBY CLOUDS. I. ICE FORMATION AND GRAIN GROWTH IN LUPUS

    Energy Technology Data Exchange (ETDEWEB)

    Boogert, A. C. A. [IPAC, NASA Herschel Science Center, Mail Code 100-22, California Institute of Technology, Pasadena, CA 91125 (United States); Chiar, J. E. [SETI Institute, Carl Sagan Center, 189 Bernardo Avenue, Mountain View, CA 94043 (United States); Knez, C.; Mundy, L. G. [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Öberg, K. I. [Departments of Chemistry and Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Pendleton, Y. J. [Solar System Exploration Research Virtual Institute, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Tielens, A. G. G. M.; Van Dishoeck, E. F., E-mail: aboogert@ipac.caltech.edu [Leiden Observatory, Leiden University, P.O. Box 9513, 2300 RA Leiden (Netherlands)

    2013-11-01

    Infrared photometry and spectroscopy (1-25 μm) of background stars reddened by the Lupus molecular cloud complex are used to determine the properties of grains and the composition of ices before they are incorporated into circumstellar envelopes and disks. H{sub 2}O ices form at extinctions of A{sub K} = 0.25 ± 0.07 mag (A{sub V} = 2.1 ± 0.6). Such a low ice formation threshold is consistent with the absence of nearby hot stars. Overall, the Lupus clouds are in an early chemical phase. The abundance of H{sub 2}O ice (2.3 ± 0.1 × 10{sup –5} relative to N{sub H}) is typical for quiescent regions, but lower by a factor of three to four compared to dense envelopes of young stellar objects. The low solid CH{sub 3}OH abundance (<3%-8% relative to H{sub 2}O) indicates a low gas phase H/CO ratio, which is consistent with the observed incomplete CO freeze out. Furthermore it is found that the grains in Lupus experienced growth by coagulation. The mid-infrared (>5 μm) continuum extinction relative to A{sub K} increases as a function of A{sub K}. Most Lupus lines of sight are well fitted with empirically derived extinction curves corresponding to R{sub V} ∼ 3.5 (A{sub K} = 0.71) and R{sub V} ∼ 5.0 (A{sub K} = 1.47). For lines of sight with A{sub K} > 1.0 mag, the τ{sub 9.7}/A{sub K} ratio is a factor of two lower compared to the diffuse medium. Below 1.0 mag, values scatter between the dense and diffuse medium ratios. The absence of a gradual transition between diffuse and dense medium-type dust indicates that local conditions matter in the process that sets the τ{sub 9.7}/A{sub K} ratio. This process is likely related to grain growth by coagulation, as traced by the A{sub 7.4}/A{sub K} continuum extinction ratio, but not to ice mantle formation. Conversely, grains acquire ice mantles before the process of coagulation starts.

  12. INFRARED SPECTROSCOPIC SURVEY OF THE QUIESCENT MEDIUM OF NEARBY CLOUDS. I. ICE FORMATION AND GRAIN GROWTH IN LUPUS

    International Nuclear Information System (INIS)

    Boogert, A. C. A.; Chiar, J. E.; Knez, C.; Mundy, L. G.; Öberg, K. I.; Pendleton, Y. J.; Tielens, A. G. G. M.; Van Dishoeck, E. F.

    2013-01-01

    Infrared photometry and spectroscopy (1-25 μm) of background stars reddened by the Lupus molecular cloud complex are used to determine the properties of grains and the composition of ices before they are incorporated into circumstellar envelopes and disks. H 2 O ices form at extinctions of A K = 0.25 ± 0.07 mag (A V = 2.1 ± 0.6). Such a low ice formation threshold is consistent with the absence of nearby hot stars. Overall, the Lupus clouds are in an early chemical phase. The abundance of H 2 O ice (2.3 ± 0.1 × 10 –5 relative to N H ) is typical for quiescent regions, but lower by a factor of three to four compared to dense envelopes of young stellar objects. The low solid CH 3 OH abundance ( 2 O) indicates a low gas phase H/CO ratio, which is consistent with the observed incomplete CO freeze out. Furthermore it is found that the grains in Lupus experienced growth by coagulation. The mid-infrared (>5 μm) continuum extinction relative to A K increases as a function of A K . Most Lupus lines of sight are well fitted with empirically derived extinction curves corresponding to R V ∼ 3.5 (A K = 0.71) and R V ∼ 5.0 (A K = 1.47). For lines of sight with A K > 1.0 mag, the τ 9.7 /A K ratio is a factor of two lower compared to the diffuse medium. Below 1.0 mag, values scatter between the dense and diffuse medium ratios. The absence of a gradual transition between diffuse and dense medium-type dust indicates that local conditions matter in the process that sets the τ 9.7 /A K ratio. This process is likely related to grain growth by coagulation, as traced by the A 7.4 /A K continuum extinction ratio, but not to ice mantle formation. Conversely, grains acquire ice mantles before the process of coagulation starts

  13. Grain Size and Parameter Recovery with TIMSS and the General Diagnostic Model

    Science.gov (United States)

    Skaggs, Gary; Wilkins, Jesse L. M.; Hein, Serge F.

    2016-01-01

    The purpose of this study was to explore the degree of grain size of the attributes and the sample sizes that can support accurate parameter recovery with the General Diagnostic Model (GDM) for a large-scale international assessment. In this resampling study, bootstrap samples were obtained from the 2003 Grade 8 TIMSS in Mathematics at varying…

  14. Compressive capacity perpendicular to grain of fully supported timber beams of Poplar - model comparison

    NARCIS (Netherlands)

    Leijten, A.J.M.; Haddad, Y.M.

    2015-01-01

    In timber frame structures, for both residential and multi-storey purposes, timber elements are loaded perpendicular to grain. In the past, structural design code calculations were based on pre-set permissible strength values, applying empirical models with obscure background. Modern ultimate limit

  15. Crystallographic study of grain refinement in aluminum alloys using the edge-to-edge matching model

    International Nuclear Information System (INIS)

    Zhang, M.-X.; Kelly, P.M.; Easton, M.A.; Taylor, J.A.

    2005-01-01

    The edge-to-edge matching model for describing the interfacial crystallographic characteristics between two phases that are related by reproducible orientation relationships has been applied to the typical grain refiners in aluminum alloys. Excellent atomic matching between Al 3 Ti nucleating substrates, known to be effective nucleation sites for primary Al, and the Al matrix in both close packed directions and close packed planes containing these directions have been identified. The crystallographic features of the grain refiner and the Al matrix are very consistent with the edge-to-edge matching model. For three other typical grain refiners for Al alloys, TiC (when a = 0.4328 nm), TiB 2 and AlB 2 , the matching only occurs between the close packed directions in both phases and between the second close packed plane of the Al matrix and the second close packed plane of the refiners. According to the model, it is predicted that Al 3 Ti is a more powerful nucleating substrate for Al alloy than TiC, TiB 2 and AlB 2 . This agrees with the previous experimental results. The present work shows that the edge-to-edge matching model has the potential to be a powerful tool in discovering new and more powerful grain refiners for Al alloys

  16. Anisotropy model for modern grain oriented electrical steel based on orientation distribution function

    Directory of Open Access Journals (Sweden)

    Fan Jiang

    2018-05-01

    Full Text Available Accurately modeling the anisotropic behavior of electrical steel is mandatory in order to perform good end simulations. Several approaches can be found in the literature for that purpose but the more often those methods are not able to deal with grain oriented electrical steel. In this paper, a method based on orientation distribution function is applied to modern grain oriented laminations. In particular, two solutions are proposed in order to increase the results accuracy. The first one consists in increasing the decomposition number of the cosine series on which the method is based. The second one consists in modifying the determination method of the terms belonging to this cosine series.

  17. Dynamics in coarse-grained models for oligomer-grafted silica nanoparticles

    KAUST Repository

    Hong, Bingbing

    2012-01-01

    Coarse-grained models of poly(ethylene oxide) oligomer-grafted nanoparticles are established by matching their structural distribution functions to atomistic simulation data. Coarse-grained force fields for bulk oligomer chains show excellent transferability with respect to chain lengths and temperature, but structure and dynamics of grafted nanoparticle systems exhibit a strong dependence on the core-core interactions. This leads to poor transferability of the core potential to conditions different from the state point at which the potential was optimized. Remarkably, coarse graining of grafted nanoparticles can either accelerate or slowdown the core motions, depending on the length of the grafted chains. This stands in sharp contrast to linear polymer systems, for which coarse graining always accelerates the dynamics. Diffusivity data suggest that the grafting topology is one cause of slower motions of the cores for short-chain oligomer-grafted nanoparticles; an estimation based on transition-state theory shows the coarse-grained core-core potential also has a slowing-down effect on the nanoparticle organic hybrid materials motions; both effects diminish as grafted chains become longer. © 2012 American Institute of Physics.

  18. Testing mechanistic models of growth in insects.

    Science.gov (United States)

    Maino, James L; Kearney, Michael R

    2015-11-22

    Insects are typified by their small size, large numbers, impressive reproductive output and rapid growth. However, insect growth is not simply rapid; rather, insects follow a qualitatively distinct trajectory to many other animals. Here we present a mechanistic growth model for insects and show that increasing specific assimilation during the growth phase can explain the near-exponential growth trajectory of insects. The presented model is tested against growth data on 50 insects, and compared against other mechanistic growth models. Unlike the other mechanistic models, our growth model predicts energy reserves per biomass to increase with age, which implies a higher production efficiency and energy density of biomass in later instars. These predictions are tested against data compiled from the literature whereby it is confirmed that insects increase their production efficiency (by 24 percentage points) and energy density (by 4 J mg(-1)) between hatching and the attainment of full size. The model suggests that insects achieve greater production efficiencies and enhanced growth rates by increasing specific assimilation and increasing energy reserves per biomass, which are less costly to maintain than structural biomass. Our findings illustrate how the explanatory and predictive power of mechanistic growth models comes from their grounding in underlying biological processes. © 2015 The Author(s).

  19. Technological barriers to the growth of the export potential of Russian grain industry

    Directory of Open Access Journals (Sweden)

    O. A. Eremchenko

    2017-01-01

    Full Text Available Russia is the world's largest wheat exporter. The sales volume on foreign markets in 2015 amounted to $3.9 billion, or 10.1% of global exports. By the end of 2015, the volume of exports of agricultural products exceeded revenues from sales of arms in foreign markets. However, in dollar terms, wheat exports correspond to only a fifth place in the world. The article analyzes the reasons for a significant gap in the volume of exports and revenue, barriers to the development of export of agricultural deep processed products. The assumption is made that the development of technologies for deep processing of grain crops will increase the share of exports of Russian products with high added value.

  20. Investigation of fatigue crack growth rate of Al 5484 ultrafine grained alloy after ECAP process

    Energy Technology Data Exchange (ETDEWEB)

    Brynk, Tomasz; Rasinski, Marcin; Pakiela, Zbigniew; Kurzydlowski, Krzysztof J. [Faculty of Materials Science and Engineering, Warsaw University of Technology (Poland); Olejnik, Lech [Faculty of Production Engineering, Warsaw University of Technology (Poland)

    2010-05-15

    During the last decade equal-channel angular pressing (ECAP) has emerged as a widely used fabrication route of ultrafine-grained (UFG) metals and alloys. Enhanced mechanical properties of UFG materials produced by severe plastic deformation, with a grain size smaller than 1 {mu}m, have been reported in a large number of publications. However, the higher strength does not imply higher resistance to fatigue both high- and low-cyclic. In fact, due to reduced plasticity, higher fatigue crack propagation rates are reported for UFG materials, particularly in low-amplitude range. The aim of this work was to investigate fatigue crack propagation in samples of Al 5483 alloy subjected to ECAP treatment. Because of small dimensions of the coupons processed by ECAP, non-standard, mini-samples were used in a crack propagation tests. Two test procedures were used to estimate stress intensity factor (K). The first was based on optical measurements of crack length from images recorded during the test. The second method was based on digital image correlation (DIC), which was used to determine K value directly from displacement field near the crack tip. Comparison of these two methods is made and the relationship between the intensity of ECAP process (measured in terms of the number of ECAP passes) and fatigue crack propagation rates proposed. In addition to fatigue resistance, the results of tensile tests carried out with mini-samples are presented. Applicability of such samples in the investigations of the mechanical properties of UFG materials is discussed. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  1. Trajectories and models of individual growth

    Directory of Open Access Journals (Sweden)

    Arseniy Karkach

    2006-11-01

    Full Text Available It has long been recognized that the patterns of growth play an important role in the evolution of age trajectories of fertility and mortality (Williams, 1957. Life history studies would benefit from a better understanding of strategies and mechanisms of growth, but still no comparative research on individual growth strategies has been conducted. Growth patterns and methods have been shaped by evolution and a great variety of them are observed. Two distinct patterns - determinate and indeterminate growth - are of a special interest for these studies since they present qualitatively different outcomes of evolution. We attempt to draw together studies covering growth in plant and animal species across a wide range of phyla focusing primarily on the noted qualitative features. We also review mathematical descriptions of growth, namely empirical growth curves and growth models, and discuss the directions of future research.

  2. Grain growth effects on magnetic properties of Ni0.6Zn0.4Fe2O4 material prepared using mechanically alloyed nanoparticles

    Science.gov (United States)

    Syazwan, M. M.; Hapishah, A. N.; Azis, R. S.; Abbas, Z.; Hamidon, M. N.

    2018-06-01

    The effect of grain growth via sintering temperature on some magnetic properties is reported in this research. Ni0.6Zn0.4Fe2O4 nanoparticles were mechanically alloyed for 6 h and the sintering process starting from 600 to 1200 °C with 25 °C increment with only one sample subjected to all sintering scheme. The resulting change in the material was observed after each sintering. Single phase has been formed at 600 °C and above and the intensity peaks increased with sintering temperature as well as crystallinity increment. The morphological studies showed grain size increment as the sintering temperature increased. Moreover, the density increased while the porosity decreased with increasing sintering temperature. The saturation induction, Bs increased with the increased of grain size. On the other hand, the coercivity-vs-grain size plot reveals the critical single-domain-to-multidomain grain size to be about ∼400 nm. The initial permeability, μi value was increased with grain size enhancement. The microstructural grain growth, as exposed for the first time by this research, is shown as a process of multiple activation energy barriers.

  3. Effect of sintering condition on the grain growth of Cr{sub 2}O{sub 3} doped UO{sub 2} pellets

    Energy Technology Data Exchange (ETDEWEB)

    Oh, Jang Soo; Kim, Keon Sik; Kim, Dong Joo; Kim, Jong Hun; Yang, Jae Ho [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    In this paper, Cr{sub 2}O{sub 3} doped UO{sub 2} pellets were fabricated by two-step sintering process. The grain growth of pellet is related to dwell time in a hydrogen atmosphere during sintering process. A large grain pellet can minimize fission gas release and deform easily at an elevated temperature. So, the recent development of nuclear fuel pellet materials is mainly focused on the large grain pellets. The various methods of fabrication processes for large grain UO{sub 2} pellets have been investigated extensively. Those parameters include the additives, sintering temperature, sintering time, sintering atmosphere, and so on. Cr-doped UO{sub 2} pellet is one of the promising candidates for PCI remedy. It was shown that the grain size and softness of UO{sub 2} pellets could be enhanced by doping Cr or Cr compound in UO{sub 2}. Various in-pile test results revealed that the PCI properties were enhanced considerably [4]. In the sintering process of Cr-doped UO{sub 2} pellet, it was known that tight adjusting of sintering atmosphere is most important to achieve large grain pellet. The relevant research revealed that the doped Cr{sub 2}O{sub 3} became liquid phase in optimized oxygen potential and that liquid phase promoted the grain growth. Recently, KAERI has shown that grain size of Cr-doped UO{sub 2} pellet could be more enlarged by adjusting process parameters. In this paper, we introduced a sintering process which can form a liquid phase for a large grain growth in Cr{sub 2}O{sub 3} doped UO{sub 2} pellet. The study on the effect of dwell time in H{sub 2} atmosphere during sintering process on the grain structure of sintered pellet is also a part of this work. In order to obtain large grain in pellet, it is important to increase amount of Cr that can form a liquid phase for grain growth by increasing dwell time in a hydrogen atmosphere during sintering process.

  4. Grain growth behavior of Cr dispersed UO{sub 2} pellets according to change of oxygen potential during the isothermal sintering

    Energy Technology Data Exchange (ETDEWEB)

    Oh, Jang Soo; Yang, Jae Ho; Kim, Dong Joo; Kim, Jong Hun; Nam, Ik Hui; Rhee, Young Woo; Kim, Keon Sik [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2012-10-15

    Recent development of advanced UO{sub 2} pellet materials for commercial reactors is mainly focused on the large grain pellet which can deform easily at an elevated temperature. Cr{sub 2}O{sub 3}-doped UO{sub 2} pellet is one of the promising candidates. To increase the grain size effectively, it is important to control the additive content and sintering atmosphere. Relevant research on the Cr{sub 2}O{sub 3} doped UO{sub 2} system revealed that the doped Cr{sub 2}O{sub 3} formed a liquid phase under optimized oxygen potential, and those liquid phases promoted the grain growth. Recent work also showed that step-wise variation of sintering atmosphere during the isothermal annealing step significantly increased the grain size of Cr{sub 2}O{sub 3} doped UO{sub 2} pellet. In this paper, we investigated effect of oxygen potential change at the beginning of isothermal sintering stage on the grain growth in metallic Cr dispersed UO{sub 2} pellets. The study on the milling effect of powder mixture on the grain growth is also a part of this work.

  5. An evaluation on fatigue crack growth in a fine-grained isotropic graphite

    Energy Technology Data Exchange (ETDEWEB)

    Wang Hongtao; Sun Libin [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Li Chenfeng [College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP (United Kingdom); Shi Li [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Wang Haitao, E-mail: wanght@tsinghua.edu.cn [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer The propagation of micro- and macro-fatigue cracks in IG-11 graphite was studied. Black-Right-Pointing-Pointer The curves of the fatigue crack growth rate versus the SIF range show three stages. Black-Right-Pointing-Pointer The fatigue microcrack propagation is very sensitive to graphite's microstructures. Black-Right-Pointing-Pointer Graphite's microstructures have no significant impact on fatigue macrocrack growth. Black-Right-Pointing-Pointer The fatigue fracture surface indicates the fracture mechanism of the IG-11 graphite. - Abstract: The aim of this paper is to investigate the mechanism of fatigue crack propagation in IG-11 graphite, and determine the crack growth rate in relation to the stress level. Experimental studies were performed at both micro and macro scales. For fatigue microcrack propagation, single-edge-notch specimens were chosen for testing and the fatigue crack growth was measured in situ with a scanning electron microscope. For fatigue macrocrack propagation, CT specimens were used and the fatigue crack growth was measured with a high-accuracy optic microscope. Combining the two groups of experimental results, the following conclusions are derived: (1) The heterogeneous microstructures of the graphite material have significant impact on the fatigue microcrack growth, while their influence on fatigue macrocrack growth is very limited. (2) The relationship between the fatigue crack growth rate and the crack-tip stress intensity factor range can be expressed in the form of Paris formulae, which contains three stages: an initial rising part with a small slope, an abrupt rise with a very large acceleration, and a short final part with a small slope. (3) The fatigue fracture surface of the graphite material contains considerable sliding of leaf-shape graphite flakes combined with small cotton-shape plastic deformations. These sliding traces are approximately aligned at 45 Degree-Sign , showing the

  6. An evaluation on fatigue crack growth in a fine-grained isotropic graphite

    International Nuclear Information System (INIS)

    Wang Hongtao; Sun Libin; Li Chenfeng; Shi Li; Wang Haitao

    2012-01-01

    Highlights: ► The propagation of micro- and macro-fatigue cracks in IG-11 graphite was studied. ► The curves of the fatigue crack growth rate versus the SIF range show three stages. ► The fatigue microcrack propagation is very sensitive to graphite's microstructures. ► Graphite's microstructures have no significant impact on fatigue macrocrack growth. ► The fatigue fracture surface indicates the fracture mechanism of the IG-11 graphite. - Abstract: The aim of this paper is to investigate the mechanism of fatigue crack propagation in IG-11 graphite, and determine the crack growth rate in relation to the stress level. Experimental studies were performed at both micro and macro scales. For fatigue microcrack propagation, single-edge-notch specimens were chosen for testing and the fatigue crack growth was measured in situ with a scanning electron microscope. For fatigue macrocrack propagation, CT specimens were used and the fatigue crack growth was measured with a high-accuracy optic microscope. Combining the two groups of experimental results, the following conclusions are derived: (1) The heterogeneous microstructures of the graphite material have significant impact on the fatigue microcrack growth, while their influence on fatigue macrocrack growth is very limited. (2) The relationship between the fatigue crack growth rate and the crack-tip stress intensity factor range can be expressed in the form of Paris formulae, which contains three stages: an initial rising part with a small slope, an abrupt rise with a very large acceleration, and a short final part with a small slope. (3) The fatigue fracture surface of the graphite material contains considerable sliding of leaf-shape graphite flakes combined with small cotton-shape plastic deformations. These sliding traces are approximately aligned at 45°, showing the main cause of the fatigue fracture is the shear stress. There are also a large amount of secondary cracks inside unit cells and on cell walls

  7. Responses of Rapid Viscoanalyzer Profile and Other Rice Grain Qualities to Exogenously Applied Plant Growth Regulators under High Day and High Night Temperatures.

    Directory of Open Access Journals (Sweden)

    Shah Fahad

    Full Text Available High-temperature stress degrades the grain quality of rice; nevertheless, the exogenous application of plant growth regulators (PGRs might alleviate the negative effects of high temperatures. In the present study, we investigated the responses of rice grain quality to exogenously applied PGRs under high day temperatures (HDT and high night temperatures (HNT under controlled conditions. Four different combinations of ascorbic acid (Vc, alpha-tocopherol (Ve, brassinosteroids (Br, methyl jasmonates (MeJA and triazoles (Tr were exogenously applied to two rice cultivars (IR-64 and Huanghuazhan prior to the high-temperature treatment. A Nothing applied Control (NAC was included for comparison. The results demonstrated that high-temperature stress was detrimental for grain appearance and milling qualities and that both HDT and HNT reduced the grain length, grain width, grain area, head rice percentage and milled rice percentage but increased the chalkiness percentage and percent area of endosperm chalkiness in both cultivars compared with ambient temperature (AT. Significantly higher grain breakdown, set back, consistence viscosity and gelatinization temperature, and significantly lower peak, trough and final viscosities were observed under high-temperature stress compared with AT. Thus, HNT was more devastating for grain quality than HDT. The exogenous application of PGRs ameliorated the adverse effects of high temperature in both rice cultivars, and Vc+Ve+MejA+Br was the best combination for both cultivars under high temperature stress.

  8. Food Prices and Climate Extremes: A Model of Global Grain Price Variability with Storage

    Science.gov (United States)

    Otto, C.; Schewe, J.; Frieler, K.

    2015-12-01

    Extreme climate events such as droughts, floods, or heat waves affect agricultural production in major cropping regions and therefore impact the world market prices of staple crops. In the last decade, crop prices exhibited two very prominent price peaks in 2007-2008 and 2010-2011, threatening food security especially for poorer countries that are net importers of grain. There is evidence that these spikes in grain prices were at least partly triggered by actual supply shortages and the expectation of bad harvests. However, the response of the market to supply shocks is nonlinear and depends on complex and interlinked processes such as warehousing, speculation, and trade policies. Quantifying the contributions of such different factors to short-term price variability remains difficult, not least because many existing models ignore the role of storage which becomes important on short timescales. This in turn impedes the assessment of future climate change impacts on food prices. Here, we present a simple model of annual world grain prices that integrates grain stocks into the supply and demand functions. This firstly allows us to model explicitly the effect of storage strategies on world market price, and thus, for the first time, to quantify the potential contribution of trade policies to price variability in a simple global framework. Driven only by reported production and by long--term demand trends of the past ca. 40 years, the model reproduces observed variations in both the global storage volume and price of wheat. We demonstrate how recent price peaks can be reproduced by accounting for documented changes in storage strategies and trade policies, contrasting and complementing previous explanations based on different mechanisms such as speculation. Secondly, we show how the integration of storage allows long-term projections of grain price variability under climate change, based on existing crop yield scenarios.

  9. Moving beyond Watson-Crick models of coarse grained DNA dynamics.

    Science.gov (United States)

    Linak, Margaret C; Tourdot, Richard; Dorfman, Kevin D

    2011-11-28

    DNA produces a wide range of structures in addition to the canonical B-form of double-stranded DNA. Some of these structures are stabilized by Hoogsteen bonds. We developed an experimentally parameterized, coarse-grained model that incorporates such bonds. The model reproduces many of the microscopic features of double-stranded DNA and captures the experimental melting curves for a number of short DNA hairpins, even when the open state forms complicated secondary structures. We demonstrate the utility of the model by simulating the folding of a thrombin aptamer, which contains G-quartets, and strand invasion during triplex formation. Our results highlight the importance of including Hoogsteen bonding in coarse-grained models of DNA.

  10. The γ-ε martensitic transformation: a model for stress induced variant and its interaction with grain boundary

    International Nuclear Information System (INIS)

    Guenin, G.

    1995-01-01

    The γ (f.c.c.) to ε (h.c.p.) martensitic transformation occurs through the Shockley a/6 left angle 211 right angle faulting every second {111} plane of the f.c.c. structure. A stress induced thin single variant corresponds to a single a/6 left angle 211 right angle faulting vector and leads to a large homogeneous shear (0.35) in amplitude. The tip of such a plate is composed of a set of identical Shockley partial dislocations with large mutual interactions. This work is a presentation of a model which describes the martensite morphology of stress induced ε martensite in shape memory Fe-Mn-Si based alloys. The model includes the formation mechanism of the plate (Seeger's like) and its growth inside a limited grain. The mutual interaction of Shockley dislocations and their interaction with the grain boundary is semi quantitatively described; it leads to a lenticular shape of ε martensite thin plates. The model is able to explain the behaviour of this kind of alloys concerning the superelastic effect and the shape memory. (orig.)

  11. Effects of Sb-doping on the grain growth of Cu(In, Ga)Se2 thin films fabricated by means of single-target sputtering

    International Nuclear Information System (INIS)

    Zhang, Shu; Wu, Lu; Yue, Ruoyu; Yan, Zongkai; Zhan, Haoran; Xiang, Yong

    2013-01-01

    To investigate the effects of Sb doping on the kinetics of grain growth in Cu(In,Ga)Se 2 (CIGS) thin films during annealing, CIGS thin films were sputtered onto Mo coated substrates from a single CIGS alloy target, followed by chemical bath deposition of Sb 2 S 3 thin layers on top of CIGS layers and subsequent annealing at different temperatures for 30 min in Se vapors. X-ray diffraction results showed that CIGS thin films were obtained directly using the single-target sputtering method. After annealing, the In/Ga ratio in Sb-doped CIGS thin films remained stable compared to undoped film, possibly because Sb can promote the incorporation of Ga into CIGS. The grain growth in CIGS thin films was enhanced after Sb doping, exhibiting significantly larger grains after annealing at 400 °C or 450 °C compared to films without Sb. In particular, the effect was strikingly significant in grain growth across the film thickness, resulting in columnar grain structure in Sb-doped films. This grain growth improvement may be led by the diffusion of Sb from the front surface to the CIGS-Mo back interface, which promoted the mass transport process in CIGS thin films. - Highlights: ► Cu(In,Ga)Se 2 (CIGS) thin films made by sputtering from a single CIGS target. ► Chemical bath deposition used to introduce antimony into CIGS absorber layers. ► In/Ga ratio decreases in Sb-doped annealed films, comparatively to undoped films. ► Sb-doped CIGS films are superior to undoped films in terms of grain-growth kinetics

  12. Nonconvex Model of Material Growth: Mathematical Theory

    Science.gov (United States)

    Ganghoffer, J. F.; Plotnikov, P. I.; Sokolowski, J.

    2018-06-01

    The model of volumetric material growth is introduced in the framework of finite elasticity. The new results obtained for the model are presented with complete proofs. The state variables include the deformations, temperature and the growth factor matrix function. The existence of global in time solutions for the quasistatic deformations boundary value problem coupled with the energy balance and the evolution of the growth factor is shown. The mathematical results can be applied to a wide class of growth models in mechanics and biology.

  13. GRAPH MODELING OF THE GRAIN PROCESSING ENTERPRISE FOR SECONDARY EXPLOSION ESTIMATIONS

    Directory of Open Access Journals (Sweden)

    A. S. Popov

    2016-08-01

    Full Text Available Mathematical model for the possible development of the primary explosion at the grain processing enterprise is created. It is proved that only instability is possible for the combustion process. This model enables to estimate possibility of the secondary explosion at any object of the enterprise and forms the base for mathematical support of the decision support system for explosion-proof. Such decision support system can be included in the control system of the processing enterprise.

  14. Pollution externalities in a Schumpeterian growth model

    OpenAIRE

    Koesler, Simon

    2010-01-01

    This paper extends a standard Schumpeterian growth model to include an environmental dimension. Thereby, it explicitly links the pollution intensity of economic activity to technological progress. In a second step, it investigates the effect of pollution on economic growth under the assumption that pollution intensities are related to technological progress. Several conclusions emerge from the model. In equilibrium, the economy follows a balanced growth path. The effect of pollution on the ec...

  15. Movement and Orientation Decision Modeling of Rhyzopertha dominica (Coleoptera: Bostrichidae) in the Grain Mass.

    Science.gov (United States)

    Cordeiro, Erick M G; Campbell, James F; Phillips, Thomas W

    2016-04-01

    Grain stored in bins is initially a relatively homogenous resource patch for stored-product insects, but over time, spatial pattern in insect distribution can form, due in part to insect movement patterns. However, the factors that influence stored-product insect movement patterns in grain are not well-understood. This research focused on the movement of the lesser grain borer, Rhyzopertha dominica (F.), within a simulated wheat grain mass (vertical monolayer of wheat) and the identification of factors that contribute to overall and upward movement (age since adult emergence from an infested kernel [1, 7, and 14 d], sex, strain, and different levels of environment quality). We also used the model selection approach to select the most relevant factors and determine the relationships among them. Three-week-old adults tended to stay closer to the surface compared with 1- or 2-wk-old insects. Also, females tended to be more active and to explore a larger area compared with males. Explored area and daily displacement were also significantly strain-dependent, and increasing grain infestation level decreased daily displacement and explored area. Variation in movement pattern is likely to influence the formation of spatial pattern and affect probability to disperse. Understanding movement behavior within a grain bin is crucial to designing better strategies to implement and interpret monitoring programs and to target control tactics. Published by Oxford University Press on behalf of Entomological Society of America 2016. This work is written by US Government employees and is in the public domain in the US.

  16. Adsorption of metal atoms at a buckled graphene grain boundary using model potentials

    International Nuclear Information System (INIS)

    Helgee, Edit E.; Isacsson, Andreas

    2016-01-01

    Two model potentials have been evaluated with regard to their ability to model adsorption of single metal atoms on a buckled graphene grain boundary. One of the potentials is a Lennard-Jones potential parametrized for gold and carbon, while the other is a bond-order potential parametrized for the interaction between carbon and platinum. Metals are expected to adsorb more strongly to grain boundaries than to pristine graphene due to their enhanced adsorption at point defects resembling those that constitute the grain boundary. Of the two potentials considered here, only the bond-order potential reproduces this behavior and predicts the energy of the adsorbate to be about 0.8 eV lower at the grain boundary than on pristine graphene. The Lennard-Jones potential predicts no significant difference in energy between adsorbates at the boundary and on pristine graphene. These results indicate that the Lennard-Jones potential is not suitable for studies of metal adsorption on defects in graphene, and that bond-order potentials are preferable

  17. On the representability problem and the physical meaning of coarse-grained models

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, Jacob W.; Dama, James F.; Durumeric, Aleksander E. P.; Voth, Gregory A., E-mail: gavoth@uchicago.edu [Department of Chemistry, James Franck Institute, Institute for Biophysical Dynamics, and Computation Institute, The University of Chicago, Chicago, Illinois 60637 (United States)

    2016-07-28

    In coarse-grained (CG) models where certain fine-grained (FG, i.e., atomistic resolution) observables are not directly represented, one can nonetheless identify indirect the CG observables that capture the FG observable’s dependence on CG coordinates. Often, in these cases it appears that a CG observable can be defined by analogy to an all-atom or FG observable, but the similarity is misleading and significantly undermines the interpretation of both bottom-up and top-down CG models. Such problems emerge especially clearly in the framework of the systematic bottom-up CG modeling, where a direct and transparent correspondence between FG and CG variables establishes precise conditions for consistency between CG observables and underlying FG models. Here we present and investigate these representability challenges and illustrate them via the bottom-up conceptual framework for several simple analytically tractable polymer models. The examples provide special focus on the observables of configurational internal energy, entropy, and pressure, which have been at the root of controversy in the CG literature, as well as discuss observables that would seem to be entirely missing in the CG representation but can nonetheless be correlated with CG behavior. Though we investigate these problems in the framework of systematic coarse-graining, the lessons apply to top-down CG modeling also, with crucial implications for simulation at constant pressure and surface tension and for the interpretations of structural and thermodynamic correlations for comparison to experiment.

  18. Surfactant-assisted growth of anodic nanoporous niobium oxide with a grained surface

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Jeong Eun [Department of Chemical Engineering, Inha University, 253 Yonghyun Dong, Nam-Gu, Incheon 402-751 (Korea, Republic of); Choi, Jinsub, E-mail: jinsub@inha.ac.k [Department of Chemical Engineering, Inha University, 253 Yonghyun Dong, Nam-Gu, Incheon 402-751 (Korea, Republic of)

    2010-07-15

    Nanoporous niobium oxide film with a maximum thickness of 520 nm was prepared by anodizing niobium in a mixture of 1 wt% HF, 1 M H{sub 3}PO{sub 4}, and a small amount of Sodium Dodecyl Sulfate (SDS) surfactant. The porosity of the anodic niobium oxide prepared without SDS is irregular with the surface of the oxide suggesting a grained surface pattern rather than an ordered porous structure. A proper amount of SDS addition can prepare a pore arrangement with stripe patterns. The pore depth and surface pattern were strongly affected by the concentration of SDS and bath temperature. We found that the addition of SDS surfactant facilitated improvement in the chemical resistance of niobium oxide, leading to the formation of pores with a longer length compared to those prepared without a SDS surfactant. This can be in part ascribed to the protection of the surface by the physical adsorption of SDS on the surface due to a charge-charge interaction and be in part attributed to the formation of Nb=O bonding on the outermost oxide layer by SDS. When anodization was carried out for 4 h, the surface dissolution of niobium oxide was observed, which means that the maximum tolerance time against chemical dissolution was less than 4 h.

  19. Adaptive resolution simulation of polarizable supramolecular coarse-grained water models

    International Nuclear Information System (INIS)

    Zavadlav, Julija; Praprotnik, Matej; Melo, Manuel N.; Marrink, Siewert J.

    2015-01-01

    Multiscale simulations methods, such as adaptive resolution scheme, are becoming increasingly popular due to their significant computational advantages with respect to conventional atomistic simulations. For these kind of simulations, it is essential to develop accurate multiscale water models that can be used to solvate biophysical systems of interest. Recently, a 4-to-1 mapping was used to couple the bundled-simple point charge water with the MARTINI model. Here, we extend the supramolecular mapping to coarse-grained models with explicit charges. In particular, the two tested models are the polarizable water and big multiple water models associated with the MARTINI force field. As corresponding coarse-grained representations consist of several interaction sites, we couple orientational degrees of freedom of the atomistic and coarse-grained representations via a harmonic energy penalty term. This additional energy term aligns the dipole moments of both representations. We test this coupling by studying the system under applied static external electric field. We show that our approach leads to the correct reproduction of the relevant structural and dynamical properties

  20. Modelling asymmetric growth in crowded plant communities

    DEFF Research Database (Denmark)

    Damgaard, Christian

    2010-01-01

    A class of models that may be used to quantify the effect of size-asymmetric competition in crowded plant communities by estimating a community specific degree of size-asymmetric growth for each species in the community is suggested. The model consists of two parts: an individual size......-asymmetric growth part, where growth is assumed to be proportional to a power function of the size of the individual, and a term that reduces the relative growth rate as a decreasing function of the individual plant size and the competitive interactions from other plants in the neighbourhood....

  1. Multiscale Modeling of Grain Boundary Segregation and Embrittlement in Tungsten for Mechanistic Design of Alloys for Coal Fired Plants

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Jian; Tomar, Vikas; Zhou, Naixie; Lee, Hongsuk

    2013-06-30

    Based on a recent discovery of premelting-like grain boundary segregation in refractory metals occurring at high temperatures and/or high alloying levels, this project investigated grain boundary segregation and embrittlement in tungsten (W) based alloys. Specifically, new interfacial thermodynamic models have been developed and quantified to predict high-temperature grain boundary segregation in the W-Ni binary alloy and W-Ni-Fe, W-Ni-Ti, W-Ni-Co, W-Ni-Cr, W-Ni-Zr and W-Ni-Nb ternary alloys. The thermodynamic modeling results have been experimentally validated for selected systems. Furthermore, multiscale modeling has been conducted at continuum, atomistic and quantum-mechanical levels to link grain boundary segregation with embrittlement. In summary, this 3-year project has successfully developed a theoretical framework in combination with a multiscale modeling strategy for predicting grain boundary segregation and embrittlement in W based alloys.

  2. Effect of Irrigation Timing on Root Zone Soil Temperature, Root Growth and Grain Yield and Chemical Composition in Corn

    Directory of Open Access Journals (Sweden)

    Xuejun Dong

    2016-05-01

    Full Text Available High air temperatures during the crop growing season can reduce harvestable yields in major agronomic crops worldwide. Repeated and prolonged high night air temperature stress may compromise plant growth and yield. Crop varieties with improved heat tolerance traits as well as crop management strategies at the farm scale are thus needed for climate change mitigation. Crop yield is especially sensitive to night-time warming trends. Current studies are mostly directed to the elevated night-time air temperature and its impact on crop growth and yield, but less attention is given to the understanding of night-time soil temperature management. Delivering irrigation water through drip early evening may reduce soil temperature and thus improve plant growth. In addition, corn growers typically use high-stature varieties that inevitably incur excessive respiratory carbon loss from roots and transpiration water loss under high night temperature conditions. The main objective of this study was to see if root-zone soil temperature can be reduced through drip irrigation applied at night-time, vs. daytime, using three corn hybrids of different above-ground architecture in Uvalde, TX where day and night temperatures during corn growing season are above U.S. averages. The experiment was conducted in 2014. Our results suggested that delivering well-water at night-time through drip irrigation reduced root-zone soil temperature by 0.6 °C, increase root length five folds, plant height 2%, and marginally increased grain yield by 10%. However, irrigation timing did not significantly affect leaf chlorophyll level and kernel crude protein, phosphorous, fat and starch concentrations. Different from our hypothesis, the shorter, more compact corn hybrid did not exhibit a higher yield and growth as compared with taller hybrids. As adjusting irrigation timing would not incur an extra cost for farmers, the finding reported here had immediate practical implications for farm

  3. Sodium induced grain growth, defect passivation and enhancement in the photovoltaic properties of Cu{sub 2}ZnSnS{sub 4} thin film solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Om Pal; Gour, Kuldeep Singh [Physics of Energy Harvesting Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Parmar, Rahul [Physics of Energy Harvesting Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Singh, Vidya Nand, E-mail: singhvn@nplindia.org [Physics of Energy Harvesting Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi 110012 (India)

    2016-07-01

    Sodium diffusion from soda lime glass (SLG) during high temperature annealing is known to play a crucial role in affecting the grain growth and defect passivation in chalocogenide/kesterite solar cells. Additional sodium is required when low temperature or short term annealing is used. Although this fact is known, a systematic comparative study for kesterite films is seldom reported. In the present study, Cu{sub 2}ZnSnS{sub 4} thin films were deposited on SLG and Mo coated SLG using stacked layer reactive sputtering. Na was deposited over the CZTS thin film and the film was annealed in N{sub 2} atmosphere in order to enhance the grain growth. This resulted in the shift in the XRD peak towards lower diffraction angle. The optical bandgap shifted from 1.45 eV to 1.38 eV with Na addition. Significant grain growth from hundreds of nanometer to micrometer was observed in samples with Na. Device fabricated in SLG/Mo/CZTS/CdS/ZnO/ITO configuration with Al front contact shows increase in efficiencies values from 1.50% to 2.84%. - Highlights: • Reactive sputtering with reduced annealing time have been used for the growth of CZTS thin film. • NaF has been deposited over precursor film before annealing. • Na addition resulted in grain growth, improved compactness and reduction in band gap. • An enhancement in the photovoltaic characteristics have been observed with addition of Na.

  4. Polymer-Coated Urea Delays Growth and Accumulation of Key Nutrients in Aerobic Rice but Does Not Affect Grain Mineral Concentrations

    Directory of Open Access Journals (Sweden)

    Terry J. Rose

    2016-01-01

    Full Text Available Enhanced efficiency nitrogen (N fertilizers (EEFs may improve crop recovery of fertilizer-N, but there is evidence that some EEFs cause a lag in crop growth compared to growth with standard urea. Biomass and mineral nutrient accumulation was investigated in rice fertilized with urea, urea-3,4-dimethylpyrazole phosphate (DMPP and polymer-coated urea (PCU to determine whether any delays in biomass production alter the accumulation patterns, and subsequent grain concentrations, of key mineral nutrients. Plant growth and mineral accumulation and partitioning to grains did not differ significantly between plants fertilized with urea or urea-DMPP. In contrast, biomass accumulation and the accumulation of phosphorus, potassium, calcium, magnesium, copper, zinc and manganese were delayed during the early growth phase of plants fertilized with PCU. However, plants in the PCU treatment ultimately compensated for this by increasing growth and nutrient uptake during the latter vegetative stages so that no differences in biomass or nutrient accumulation generally existed among N fertilizer treatments at anthesis. Delayed biomass accumulation in rice fertilized with PCU does not appear to reduce the total accumulation of mineral nutrients, nor to have any impact on grain mineral nutrition when biomass and grain yields are equal to those of rice grown with urea or urea-DMPP.

  5. Growth curve models and statistical diagnostics

    CERN Document Server

    Pan, Jian-Xin

    2002-01-01

    Growth-curve models are generalized multivariate analysis-of-variance models. These models are especially useful for investigating growth problems on short times in economics, biology, medical research, and epidemiology. This book systematically introduces the theory of the GCM with particular emphasis on their multivariate statistical diagnostics, which are based mainly on recent developments made by the authors and their collaborators. The authors provide complete proofs of theorems as well as practical data sets and MATLAB code.

  6. Classical density functional theory & simulations on a coarse-grained model of aromatic ionic liquids.

    Science.gov (United States)

    Turesson, Martin; Szparaga, Ryan; Ma, Ke; Woodward, Clifford E; Forsman, Jan

    2014-05-14

    A new classical density functional approach is developed to accurately treat a coarse-grained model of room temperature aromatic ionic liquids. Our major innovation is the introduction of charge-charge correlations, which are treated in a simple phenomenological way. We test this theory on a generic coarse-grained model for aromatic RTILs with oligomeric forms for both cations and anions, approximating 1-alkyl-3-methyl imidazoliums and BF₄⁻, respectively. We find that predictions by the new density functional theory for fluid structures at charged surfaces are very accurate, as compared with molecular dynamics simulations, across a range of surface charge densities and lengths of the alkyl chain. Predictions of interactions between charged surfaces are also presented.

  7. Automatic kinetic Monte-Carlo modeling for impurity atom diffusion in grain boundary structure of tungsten material

    Directory of Open Access Journals (Sweden)

    Atsushi M. Ito

    2017-08-01

    Full Text Available The diffusion process of hydrogen and helium in plasma-facing material depends on the grain boundary structures. Whether a grain boundary accelerates or limits the diffusion speed of these impurity atoms is not well understood. In the present work, we proposed the automatic modeling of a kinetic Monte-Carlo (KMC simulation to treat an asymmetric grain boundary structure that corresponds to target samples used in fusion material experiments for retention and permeation. In this method, local minimum energy sites and migration paths for impurity atoms in the grain boundary structure are automatically found using localized molecular dynamics. The grain boundary structure was generated with the Voronoi diagram. Consequently, we demonstrate that the KMC simulation for the diffusion process of impurity atoms in the generated grain boundary structure of tungsten material can be performed.

  8. CH3NH3PbI3 grain growth and interfacial properties in meso-structured perovskite solar cells fabricated by two-step deposition

    Science.gov (United States)

    Yao, Zhibo; Wang, Wenli; Shen, Heping; Zhang, Ye; Luo, Qiang; Yin, Xuewen; Dai, Xuezeng; Li, Jianbao; Lin, Hong

    2017-12-01

    Although the two-step deposition (TSD) method is widely adopted for the high performance perovskite solar cells (PSCs), the CH3NH3PbI3 perovskite crystal growth mechanism during the TSD process and the photo-generated charge recombination dynamics in the mesoporous-TiO2 (mp-TiO2)/CH3NH3PbI3/hole transporting material (HTM) system remains unexploited. Herein, we modified the concentration of PbI2 (C(PbI2)) solution to control the perovskite crystal properties, and observed an abnormal CH3NH3PbI3 grain growth phenomenon atop mesoporous TiO2 film. To illustrate this abnormal grain growth mechanism, we propose that a grain ripening process is taking place during the transformation from PbI2 to CH3NH3PbI3, and discuss the PbI2 nuclei morphology, perovskite grain growing stage, as well as Pb:I atomic ratio difference among CH3NH3PbI3 grains with different morphology. These C(PbI2)-dependent perovskite morphologies resulted in varied charge carrier transfer properties throughout the mp-TiO2/CH3NH3PbI3/HTM hybrid, as illustrated by photoluminescence measurement. Furthermore, the effect of CH3NH3PbI3 morphology on light absorption and interfacial properties is investigated and correlated with the photovoltaic performance of PSCs.

  9. Microstructural evolution of a 2.25Cr - 1 Mo steel during austenitization and temper: austenite grain growth, carbide precipitation sequence and effects on mechanical properties

    International Nuclear Information System (INIS)

    Depinoy, Sylvain

    2015-01-01

    This work aims at optimizing tensile and toughness properties of a 2.25Cr - 1Mo steel by controlling its microstructure through heat treatments. To this aim, phase transformations during austenitization, quenching and tempering have to be understood. Quantitative microstructural analyses were performed by means of SEM, TEM and XRD to characterize and model metallurgical evolution of the steel at each step of the heat treatment. The evolution of austenite during the austenitization stage, and its influence on the resulting as-quenched microstructure were thoroughly investigated. Austenite grain growth was modelled in order to understand its mechanisms, including the limited growth phenomenon observed at lower temperatures. The effect of austenitization conditions on further decomposition of austenite and on mechanical properties after quenching + tempering was experimentally determined. An optimal austenitization condition was selected and applied to study the tempering stage. Carbide precipitation was studied for various tempering temperatures and amounts of time. M3C carbides precipitate first, followed by M2C and M7C3; M23C6 are the equilibrium carbides. The influence of carbide precipitation on mechanical properties was studied. Tensile properties are closely linked to the tempering conditions in the range investigated, while impact toughness remains stable. (author) [fr

  10. Orchestrated structure evolution: modeling growth-regulated nanomanufacturing

    Energy Technology Data Exchange (ETDEWEB)

    Abbasi, Shaghayegh; Boehringer, Karl F [Department of Electrical Engineering, University of Washington, Seattle, WA 98195-2500 (United States); Kitayaporn, Sathana; Schwartz, Daniel T, E-mail: karlb@washington.edu [Department of Chemical Engineering, University of Washington, Seattle, WA 98195-2500 (United States)

    2011-04-22

    Orchestrated structure evolution (OSE) is a scalable manufacturing method that combines the advantages of top-down (tool-directed) and bottom-up (self-propagating) approaches. The method consists of a seed patterning step that defines where material nucleates, followed by a growth step that merges seeded islands into the final patterned thin film. We develop a model to predict the completed pattern based on a computationally efficient approximate Green's function solution of the diffusion equation plus a Voronoi diagram based approach that defines the final grain boundary structure. Experimental results rely on electron beam lithography to pattern the seeds, followed by the mass transfer limited growth of copper via electrodeposition. The seed growth model is compared with experimental results to quantify nearest neighbor seed-to-seed interactions as well as how seeds interact with the pattern boundary to impact the local growth rate. Seed-to-seed and seed-to-pattern interactions are shown to result in overgrowth of seeds on edges and corners of the shape, where seeds have fewer neighbors. We explore how local changes to the seed location can be used to improve the patterning quality without increasing the manufacturing cost. OSE is shown to enable a unique set of trade-offs between the cost, time, and quality of thin film patterning.

  11. Comment on "Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps"

    Czech Academy of Sciences Publication Activity Database

    Lejček, Pavel; Hofmann, S.

    2015-01-01

    Roč. 107, Sep (2015), s. 235-237 ISSN 0927-0256 R&D Projects: GA ČR GBP108/12/G043 Institutional support: RVO:68378271 Keywords : nanocrystalline materials * grain size * grain boundary energy * grain boundary segregation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.086, year: 2015

  12. On a Versatile Stochastic Growth Model

    Directory of Open Access Journals (Sweden)

    Samiur Arif

    2012-06-01

    Full Text Available Growth phenomena are ubiquitous and pervasive not only in biology and the medical sciences, but also in economics, marketing and the computer and social sciences. We introduce a three-parameter version of the classic pure-birth process growth model when suitably instantiated, can be used to model growth phenomena in many seemingly unrelated application domains. We point out that the model is computationally attractive since it admits of conceptually simple, closed form solutions for the time-dependent probabilities.

  13. Recent advances in modelling creep crack growth

    International Nuclear Information System (INIS)

    Riedel, H.

    1988-08-01

    At the time of the previous International Conference on Fracture, the C* integral had long been recognized as a promising load parameter for correlating crack growth rates in creep-ductile materials. The measured crack growth rates as a function of C* and of the temperature could be understood on the basis of micromechanical models. The distinction between C*-controlled and K I -controlled creep crack growth had been clarified and first attempts had been made to describe creep crack growth in the transient regime between elastic behavior and steady-state creep. This paper describes the progress in describing transient crack growth including the effect of primary creep. The effect of crack-tip geometry changes by blunting and by crack growth on the crack-tip fields and on the validity of C* is analyzed by idealizing the growing-crack geometry by a sharp notch and using recent solutions for the notch-tip fields. A few new three-dimensional calculations of C* are cited and important theoretical points are emphasized regarding the three-dimensional fields at crack tips. Finally, creep crack growth is described by continuum-damage models for which similarity solutions can be obtained. Crack growth under small-scale creep conditions turns out to be difficult to understand. Slightly different models yield very different crack growth rates. (orig.) With 4 figs

  14. Dynamic and impact contact mechanics of geologic materials: Grain-scale experiments and modeling

    International Nuclear Information System (INIS)

    Cole, David M.; Hopkins, Mark A.; Ketcham, Stephen A.

    2013-01-01

    High fidelity treatments of the generation and propagation of seismic waves in naturally occurring granular materials is becoming more practical given recent advancements in our ability to model complex particle shapes and their mechanical interaction. Of particular interest are the grain-scale processes that are activated by impact events and the characteristics of force transmission through grain contacts. To address this issue, we have developed a physics based approach that involves laboratory experiments to quantify the dynamic contact and impact behavior of granular materials and incorporation of the observed behavior indiscrete element models. The dynamic experiments do not involve particle damage and emphasis is placed on measured values of contact stiffness and frictional loss. The normal stiffness observed in dynamic contact experiments at low frequencies (e.g., 10 Hz) are shown to be in good agreement with quasistatic experiments on quartz sand. The results of impact experiments – which involve moderate to extensive levels of particle damage – are presented for several types of naturally occurring granular materials (several quartz sands, magnesite and calcium carbonate ooids). Implementation of the experimental findings in discrete element models is discussed and the results of impact simulations involving up to 5 × 105 grains are presented.

  15. Dynamic and impact contact mechanics of geologic materials: Grain-scale experiments and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Cole, David M.; Hopkins, Mark A.; Ketcham, Stephen A. [Engineer Research and Development Center - Cold Regions Research and Engineering Laboratory, 72 Lyme Rd., Hanover, NH 03755 (United States)

    2013-06-18

    High fidelity treatments of the generation and propagation of seismic waves in naturally occurring granular materials is becoming more practical given recent advancements in our ability to model complex particle shapes and their mechanical interaction. Of particular interest are the grain-scale processes that are activated by impact events and the characteristics of force transmission through grain contacts. To address this issue, we have developed a physics based approach that involves laboratory experiments to quantify the dynamic contact and impact behavior of granular materials and incorporation of the observed behavior indiscrete element models. The dynamic experiments do not involve particle damage and emphasis is placed on measured values of contact stiffness and frictional loss. The normal stiffness observed in dynamic contact experiments at low frequencies (e.g., 10 Hz) are shown to be in good agreement with quasistatic experiments on quartz sand. The results of impact experiments - which involve moderate to extensive levels of particle damage - are presented for several types of naturally occurring granular materials (several quartz sands, magnesite and calcium carbonate ooids). Implementation of the experimental findings in discrete element models is discussed and the results of impact simulations involving up to 5 Multiplication-Sign 105 grains are presented.

  16. A theoretical model of grain boundary self-diffusion in metals with phase transitions (case study into titanium and zirconium)

    Science.gov (United States)

    Semenycheva, Alexandra V.; Chuvil'deev, Vladimir N.; Nokhrin, Aleksey V.

    2018-05-01

    The paper offers a model describing the process of grain boundary self-diffusion in metals with phase transitions in the solid state. The model is based on ideas and approaches found in the theory of non-equilibrium grain boundaries. The range of application of basic relations contained in this theory is shown to expand, as they can be used to calculate the parameters of grain boundary self-diffusion in high-temperature and low-temperature phases of metals with a phase transition. The model constructed is used to calculate grain boundary self-diffusion activation energy in titanium and zirconium and an explanation is provided as to their abnormally low values in the low-temperature phase. The values of grain boundary self-diffusion activation energy are in good agreement with the experiment.

  17. Protein folding simulations: from coarse-grained model to all-atom model.

    Science.gov (United States)

    Zhang, Jian; Li, Wenfei; Wang, Jun; Qin, Meng; Wu, Lei; Yan, Zhiqiang; Xu, Weixin; Zuo, Guanghong; Wang, Wei

    2009-06-01

    Protein folding is an important and challenging problem in molecular biology. During the last two decades, molecular dynamics (MD) simulation has proved to be a paramount tool and was widely used to study protein structures, folding kinetics and thermodynamics, and structure-stability-function relationship. It was also used to help engineering and designing new proteins, and to answer even more general questions such as the minimal number of amino acid or the evolution principle of protein families. Nowadays, the MD simulation is still undergoing rapid developments. The first trend is to toward developing new coarse-grained models and studying larger and more complex molecular systems such as protein-protein complex and their assembling process, amyloid related aggregations, and structure and motion of chaperons, motors, channels and virus capsides; the second trend is toward building high resolution models and explore more detailed and accurate pictures of protein folding and the associated processes, such as the coordination bond or disulfide bond involved folding, the polarization, charge transfer and protonate/deprotonate process involved in metal coupled folding, and the ion permeation and its coupling with the kinetics of channels. On these new territories, MD simulations have given many promising results and will continue to offer exciting views. Here, we review several new subjects investigated by using MD simulations as well as the corresponding developments of appropriate protein models. These include but are not limited to the attempt to go beyond the topology based Gō-like model and characterize the energetic factors in protein structures and dynamics, the study of the thermodynamics and kinetics of disulfide bond involved protein folding, the modeling of the interactions between chaperonin and the encapsulated protein and the protein folding under this circumstance, the effort to clarify the important yet still elusive folding mechanism of protein BBL

  18. Antagonistic activity of Ocimum sanctum L. essential oil on growth and zearalenone production by Fusarium graminearum in maize grains

    Directory of Open Access Journals (Sweden)

    Naveen Kumar eKalagatur

    2015-09-01

    Full Text Available The present study was aimed to establish the antagonistic effects of Ocimum sanctum L. essential oil (OSEO on growth and zearalenone (ZEA production of Fusarium graminearum. GC-MS chemical profiling of OSEO revealed the existence of 43 compounds and the major compound was found to be eugenol (34.7%. DPPH free radical scavenging activity (IC50 of OSEO was determined to be 8.5µg/mL. Minimum inhibitory concentration (MIC and minimum fungicidal concentration (MFC of OSEO on F. graminearum were recorded as 1250 µg/mL and 1800 µg/mL, respectively. Scanning electron microscope observations showed significant micro morphological damage in OSEO exposed mycelia and spores compared to untreated control culture. Quantitative UHPLC studies revealed that OSEO negatively effected the production of ZEA; the concentration of toxin production was observed to be insignificant at 1500 µg/mL concentration of OSEO. On other hand ZEA concentration was quantified as 3.23 µg/mL in OSEO untreated control culture. Reverse transcriptase qPCR analysis of ZEA metabolic pathway genes (PKS4 and PKS13 revealed that increase in OSEO concentration (250 µg/mL to 1500 µg/mL significantly downregulated the expression of PKS4 and PKS13. These results were in agreement with the artificially contaminated maize grains as well. In conlusion, the antifungal and antimycotoxic effects of OSEO on F. graminearum in the present study reiterated that, the essential oil of O. sanctum could be a promising herbal fungicide in food processing industries as well as grain storage centers.

  19. Constitutive expression of CaPLA1 conferred enhanced growth and grain yield in transgenic rice plants.

    Science.gov (United States)

    Park, Ki Youl; Kim, Eun Yu; Seo, Young Sam; Kim, Woo Taek

    2016-03-01

    Phospholipids are not only important components of cell membranes, but participate in diverse processes in higher plants. In this study, we generated Capsicum annuum phospholipiase A1 (CaPLA1) overexpressing transgenic rice (Oryza sativa L.) plants under the control of the maize ubiquitin promoter. The T4 CaPLA1-overexpressing rice plants (Ubi:CaPLA1) had a higher root:shoot mass ratio than the wild-type plants in the vegetative stage. Leaf epidermal cells from transgenic plants had more cells than wild-type plants. Genes that code for cyclin and lipid metabolic enzymes were up-regulated in the transgenic lines. When grown under typical paddy field conditions, the transgenic plants produced more tillers, longer panicles and more branches per panicle than the wild-type plants, all of which resulted in greater grain yield. Microarray analysis suggests that gene expressions that are related with cell proliferation, lipid metabolism, and redox state were widely altered in CaPLA1-overexpressing transgenic rice plants. Ubi:CaPLA1 plants had a reduced membrane peroxidation state, as determined by malondialdehyde and conjugated diene levels and higher peroxidase activity than wild-type rice plants. Furthermore, three isoprenoid synthetic genes encoding terpenoid synthase, hydroxysteroid dehydrogenase and 3-hydroxy-3-methyl-glutaryl-CoA reductase were up-regulated in CaPLA1-overexpressing plants. We suggest that constitutive expression of CaPLA1 conferred increased grain yield with enhanced growth in transgenic rice plants by alteration of gene activities related with cell proliferation, lipid metabolism, membrane peroxidation state and isoprenoid biosynthesis.

  20. Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models

    Directory of Open Access Journals (Sweden)

    Stovgaard Kasper

    2010-08-01

    Full Text Available Abstract Background Genome sequencing projects have expanded the gap between the amount of known protein sequences and structures. The limitations of current high resolution structure determination methods make it unlikely that this gap will disappear in the near future. Small angle X-ray scattering (SAXS is an established low resolution method for routinely determining the structure of proteins in solution. The purpose of this study is to develop a method for the efficient calculation of accurate SAXS curves from coarse-grained protein models. Such a method can for example be used to construct a likelihood function, which is paramount for structure determination based on statistical inference. Results We present a method for the efficient calculation of accurate SAXS curves based on the Debye formula and a set of scattering form factors for dummy atom representations of amino acids. Such a method avoids the computationally costly iteration over all atoms. We estimated the form factors using generated data from a set of high quality protein structures. No ad hoc scaling or correction factors are applied in the calculation of the curves. Two coarse-grained representations of protein structure were investigated; two scattering bodies per amino acid led to significantly better results than a single scattering body. Conclusion We show that the obtained point estimates allow the calculation of accurate SAXS curves from coarse-grained protein models. The resulting curves are on par with the current state-of-the-art program CRYSOL, which requires full atomic detail. Our method was also comparable to CRYSOL in recognizing native structures among native-like decoys. As a proof-of-concept, we combined the coarse-grained Debye calculation with a previously described probabilistic model of protein structure, TorusDBN. This resulted in a significant improvement in the decoy recognition performance. In conclusion, the presented method shows great promise for

  1. Multiscale Simulation and Modeling of Multilayer Heteroepitactic Growth of C60 on Pentacene.

    Science.gov (United States)

    Acevedo, Yaset M; Cantrell, Rebecca A; Berard, Philip G; Koch, Donald L; Clancy, Paulette

    2016-03-29

    We apply multiscale methods to describe the strained growth of multiple layers of C60 on a thin film of pentacene. We study this growth in the presence of a monolayer pentacene step to compare our simulations to recent experimental studies by Breuer and Witte of submonolayer growth in the presence of monolayer steps. The molecular-level details of this organic semiconductor interface have ramifications on the macroscale structural and electronic behavior of this system and allow us to describe several unexplained experimental observations for this system. The growth of a C60 thin film on a pentacene surface is complicated by the differing crystal habits of the two component species, leading to heteroepitactical growth. In order to probe this growth, we use three computational methods that offer different approaches to coarse-graining the system and differing degrees of computational efficiency. We present a new, efficient reaction-diffusion continuum model for 2D systems whose results compare well with mesoscale kinetic Monte Carlo (KMC) results for submonolayer growth. KMC extends our ability to simulate multiple layers but requires a library of predefined rates for event transitions. Coarse-grained molecular dynamics (CGMD) circumvents KMC's need for predefined lattices, allowing defects and grain boundaries to provide a more realistic thin film morphology. For multilayer growth, in this particularly suitable candidate for coarse-graining, CGMD is a preferable approach to KMC. Combining the results from these three methods, we show that the lattice strain induced by heteroepitactical growth promotes 3D growth and the creation of defects in the first monolayer. The CGMD results are consistent with experimental results on the same system by Conrad et al. and by Breuer and Witte in which C60 aggregates change from a 2D structure at low temperature to 3D clusters along the pentacene step edges at higher temperatures.

  2. Enhancement effects of dietary wheat distiller's dried grains with solubles on growth, immunology, and resistance to Edwardsiella ictaluri challenge of channel catfish, Ictalurus punctatus

    Science.gov (United States)

    This study evaluated the effects of the inclusion of wheat distiller’s dried grains with solubles (WDDGS) at levels of 0 (control), 10, 20, 30 and 40% without (diets 2-5) and with (diets 6-9) lysine supplementation, as substitutes of soybean meal and corn meal mixture on growth, body composition, he...

  3. Densification and Grain Growth during Early-stage Sintering of Ce0.9Gd0.1O1.95-δ in Reducing Atmosphere

    DEFF Research Database (Denmark)

    He, Zeming; Yuan, Hao; Glasscock, Julie

    2010-01-01

    The present work investigates the processes of densification and grain growth of Ce0.9Gd0.1O1.95-δ (CGO10) during sintering in reducing atmosphere. Sintering variables were experimentally characterized and analyzed using defect chemistry and sintering constitutive laws. Based on the achieved...

  4. Growth performance and total tract nutrient digestion for Holstein heifers limit-fed diets high in distillers grains with different forage particle sizes

    Science.gov (United States)

    This study evaluated dairy heifer growth performance and total tract nutrient digestion when fed diets high in dried distillers grains with solubles (DDGS) with different forage particle size. An 8-wk randomized complete block design study was conducted utilizing twenty-two Holstein heifers (123 ±...

  5. Effect of grain morphology on gas bubble swelling in UMo fuels – A 3D microstructure dependent Booth model

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Shenyang, E-mail: shenyang.hu@pnnl.gov; Burkes, Douglas; Lavender, Curt A.; Joshi, Vineet

    2016-11-15

    A three dimensional microstructure dependent swelling model is developed for studying the fission gas swelling kinetics in irradiated nuclear fuels. The model is extended from the Booth model [1] in order to investigate the effect of heterogeneous microstructures on gas bubble swelling kinetics. As an application of the model, the effect of grain morphology, fission gas diffusivity, and spatially dependent fission rate on swelling kinetics are simulated in UMo fuels. It is found that the decrease of grain size, the increase of grain aspect ratio for the grain having the same volume, and the increase of fission gas diffusivity (fission rate) cause the increase of swelling kinetics. Other heterogeneities such as second phases and spatially dependent thermodynamic properties including diffusivity of fission gas, sink and source strength of defects could be naturally integrated into the model to enhance the model capability.

  6. 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.

  7. Compatible growth models and stand density diagrams

    International Nuclear Information System (INIS)

    Smith, N.J.; Brand, D.G.

    1988-01-01

    This paper discusses a stand average growth model based on the self-thinning rule developed and used to generate stand density diagrams. Procedures involved in testing are described and results are included

  8. Crystal plasticity modeling of irradiation growth in Zircaloy-2

    Science.gov (United States)

    Patra, Anirban; Tomé, Carlos N.; Golubov, Stanislav I.

    2017-08-01

    A physically based reaction-diffusion model is implemented in the visco-plastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. The reaction-diffusion model accounts for the defects produced by the cascade of displaced atoms, their diffusion to lattice sinks and the contribution to crystallographic strain at the level of single crystals. The VPSC framework accounts for intergranular interactions and irradiation creep, and calculates the strain in the polycrystalline ensemble. A novel scheme is proposed to model the simultaneous evolution of both, number density and radius, of irradiation-induced dislocation loops directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behaviour of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture and external stress on the coupled irradiation growth and creep behaviour are also studied and compared with available experimental data.

  9. Deep Learning versus Professional Healthcare Equipment: A Fine-Grained Breathing Rate Monitoring Model

    Directory of Open Access Journals (Sweden)

    Bang Liu

    2018-01-01

    Full Text Available In mHealth field, accurate breathing rate monitoring technique has benefited a broad array of healthcare-related applications. Many approaches try to use smartphone or wearable device with fine-grained monitoring algorithm to accomplish the task, which can only be done by professional medical equipment before. However, such schemes usually result in bad performance in comparison to professional medical equipment. In this paper, we propose DeepFilter, a deep learning-based fine-grained breathing rate monitoring algorithm that works on smartphone and achieves professional-level accuracy. DeepFilter is a bidirectional recurrent neural network (RNN stacked with convolutional layers and speeded up by batch normalization. Moreover, we collect 16.17 GB breathing sound recording data of 248 hours from 109 and another 10 volunteers to train and test our model, respectively. The results show a reasonably good accuracy of breathing rate monitoring.

  10. Model for phonon transmission through a NbN grain-size distribution: Comparison with tunneling-spectroscopy observations

    International Nuclear Information System (INIS)

    Chicault, R.; Joly, Y.

    1990-01-01

    Transport properties of phonons in granular NbN thin film with left-angle 111 right-angle texture are discussed. We propose a model in which each grain has an acoustic resonance when phonons propagate parallel to the film and where a coupling through the amorphous boundaries exists. A statistical study shows that the most homogeneous chains in the grain stack are selected because of the strong efficiency of their transport properties and that they give a fine structure of phonon modes even if the grain-size distribution is quite large. A reasonable agreement is obtained between our tunneling-spectroscopy experiments and the model. A typical experimental result has been fitted using an inelastic phonon-electron-interaction mean free path Λ ph ∼215 nm and a mean grain size d M ∼25.7 nm, the full width at half maximum of the grain distribution being 14 nm

  11. Coarse-grained molecular simulation of epidermal growth factor receptor protein tyrosine kinase multi-site self-phosphorylation.

    Directory of Open Access Journals (Sweden)

    John G Koland

    2014-01-01

    Full Text Available Upon the ligand-dependent dimerization of the epidermal growth factor receptor (EGFR, the intrinsic protein tyrosine kinase (PTK activity of one receptor monomer is activated, and the dimeric receptor undergoes self-phosphorylation at any of eight candidate phosphorylation sites (P-sites in either of the two C-terminal (CT domains. While the structures of the extracellular ligand binding and intracellular PTK domains are known, that of the ∼225-amino acid CT domain is not, presumably because it is disordered. Receptor phosphorylation on CT domain P-sites is critical in signaling because of the binding of specific signaling effector molecules to individual phosphorylated P-sites. To investigate how the combination of conventional substrate recognition and the unique topological factors involved in the CT domain self-phosphorylation reaction lead to selectivity in P-site phosphorylation, we performed coarse-grained molecular simulations of the P-site/catalytic site binding reactions that precede EGFR self-phosphorylation events. Our results indicate that self-phosphorylation of the dimeric EGFR, although generally believed to occur in trans, may well occur with a similar efficiency in cis, with the P-sites of both receptor monomers being phosphorylated to a similar extent. An exception was the case of the most kinase-proximal P-site-992, the catalytic site binding of which occurred exclusively in cis via an intramolecular reaction. We discovered that the in cis interaction of P-site-992 with the catalytic site was facilitated by a cleft between the N-terminal and C-terminal lobes of the PTK domain that allows the short CT domain sequence tethering P-site-992 to the PTK core to reach the catalytic site. Our work provides several new mechanistic insights into the EGFR self-phosphorylation reaction, and demonstrates the potential of coarse-grained molecular simulation approaches for investigating the complexities of self-phosphorylation in

  12. Coarse-graining to the meso and continuum scales with molecular-dynamics-like models

    Science.gov (United States)

    Plimpton, Steve

    Many engineering-scale problems that industry or the national labs try to address with particle-based simulations occur at length and time scales well beyond the most optimistic hopes of traditional coarse-graining methods for molecular dynamics (MD), which typically start at the atomic scale and build upward. However classical MD can be viewed as an engine for simulating particles at literally any length or time scale, depending on the models used for individual particles and their interactions. To illustrate I'll highlight several coarse-grained (CG) materials models, some of which are likely familiar to molecular-scale modelers, but others probably not. These include models for water droplet freezing on surfaces, dissipative particle dynamics (DPD) models of explosives where particles have internal state, CG models of nano or colloidal particles in solution, models for aspherical particles, Peridynamics models for fracture, and models of granular materials at the scale of industrial processing. All of these can be implemented as MD-style models for either soft or hard materials; in fact they are all part of our LAMMPS MD package, added either by our group or contributed by collaborators. Unlike most all-atom MD simulations, CG simulations at these scales often involve highly non-uniform particle densities. So I'll also discuss a load-balancing method we've implemented for these kinds of models, which can improve parallel efficiencies. From the physics point-of-view, these models may be viewed as non-traditional or ad hoc. But because they are MD-style simulations, there's an opportunity for physicists to add statistical mechanics rigor to individual models. Or, in keeping with a theme of this session, to devise methods that more accurately bridge models from one scale to the next.

  13. Value function in economic growth model

    Science.gov (United States)

    Bagno, Alexander; Tarasyev, Alexandr A.; Tarasyev, Alexander M.

    2017-11-01

    Properties of the value function are examined in an infinite horizon optimal control problem with an unlimited integrand index appearing in the quality functional with a discount factor. Optimal control problems of such type describe solutions in models of economic growth. Necessary and sufficient conditions are derived to ensure that the value function satisfies the infinitesimal stability properties. It is proved that value function coincides with the minimax solution of the Hamilton-Jacobi equation. Description of the growth asymptotic behavior for the value function is provided for the logarithmic, power and exponential quality functionals and an example is given to illustrate construction of the value function in economic growth models.

  14. Tax Evasion and Economic Growth in an Endogenous Growth Model

    OpenAIRE

    加藤, 秀弥; KATO, Hideya

    2004-01-01

    This paper presents an endogenous growth model with tax evasion where government expenditures affect production. An individual evades a tax so as to maximize his or her utility, the tax authority controls the detection probability to maximize net tax revenue, and the government chooses the income tax rate to maximize individuals’ utility. The main conclusions are as follows. First, the optical income tax rate with tax evasion is higher than that without tax evasion. Second, the rise in a ...

  15. Weak Galilean invariance as a selection principle for coarse-grained diffusive models.

    Science.gov (United States)

    Cairoli, Andrea; Klages, Rainer; Baule, Adrian

    2018-05-29

    How does the mathematical description of a system change in different reference frames? Galilei first addressed this fundamental question by formulating the famous principle of Galilean invariance. It prescribes that the equations of motion of closed systems remain the same in different inertial frames related by Galilean transformations, thus imposing strong constraints on the dynamical rules. However, real world systems are often described by coarse-grained models integrating complex internal and external interactions indistinguishably as friction and stochastic forces. Since Galilean invariance is then violated, there is seemingly no alternative principle to assess a priori the physical consistency of a given stochastic model in different inertial frames. Here, starting from the Kac-Zwanzig Hamiltonian model generating Brownian motion, we show how Galilean invariance is broken during the coarse-graining procedure when deriving stochastic equations. Our analysis leads to a set of rules characterizing systems in different inertial frames that have to be satisfied by general stochastic models, which we call "weak Galilean invariance." Several well-known stochastic processes are invariant in these terms, except the continuous-time random walk for which we derive the correct invariant description. Our results are particularly relevant for the modeling of biological systems, as they provide a theoretical principle to select physically consistent stochastic models before a validation against experimental data.

  16. Deformation inhomogeneity in large-grained AA5754 sheets

    International Nuclear Information System (INIS)

    Zhu Guozhen; Hu Xiaohua; Kang Jidong; Mishra, Raja K.; Wilkinson, David S.

    2011-01-01

    Research highlights: → Microstructure and strain relationship at individual grain level was studied. → 'Hot spots' nucleate early and most keep growing throughout deformation stages. → 'Hot spots' are correlated with 'soft' grains and soft-evolution grains. → Grains with high Schmid factors tend to be 'soft' grains. → Grains with the direction close to tensile axis tend to become softer. - Abstract: Models for deformation and strain localization in polycrystals that incorporate microstructural features including particles are computationally intensive due to the large variation in scale in going from particles to grains to a specimen. As a result such models are generally 2-D in nature. This is an issue for experimental validation. We have therefore studied deformation heterogeneities and strain localization behavior of coarse-grained alloys with only two grains across the sample thickness, therefore mimicking 2-D behavior. Aluminum alloy sheets (AA5754) have been investigated by a number of surface techniques, including digital image correlation, slip trace analysis and electron backscattered diffraction, at the individual grain level. Local strain concentration zones appear from the very beginning of deformation, which then maintain sustained growth and lead, in one of these regions, to localization and final fracture. These 'hot spots' occur in areas with locally soft grains (i.e. grains with or close to the tensile direction) and soft-evolution orientations (i.e. grains with close to the tensile direction). These grains can be correlated with Taylor and/or Schmid factors.

  17. Whole-plant dynamic system of nitrogen use for vegetative growth and grain filling in rice plants (Oryza sativa L. as revealed through the production of 350 grains from a germinated seed over 150 days: a review and synthesis

    Directory of Open Access Journals (Sweden)

    Tadakatsu Yoneyama

    2016-08-01

    Full Text Available A single germinated rice (Oryza sativa L seed can produce 350 grains with the sequential development of 15 leaves on the main stem and 7 ‒ 10 leaves on 4 productive tillers (forming 5 panicles in total, using nitrogen (N taken up from the environment over a 150-day growing season. Nitrogen travels from uptake sites to the grain through growing organ-directed cycling among sequentially developed organs. Over the past 40 years, the dynamic system for N allocation during vegetative growth and grain filling has been elucidated through studies on N and 15N transport as well as enzymes and transporters involved. In this review, we synthesize the information obtained in these studies along the following main points: (1 During vegetative growth before grain-filling, about half of the total N in the growing organs, including young leaves, tillers, root tips and differentiating panicles is supplied via phloem from mature source organs such as leaves and roots, after turnover and remobilization of proteins, whereas the other half is newly taken up and supplied via xylem, with an efficient xylem-to-phloem transfer at stem nodes. Thus, the growth of new organs depends equally on both N sources. (2 A large fraction (as much as 80% of the grain N is derived largely from mature organs such as leaves and stems by degradation, including the autophagy pathway of chloroplast proteins (e.g., Rubisco. (3 Mobilized proteinogenic amino acids, including arginine, lysine, proline and valine, are derived mainly from protein degradation, with amino acid transporters playing a role in transferring these amino acids across cell membranes of source and sink organs, and enabling their efficient reutilization in the latter. On the other hand, amino acids such as glutamine, glutamic acid, γ-amino butyric acid, aspartic acid, and alanine are produced by assimilation of newly taken up N by roots and transported via xylem and phloem. The formation of 350 filled grains over 50

  18. Modeling Math Growth Trajectory--An Application of Conventional Growth Curve Model and Growth Mixture Model to ECLS K-5 Data

    Science.gov (United States)

    Lu, Yi

    2016-01-01

    To model students' math growth trajectory, three conventional growth curve models and three growth mixture models are applied to the Early Childhood Longitudinal Study Kindergarten-Fifth grade (ECLS K-5) dataset in this study. The results of conventional growth curve model show gender differences on math IRT scores. When holding socio-economic…

  19. Influence of grain size and exchange interaction on the LLB modeling procedure

    Science.gov (United States)

    Vogler, Christoph; Abert, Claas; Bruckner, Florian; Suess, Dieter; Praetorius, Dirk

    2016-12-01

    Reliably predicting bit-error rates in realistic heat-assisted magnetic recording simulations is a challenging task. Integrating the Landau-Lifshitz-Bloch (LLB) equation, within a coarse graining approach, can reduce the computational effort to determine the magnetization dynamics in the vicinity of the Curie temperature, compared to solving the atomistic Landau-Lifshitz-Gilbert equation. If the aim is that the dynamics of both approaches coincide, temperature dependent material functions, such as the zero-field equilibrium magnetization as well as the parallel and normal susceptibilities, must be modeled carefully in order to use them as input in the LLB equation. We present an extensive study on how these functions depend on grain size and exchange interactions. We show that, if the size or the exchange constant of a reference grain is modified, the material functions can be scaled, according to the changed Curie temperature, yielding negligible errors. This is shown to be valid for volume changes of up to ±40% and variations of the exchange constant of up to ±10%. Besides the temperature dependent material curves, computed switching probabilities also agree well with probabilities separately determined for each system. Our study suggests that there is no need to recalculate the required LLB input functions for each particle. Within the presented limits, it is sufficient to scale them to the Curie temperature of the altered system.

  20. Modelling Eutectic Growth in Unmodified and Modified Near-Eutectic Al-Si Alloy

    DEFF Research Database (Denmark)

    Tiedje, Niels Skat; Hattel, Jesper Henri; Taylor, John A.

    2013-01-01

    growth parameters from the literature that depend on the type of modification (unmodified, Na-modified or Sr-modified) are used to describe differences in growth of the alloys. Modelling results are compared with solidification experiments where an Al-12.5wt%Si alloy was cast in unmodified, Na modified......A numerical model that describes solidification of primary aluminium grains and nucleation and growth of eutectic cells is used to analyse the solidification of an Al-12.5wt% Si alloy. Nucleation of eutectic cells is modelled using an Oldfield-type nucleation model where the number of nuclei...... and Sr modified forms. The model confirms experimental observations of how modification and alloy composition influence nucleation, growth and finally the size of eutectic cells in the alloys. Modelling results are used to explain how cooling conditions in the casting act together with the nuclei density...

  1. Development of a self-consistent model of dust grain charging at elevated pressures using the method of moments

    International Nuclear Information System (INIS)

    Filippov, A.V.; Dyatko, N.A.; Pal', A.F.; Starostin, A.N.

    2003-01-01

    A model of dust grain charging is constructed using the method of moments. The dust grain charging process in a weakly ionized helium plasma produced by a 100-keV electron beam at atmospheric pressure is studied theoretically. In simulations, the beam current density was varied from 1 to 10 6 μA/cm 2 . It is shown that, in a He plasma, dust grains of radius 5 μm and larger perturb the electron temperature only slightly, although the reduced electric field near the grain reaches 8 Td, the beam current density being 10 6 μA/cm 2 . It is found that, at distances from the grain that are up to several tens or hundreds of times larger than its radius, the electron and ion densities are lower than their equilibrium values. Conditions are determined under which the charging process may be described by a model with constant electron transport coefficients. The dust grain charge is shown to be weakly affected by secondary electron emission. In a beam-produced helium plasma, the dust grain potential calculated in the drift-diffusion model is shown to be close to that calculated in the orbit motion limited model. It is found that, in the vicinity of a body perturbing the plasma, there may be no quasineutral plasma presheath with an ambipolar diffusion of charged particles. The conditions for the onset of this presheath in a beam-produced plasma are determined

  2. A triple-scale crystal plasticity modeling and simulation on size effect due to fine-graining

    International Nuclear Information System (INIS)

    Kurosawa, Eisuke; Aoyagi, Yoshiteru; Tadano, Yuichi; Shizawa, Kazuyuki

    2010-01-01

    In this paper, a triple-scale crystal plasticity model bridging three hierarchical material structures, i.e., dislocation structure, grain aggregate and practical macroscopic structure is developed. Geometrically necessary (GN) dislocation density and GN incompatibility are employed so as to describe isolated dislocations and dislocation pairs in a grain, respectively. Then the homogenization method is introduced into the GN dislocation-crystal plasticity model for derivation of the governing equation of macroscopic structure with the mathematical and physical consistencies. Using the present model, a triple-scale FE simulation bridging the above three hierarchical structures is carried out for f.c.c. polycrystals with different mean grain size. It is shown that the present model can qualitatively reproduce size effects of macroscopic specimen with ultrafine-grain, i.e., the increase of initial yield stress, the decrease of hardening ratio after reaching tensile strength and the reduction of tensile ductility with decrease of its grain size. Moreover, the relationship between macroscopic yielding of specimen and microscopic grain yielding is discussed and the mechanism of the poor tensile ductility due to fine-graining is clarified. (author)

  3. Cross-Species Extrapolation of Models for Predicting Lead Transfer from Soil to Wheat Grain.

    Directory of Open Access Journals (Sweden)

    Ke Liu

    Full Text Available The transfer of Pb from the soil to crops is a serious food hygiene security problem in China because of industrial, agricultural, and historical contamination. In this study, the characteristics of exogenous Pb transfer from 17 Chinese soils to a popular wheat variety (Xiaoyan 22 were investigated. In addition, bioaccumulation prediction models of Pb in grain were obtained based on soil properties. The results of the analysis showed that pH and OC were the most important factors contributing to Pb uptake by wheat grain. Using a cross-species extrapolation approach, the Pb uptake prediction models for cultivar Xiaoyan 22 in different soil Pb levels were satisfactorily applied to six additional non-modeled wheat varieties to develop a prediction model for each variety. Normalization of the bioaccumulation factor (BAF to specific soil physico-chemistry is essential, because doing so could significantly reduce the intra-species variation of different wheat cultivars in predicted Pb transfer and eliminate the influence of soil properties on ecotoxicity parameters for organisms of interest. Finally, the prediction models were successfully verified against published data (including other wheat varieties and crops and used to evaluate the ecological risk of Pb for wheat in contaminated agricultural soils.

  4. Effects of excessive grain growth on the magnetic and mechanical properties of hot-deformed NdFeB magnets

    Energy Technology Data Exchange (ETDEWEB)

    Lin, M., E-mail: linm@nimte.ac.c [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Material Technology and Engineering Chinese Academy of Science, Ningbo 315201 (China); Wang, H.J. [Division of Functional Materials, Central Iron and Steel Research Institute, Beijing 100081 (China); Yi, P.P.; Yan, A.R. [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Material Technology and Engineering Chinese Academy of Science, Ningbo 315201 (China)

    2010-08-15

    The magnetic and mechanical properties of rare-earth magnets hot-deformed at temperature range 750-950 deg. C have been investigated. The grains tended to grow excessively from dozens of nanometers to several microns at the temperatures above 850 deg. C. The alignment of grains was disrupted by the hot deformation at the high temperatures. The Nd-rich phase was extruded at the temperatures which are higher than 850 deg. C. The Nd-rich phase extrusion resulted in the reduction of density by 1% and the reduction of remanence from 1.42 to 0.72 T. The reduction of grain boundaries caused by flat platelet-shaped grains changing to spherical grains and the weak binding strength among large grains of Nd{sub 2}Fe{sub 14}B phase may be the main reasons for the low mechanical strength of hot-deformed magnets.

  5. Sugarcane Aphid Population Growth, Plant Injury, and Natural Enemies on Selected Grain Sorghum Hybrids in Texas and Louisiana.

    Science.gov (United States)

    Brewer, Michael J; Gordy, John W; Kerns, David L; Woolley, James B; Rooney, William L; Bowling, Robert D

    2017-10-01

    In response to the 2013 outbreak of sugarcane aphid, Melanaphis sacchari (Zehntner) (Hemiptera: Aphididae), on sorghum, Sorghum bicolor (L.), in North America, experiments were conducted at three southern U.S. grain sorghum production locations (Corpus Christi, TX; Winnsboro, LA; Rosenberg, TX). The objectives were to authenticate yield decline on susceptible hybrids (2014 and 2015) and to measure aphid population growth and natural enemy prevalence on susceptible and resistant hybrids with similar genetic background (2014). Yield decline on susceptible hybrids (Tx 2752/Tx430 and DKS53-67) was more substantial when aphid population growth accelerated quickly and peaked above 300 aphids per leaf (50 to nearly 100% yield decline). Location and year variation in maximum aphid density and cumulative aphid-days was high, with doubling time values on the susceptible hybrids ranging between 3.9 and 7.9 d. On resistant Tx2752/Tx2783, leaf injury and yield decline were not seen or less severe than on its paired susceptible Tx2752/Tx430. Aphids declined on Tx2752/Tx2783 after initial colony establishment (Corpus Christi) or took about 60% longer to double in population size when compared with Tx2572/Tx430 (Winnsboro). The predominant natural enemy taxa were aphelinid mummies (Hymenoptera: Aphelinidae), ladybird beetles (Coleoptera: Coccinellidae), and sryphid flies (Diptera: Syrphidae), and they were more prevalent during flowering than prior to flowering. They were generally responsive to changes in aphid density of both susceptible and resistant hybrids, but variability points to need for further study. In future research, full season observations should continue as well as more detailed study of potential compatibility of sorghum resistance and biological control. © The Author 2017. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  6. Characterization and Modeling of Grain Boundary Chemistry Evolution in Ferritic Steels under Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Marquis, Emmanuelle [Univ. of Michigan, Ann Arbor, MI (United States); Wirth, Brian [Univ. of Tennessee, Knoxville, TN (United States); Was, Gary [Univ. of Michigan, Ann Arbor, MI (United States)

    2016-03-28

    Ferritic/martensitic (FM) steels such as HT-9, T-91 and NF12 with chromium concentrations in the range of 9-12 at.% Cr and high Cr ferritic steels (oxide dispersion strengthened steels with 12-18% Cr) are receiving increasing attention for advanced nuclear applications, e.g. cladding and duct materials for sodium fast reactors, pressure vessels in Generation IV reactors and first wall structures in fusion reactors, thanks to their advantages over austenitic alloys. Predicting the behavior of these alloys under radiation is an essential step towards the use of these alloys. Several radiation-induced phenomena need to be taken into account, including phase separation, solute clustering, and radiation-induced segregation or depletion (RIS) to point defect sinks. RIS at grain boundaries has raised significant interest because of its role in irradiation assisted stress corrosion cracking (IASCC) and corrosion of structural materials. Numerous observations of RIS have been reported on austenitic stainless steels where it is generally found that Cr depletes at grain boundaries, consistently with Cr atoms being oversized in the fcc Fe matrix. While FM and ferritic steels are also subject to RIS at grain boundaries, unlike austenitic steels, the behavior of Cr is less clear with significant scatter and no clear dependency on irradiation condition or alloy type. In addition to the lack of conclusive experimental evidence regarding RIS in F-M alloys, there have been relatively few efforts at modeling RIS behavior in these alloys. The need for predictability of materials behavior and mitigation routes for IASCC requires elucidating the origin of the variable Cr behavior. A systematic detailed high-resolution structural and chemical characterization approach was applied to ion-implanted and neutron-irradiated model Fe-Cr alloys containing from 3 to 18 at.% Cr. Atom probe tomography analyses of the microstructures revealed slight Cr clustering and segregation to dislocations and

  7. Modelling and characterization of chi-phase grain boundary precipitation during aging of Fe-Cr-Ni-Mo stainless steel

    International Nuclear Information System (INIS)

    Xu, W.; San Martin, D.; Rivera Diaz del Castillo, P.E.J.; Zwaag, S. van der

    2007-01-01

    High molybdenum stainless steels may contain the chi-phase precipitate (χ, Fe 36 Cr 12 Mo 10 ) which may lead to undesirable effects on strength, toughness and corrosion resistance. In the present work, specimens of a 12Cr-9Ni-4Mo wt% steel are heat treated at different temperatures and times, and the average particle size and particle size distribution of chi-phase precipitate are studied quantitatively. A computer model based on the KWN framework has been developed to describe the evolution of chi-phase precipitation. The kinetic model takes advantage of the KWN model to describe the precipitate particle size distribution, and is coupled with the thermodynamic software ThermoCalc for calculating the instantaneous local thermodynamic equilibrium condition at the interface and the driving force for nucleation. A modified version of Zener's theory accounting for capillarity effects at early growth stages is implemented in this model. The prediction of the model for chi-phase precipitation at a grain boundary is compared to experimental results and both the average particle size and the particle size distribution are found to be in good agreement with experimental observations at late precipitation stages

  8. Updated stomatal flux and flux-effect models for wheat for quantifying effects of ozone on grain yield, grain mass and protein yield.

    Science.gov (United States)

    Grünhage, Ludger; Pleijel, Håkan; Mills, Gina; Bender, Jürgen; Danielsson, Helena; Lehmann, Yvonne; Castell, Jean-Francois; Bethenod, Olivier

    2012-06-01

    Field measurements and open-top chamber experiments using nine current European winter wheat cultivars provided a data set that was used to revise and improve the parameterisation of a stomatal conductance model for wheat, including a revised value for maximum stomatal conductance and new functions for phenology and soil moisture. For the calculation of stomatal conductance for ozone a diffusivity ratio between O(3) and H(2)O in air of 0.663 was applied, based on a critical review of the literature. By applying the improved parameterisation for stomatal conductance, new flux-effect relationships for grain yield, grain mass and protein yield were developed for use in ozone risk assessments including effects on food security. An example of application of the flux model at the local scale in Germany shows that negative effects of ozone on wheat grain yield were likely each year and on protein yield in most years since the mid 1980s. Copyright © 2012 Elsevier Ltd. All rights reserved.

  9. A Stochastic mesoscopic model for predicting the globular grain structure and solute redistribution in cast alloys at low superheat

    International Nuclear Information System (INIS)

    Nastac, Laurentiu; El Kaddah, Nagy

    2012-01-01

    It is well known that casting at low superheat has a strong influence on the solidification morphology and macro- and microstructures of the cast alloy. This paper describes a stochastic mesoscopic solidification model for predicting the grain structure and segregation in cast alloy at low superheat. This model was applied to predict the globular solidification morphology and size as well as solute redistribution of Al in cast Mg AZ31B alloy at superheat of 5°C produced by the Magnetic Suspension Melting (MSM) process, which is an integrated containerless induction melting and casting process. The castings produced at this low superheat have fine globular grain structure, with an average grain size of 80 μm, which is about 3 times smaller than that obtained by conventional casting techniques. The stochastic model was found to reasonably predict the observed grain structure and Al microsegregation. This makes the model a useful tool for controlling the structure of cast magnesium alloys.

  10. Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

    International Nuclear Information System (INIS)

    Vögele, Martin; Holm, Christian; Smiatek, Jens

    2015-01-01

    We present simulations of aqueous polyelectrolyte complexes with new MARTINI models for the charged polymers poly(styrene sulfonate) and poly(diallyldimethylammonium). Our coarse-grained polyelectrolyte models allow us to study large length and long time scales with regard to chemical details and thermodynamic properties. The results are compared to the outcomes of previous atomistic molecular dynamics simulations and verify that electrostatic properties are reproduced by our MARTINI coarse-grained approach with reasonable accuracy. Structural similarity between the atomistic and the coarse-grained results is indicated by a comparison between the pair radial distribution functions and the cumulative number of surrounding particles. Our coarse-grained models are able to quantitatively reproduce previous findings like the correct charge compensation mechanism and a reduced dielectric constant of water. These results can be interpreted as the underlying reason for the stability of polyelectrolyte multilayers and complexes and validate the robustness of the proposed models

  11. Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

    Energy Technology Data Exchange (ETDEWEB)

    Vögele, Martin [Institute for Computational Physics, University of Stuttgart, Stuttgart (Germany); Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Frankfurt a. M. (Germany); Holm, Christian; Smiatek, Jens, E-mail: smiatek@icp.uni-stuttgart.de [Institute for Computational Physics, University of Stuttgart, Stuttgart (Germany)

    2015-12-28

    We present simulations of aqueous polyelectrolyte complexes with new MARTINI models for the charged polymers poly(styrene sulfonate) and poly(diallyldimethylammonium). Our coarse-grained polyelectrolyte models allow us to study large length and long time scales with regard to chemical details and thermodynamic properties. The results are compared to the outcomes of previous atomistic molecular dynamics simulations and verify that electrostatic properties are reproduced by our MARTINI coarse-grained approach with reasonable accuracy. Structural similarity between the atomistic and the coarse-grained results is indicated by a comparison between the pair radial distribution functions and the cumulative number of surrounding particles. Our coarse-grained models are able to quantitatively reproduce previous findings like the correct charge compensation mechanism and a reduced dielectric constant of water. These results can be interpreted as the underlying reason for the stability of polyelectrolyte multilayers and complexes and validate the robustness of the proposed models.

  12. Grain boundary selective oxidation and intergranular stress corrosion crack growth of high-purity nickel binary alloys in high-temperature hydrogenated water

    Energy Technology Data Exchange (ETDEWEB)

    Bruemmer, S. M.; Olszta, M. J.; Toloczko, M. B.; Schreiber, D. K.

    2018-02-01

    The effects of alloying elements in Ni-5at%X binary alloys on intergranular (IG) corrosion and stress corrosion cracking (SCC) have been assessed in 300-360°C hydrogenated water at the Ni/NiO stability line. Alloys with Cr or Al additions exhibited grain boundary oxidation and IGSCC, while localized degradation was not observed for pure Ni, Ni-Cu or Ni-Fe alloys. Environment-enhanced crack growth was determined by comparing the response in water and N2 gas. Results demonstrate that selective grain boundary oxidation of Cr and Al promoted IGSCC of these Ni alloys in hydrogenated water.

  13. IMPROVING THE MODEL OF EMISSION FROM SPINNING DUST: EFFECTS OF GRAIN WOBBLING AND TRANSIENT SPIN-UP

    International Nuclear Information System (INIS)

    Hoang, Thiem; Lazarian, A.; Draine, B. T.

    2010-01-01

    Observations continue to support the interpretation of the anomalous microwave foreground as electric dipole radiation from spinning dust grains as proposed by Draine and Lazarian. In this paper, we present a refinement of the original model by improving the treatment of a number of physical effects. First, we consider a disk-like grain rotating with angular velocity at an arbitrary angle with respect to the grain symmetry axis (i.e., grain wobbling) and derive the rotational damping and excitation coefficients arising from infrared emission, plasma-grain interactions, and electric dipole emission. The angular velocity distribution and the electric dipole emission spectrum for disk-like grains is calculated using the Langevin equation, for cases both with and without fast internal relaxation. Our results show that for fast internal relaxation, the peak emissivity of spinning dust, compared to earlier studies, increases by a factor of ∼2 for the warm neutral medium (WNM), the warm ionized medium (WIM), the cold neutral medium (CNM), and the photodissociation region, and by a factor ∼4 for reflection nebulae. The frequency at the emission peak also increases by factors ∼1.4 to ∼2 for these media. Without internal relaxation, the increase of emissivity is comparable, but the emission spectrum is more extended to higher frequency. The increased emission results from the non-sphericity of grain shape and from the anisotropy in damping and excitation along directions parallel and perpendicular to the grain symmetry axis. Second, we provide a detailed numerical study including transient spin-up of grains by single-ion collisions. The range of grain size in which single-ion collisions are important is identified. The impulses broaden the emission spectrum and increase the peak emissivity for the CNM, WNM, and WIM, although the increases are not as large as those due to the grain wobbling. In addition, we present an improved treatment of rotational excitation and

  14. Simulation of Silver Thin Films' Growth and Influence of Deposition Rate on Final Grain Size under Angle Flux and Standard Situation

    Directory of Open Access Journals (Sweden)

    Maryam Jamshidnejad

    2011-01-01

    Full Text Available In this paper, a 2D stimulation model, FACET, is used for investigation of the relation between micro structure and deposition conditions such as substrate temperature, deposition rate and deposition angle of Ag thin films. It is observed that by increasing the deposition rate in standard conditions providing that the temperature of substrate is low, the average of final grain size is decreased. While, in deposition with angle flux the average of final grain size is increased.

  15. Development of DPD coarse-grained models: From bulk to interfacial properties

    Energy Technology Data Exchange (ETDEWEB)

    Solano Canchaya, José G.; Dequidt, Alain, E-mail: alain.dequidt@univ-bpclermont.fr; Goujon, Florent; Malfreyt, Patrice [Institut de Chimie de Clermont-Ferrand, Université Blaise Pascal, Université Clermont Auvergne, BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6296, ICCF, F-63178 Aubiere (France)

    2016-08-07

    A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from constant-NPT atomistic simulations of bulk liquid phases and we apply the CG-DPD model to the calculation of the surface tension of the liquid-vapor interface over a large range of temperatures. The coexisting densities, vapor pressures, and surface tensions calculated with different CG and atomistic models are compared to experiments. Depending on the database used for the development of the potentials, it is possible to build a CG model which performs very well in the reproduction of the surface tension on the orthobaric curve.

  16. Nonlinear Growth Models as Measurement Models: A Second-Order Growth Curve Model for Measuring Potential.

    Science.gov (United States)

    McNeish, Daniel; Dumas, Denis

    2017-01-01

    Recent methodological work has highlighted the promise of nonlinear growth models for addressing substantive questions in the behavioral sciences. In this article, we outline a second-order nonlinear growth model in order to measure a critical notion in development and education: potential. Here, potential is conceptualized as having three components-ability, capacity, and availability-where ability is the amount of skill a student is estimated to have at a given timepoint, capacity is the maximum amount of ability a student is predicted to be able to develop asymptotically, and availability is the difference between capacity and ability at any particular timepoint. We argue that single timepoint measures are typically insufficient for discerning information about potential, and we therefore describe a general framework that incorporates a growth model into the measurement model to capture these three components. Then, we provide an illustrative example using the public-use Early Childhood Longitudinal Study-Kindergarten data set using a Michaelis-Menten growth function (reparameterized from its common application in biochemistry) to demonstrate our proposed model as applied to measuring potential within an educational context. The advantage of this approach compared to currently utilized methods is discussed as are future directions and limitations.

  17. Forest growth modeling in the Southern Region, National Forest System

    International Nuclear Information System (INIS)

    Belcher, D.M.

    1988-01-01

    This paper discusses an attempt to combine individual tree growth models and stand level growth models currently available for the Region into one computer program. Operation of the program is explained and growth models are included

  18. Localisation in a Growth Model with Interaction

    Science.gov (United States)

    Costa, M.; Menshikov, M.; Shcherbakov, V.; Vachkovskaia, M.

    2018-05-01

    This paper concerns the long term behaviour of a growth model describing a random sequential allocation of particles on a finite cycle graph. The model can be regarded as a reinforced urn model with graph-based interaction. It is motivated by cooperative sequential adsorption, where adsorption rates at a site depend on the configuration of existing particles in the neighbourhood of that site. Our main result is that, with probability one, the growth process will eventually localise either at a single site, or at a pair of neighbouring sites.

  19. Principal component analysis acceleration of rovibrational coarse-grain models for internal energy excitation and dissociation

    Science.gov (United States)

    Bellemans, Aurélie; Parente, Alessandro; Magin, Thierry

    2018-04-01

    The present work introduces a novel approach for obtaining reduced chemistry representations of large kinetic mechanisms in strong non-equilibrium conditions. The need for accurate reduced-order models arises from compression of large ab initio quantum chemistry databases for their use in fluid codes. The method presented in this paper builds on existing physics-based strategies and proposes a new approach based on the combination of a simple coarse grain model with Principal Component Analysis (PCA). The internal energy levels of the chemical species are regrouped in distinct energy groups with a uniform lumping technique. Following the philosophy of machine learning, PCA is applied on the training data provided by the coarse grain model to find an optimally reduced representation of the full kinetic mechanism. Compared to recently published complex lumping strategies, no expert judgment is required before the application of PCA. In this work, we will demonstrate the benefits of the combined approach, stressing its simplicity, reliability, and accuracy. The technique is demonstrated by reducing the complex quantum N2(g+1Σ) -N(S4u ) database for studying molecular dissociation and excitation in strong non-equilibrium. Starting from detailed kinetics, an accurate reduced model is developed and used to study non-equilibrium properties of the N2(g+1Σ) -N(S4u ) system in shock relaxation simulations.

  20. On the Effect of Sphere-Overlap on Super Coarse-Grained Models of Protein Assemblies

    Science.gov (United States)

    Degiacomi, Matteo T.

    2018-05-01

    Ion mobility mass spectrometry (IM/MS) can provide structural information on intact protein complexes. Such data, including connectivity and collision cross sections (CCS) of assemblies' subunits, can in turn be used as a guide to produce representative super coarse-grained models. These models are constituted by ensembles of overlapping spheres, each representing a protein subunit. A model is considered plausible if the CCS and sphere-overlap levels of its subunits fall within predetermined confidence intervals. While the first is determined by experimental error, the latter is based on a statistical analysis on a range of protein dimers. Here, we first propose a new expression to describe the overlap between two spheres. Then we analyze the effect of specific overlap cutoff choices on the precision and accuracy of super coarse-grained models. Finally, we propose a method to determine overlap cutoff levels on a per-case scenario, based on collected CCS data, and show that it can be applied to the characterization of the assembly topology of symmetrical homo-multimers. [Figure not available: see fulltext.

  1. A sandpile model of grain blocking and consequences for sediment dynamics in step-pool streams

    Science.gov (United States)

    Molnar, P.

    2012-04-01

    Coarse grains (cobbles to boulders) are set in motion in steep mountain streams by floods with sufficient energy to erode the particles locally and transport them downstream. During transport, grains are often blocked and form width-spannings structures called steps, separated by pools. The step-pool system is a transient, self-organizing and self-sustaining structure. The temporary storage of sediment in steps and the release of that sediment in avalanche-like pulses when steps collapse, leads to a complex nonlinear threshold-driven dynamics in sediment transport which has been observed in laboratory experiments (e.g., Zimmermann et al., 2010) and in the field (e.g., Turowski et al., 2011). The basic question in this paper is if the emergent statistical properties of sediment transport in step-pool systems may be linked to the transient state of the bed, i.e. sediment storage and morphology, and to the dynamics in sediment input. The hypothesis is that this state, in which sediment transporting events due to the collapse and rebuilding of steps of all sizes occur, is analogous to a critical state in self-organized open dissipative dynamical systems (Bak et al., 1988). To exlore the process of self-organization, a cellular automaton sandpile model is used to simulate the processes of grain blocking and hydraulically-driven step collapse in a 1-d channel. Particles are injected at the top of the channel and are allowed to travel downstream based on various local threshold rules, with the travel distance drawn from a chosen probability distribution. In sandpile modelling this is a simple 1-d limited non-local model, however it has been shown to have nontrivial dynamical behaviour (Kadanoff et al., 1989), and it captures the essence of stochastic sediment transport in step-pool systems. The numerical simulations are used to illustrate the differences between input and output sediment transport rates, mainly focussing on the magnification of intermittency and

  2. Residual Structures in Latent Growth Curve Modeling

    Science.gov (United States)

    Grimm, Kevin J.; Widaman, Keith F.

    2010-01-01

    Several alternatives are available for specifying the residual structure in latent growth curve modeling. Two specifications involve uncorrelated residuals and represent the most commonly used residual structures. The first, building on repeated measures analysis of variance and common specifications in multilevel models, forces residual variances…

  3. Investigation of Water Dynamics and the Effect of Evapotranspiration on Grain Yield of Rainfed Wheat and Barley under a Mediterranean Environment: A Modelling Approach.

    Science.gov (United States)

    Zhang, Kefeng; Bosch-Serra, Angela D; Boixadera, Jaume; Thompson, Andrew J

    2015-01-01

    Agro-hydrological models have increasingly become useful and powerful tools in optimizing water and fertilizer application, and in studying the environmental consequences. Accurate prediction of water dynamics in such models is essential for models to produce reasonable results. In this study, detailed simulations were performed for water dynamics of rainfed winter wheat and barley grown under a Mediterranean climate over a 10-year period. The model employed (Yang et al., 2009. J. Hydrol., 370, 177-190) uses easily available agronomic data, and takes into consideration of all key soil and plant processes in controlling water dynamics in the soil-crop system, including the dynamics of root growth. The water requirement for crop growth was calculated according to the FAO56, and the soil hydraulic properties were estimated using peto-transfer functions (PTFs) based on soil physical properties and soil organic matter content. Results show that the simulated values of soil water content at the depths of 15, 45 and 75 cm agreed with the measurements well with the root of the mean squared errors of 0.027 cm(3) cm(-3) and the model agreement index of 0.875. The simulated seasonal evapotranspiration (ET) ranged from 208 to 388 mm, and grain yield was found to correlate with the simulated seasonal ET in a linear manner within the studied ET range. The simulated rates of grain yield increase were 17.3 and 23.7 kg ha(-l) for every mm of water evapotranspired for wheat and barley, respectively. The good agreement of soil water content between measurement and simulation and the simulated relationships between grain yield and seasonal ET supported by the data in the literature indicates that the model performed well in modelling water dynamics for the studied soil-crop system, and therefore has the potential to be applied reliably and widely in precision agriculture. Finally, a two-staged approach using inverse modelling techniques to further improve model performance was

  4. Thermal models pertaining to continental growth

    International Nuclear Information System (INIS)

    Morgan, P.; Ashwal, L.

    1988-01-01

    Thermal models are important to understanding continental growth as the genesis, stabilization, and possible recycling of continental crust are closely related to the tectonic processes of the earth which are driven primarily by heat. The thermal energy budget of the earth was slowly decreasing since core formation, and thus the energy driving the terrestrial tectonic engine was decreasing. This fundamental observation was used to develop a logic tree defining the options for continental growth throughout earth history

  5. Structural modelling of economic growth: Technological changes

    Directory of Open Access Journals (Sweden)

    Sukharev Oleg

    2016-01-01

    Full Text Available Neoclassical and Keynesian theories of economic growth assume the use of Cobb-Douglas modified functions and other aggregate econometric approaches to growth dynamics modelling. In that case explanations of economic growth are based on the logic of the used mathematical ratios often including the ideas about aggregated values change and factors change a priori. The idea of assessment of factor productivity is the fundamental one among modern theories of economic growth. Nevertheless, structural parameters of economic system, institutions and technological changes are practically not considered within known approaches, though the latter is reflected in the changing parameters of production function. At the same time, on the one hand, the ratio of structural elements determines the future value of the total productivity of the factors and, on the other hand, strongly influences the rate of economic growth and its mode of innovative dynamics. To put structural parameters of economic system into growth models with the possibility of assessment of such modes under conditions of interaction of new and old combinations is an essential step in the development of the theory of economic growth/development. It allows forming stimulation policy of economic growth proceeding from the structural ratios and relations recognized for this economic system. It is most convenient in such models to use logistic functions demonstrating the resource change for old and new combination within the economic system. The result of economy development depends on starting conditions, and on institutional parameters of velocity change of resource borrowing in favour of a new combination and creation of its own resource. Model registration of the resource is carried out through the idea of investments into new and old combinations.

  6. Multitrait, Random Regression, or Simple Repeatability Model in High-Throughput Phenotyping Data Improve Genomic Prediction for Wheat Grain Yield.

    Science.gov (United States)

    Sun, Jin; Rutkoski, Jessica E; Poland, Jesse A; Crossa, José; Jannink, Jean-Luc; Sorrells, Mark E

    2017-07-01

    High-throughput phenotyping (HTP) platforms can be used to measure traits that are genetically correlated with wheat ( L.) grain yield across time. Incorporating such secondary traits in the multivariate pedigree and genomic prediction models would be desirable to improve indirect selection for grain yield. In this study, we evaluated three statistical models, simple repeatability (SR), multitrait (MT), and random regression (RR), for the longitudinal data of secondary traits and compared the impact of the proposed models for secondary traits on their predictive abilities for grain yield. Grain yield and secondary traits, canopy temperature (CT) and normalized difference vegetation index (NDVI), were collected in five diverse environments for 557 wheat lines with available pedigree and genomic information. A two-stage analysis was applied for pedigree and genomic selection (GS). First, secondary traits were fitted by SR, MT, or RR models, separately, within each environment. Then, best linear unbiased predictions (BLUPs) of secondary traits from the above models were used in the multivariate prediction models to compare predictive abilities for grain yield. Predictive ability was substantially improved by 70%, on average, from multivariate pedigree and genomic models when including secondary traits in both training and test populations. Additionally, (i) predictive abilities slightly varied for MT, RR, or SR models in this data set, (ii) results indicated that including BLUPs of secondary traits from the MT model was the best in severe drought, and (iii) the RR model was slightly better than SR and MT models under drought environment. Copyright © 2017 Crop Science Society of America.

  7. Evaluation of local stress and local hydrogen concentration at grain boundary using three-dimensional polycrystalline model

    International Nuclear Information System (INIS)

    Ebihara, Ken-ichi; Itakura, Mitsuhiro; Yamaguchi, Masatake; Kaburaki, Hideo; Suzudo, Tomoaki

    2010-01-01

    The decohesion model in which hydrogen segregating at grain boundaries reduces cohesive energy is considered to explain hydrogen embrittlement. Although there are several experimental and theoretical supports of this model, its total process is still unclear. In order to understand hydrogen embrittlement in terms of the decohesion model, therefore, it is necessary to evaluate stress and hydrogen concentration at grain boundaries under experimental conditions and to verify the grain boundary decohesion process. Under this consideration, we evaluated the stress and the hydrogen concentration at grain boundaries in the three-dimensional polycrystalline model which was generated by the random Voronoi tessellation. The crystallographic anisotropy was given to each grain. As the boundary conditions of the calculations, data extracted from the results calculated in the notched round-bar specimen model under the tensile test condition in which fracture of the steel specimen is observed was given to the polycrystalline model. As a result, it was found that the evaluated stress does not reach the fracture stress which was estimated under the condition of the evaluated hydrogen concentration by first principles calculations. Therefore, it was considered that the initiation of grain boundary fracture needs other factors except the stress concentration due to the crystallographic anisotropy. (author)

  8. Effects of partial replacement of corn grain with lactose in calf starters on ruminal fermentation and growth performance.

    Science.gov (United States)

    Saegusa, A; Inouchi, K; Ueno, M; Inabu, Y; Koike, S; Sugino, T; Oba, M

    2017-08-01

    The objective of this study was to evaluate effects of partial replacement of dry ground corn with lactose in calf starters on dry matter intake, growth rate, ruminal pH, and volatile fatty acid profile. Sixty Holstein bull calves were raised on a high plane of nutrition program until 55 d of age. Calves were fed texturized calf starters containing 30.1% steam-flaked grains and lactose at 0 (control), 5, or 10% (n = 20 for each treatment) on a dry matter basis. All calves were fed treatment calf starters ad libitum from d 7 and kleingrass hay from d 35. Ruminal pH was measured continuously immediately after weaning (d 55-62) for 15 calves (n = 5 per treatment), and 3 wk after weaning (d 77 to 80) for the other 45 calves (n = 15 per treatment). Dry matter intake, growth performance, and ruminal pH variables were not affected by treatment. However, according to Spearman's correlation coefficient (r s ) analyses, lactose intake was positively correlated with dairy minimum ruminal pH (r s = 0.306) for the data collected from d 77 to 80. Similarly, hay intake was not affected by treatment, but positively correlated with daily mean (r s = 0.338) and maximum ruminal pH (r s = 0.408) and negatively correlated with duration pH lactose than control (35.3 vs. 40.2%) for ruminal fluid collected on d 80; however, molar ratio of butyrate was not affected by treatment. These results indicate that lactose inclusion in calf starters up to 10% of dry matter might not affect dry matter intake and growth performance of calves, but that greater lactose and hay intake might be associated with higher ruminal pH. The Authors. Published by the Federation of Animal Science Societies and Elsevier Inc. on behalf of the American Dairy Science Association®. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).

  9. Feasibility Assessment of a Fine-Grained Access Control Model on Resource Constrained Sensors.

    Science.gov (United States)

    Uriarte Itzazelaia, Mikel; Astorga, Jasone; Jacob, Eduardo; Huarte, Maider; Romaña, Pedro

    2018-02-13

    Upcoming smart scenarios enabled by the Internet of Things (IoT) envision smart objects that provide services that can adapt to user behavior or be managed to achieve greater productivity. In such environments, smart things are inexpensive and, therefore, constrained devices. However, they are also critical components because of the importance of the information that they provide. Given this, strong security is a requirement, but not all security mechanisms in general and access control models in particular are feasible. In this paper, we present the feasibility assessment of an access control model that utilizes a hybrid architecture and a policy language that provides dynamic fine-grained policy enforcement in the sensors, which requires an efficient message exchange protocol called Hidra. This experimental performance assessment includes a prototype implementation, a performance evaluation model, the measurements and related discussions, which demonstrate the feasibility and adequacy of the analyzed access control model.

  10. Fine‐Grained Mobile Application Clustering Model Using Retrofitted Document Embedding

    Directory of Open Access Journals (Sweden)

    Yeo‐Chan Yoon

    2017-08-01

    Full Text Available In this paper, we propose a fine‐grained mobile application clustering model using retrofitted document embedding. To automatically determine the clusters and their numbers with no predefined categories, the proposed model initializes the clusters based on title keywords and then merges similar clusters. For improved clustering performance, the proposed model distinguishes between an accurate clustering step with titles and an expansive clustering step with descriptions. During the accurate clustering step, an automatically tagged set is constructed as a result. This set is utilized to learn a high‐performance document vector. During the expansive clustering step, more applications are then classified using this document vector. Experimental results showed that the purity of the proposed model increased by 0.19, and the entropy decreased by 1.18, compared with the K‐means algorithm. In addition, the mean average precision improved by more than 0.09 in a comparison with a support vector machine classifier.

  11. A statistical mixture model for estimating the proportion of unreduced pollen grains in perennial ryegrass (Lolium perenne L.) via the size of pollen grains

    NARCIS (Netherlands)

    Jansen, R.C.; Nijs, A.P.M. den

    1993-01-01

    The size of pollen grains is commonly used to indicate the ploidy level of pollen grains. In this paper observations of the diameter of pollen grains are evaluated from one diploid accession of perennial ryegrass (Lolium perenne L.), which was expected to produce diploid (unreduced) pollen grains in

  12. In silico modeling for tumor growth visualization.

    Science.gov (United States)

    Jeanquartier, Fleur; Jean-Quartier, Claire; Cemernek, David; Holzinger, Andreas

    2016-08-08

    Cancer is a complex disease. Fundamental cellular based studies as well as modeling provides insight into cancer biology and strategies to treatment of the disease. In silico models complement in vivo models. Research on tumor growth involves a plethora of models each emphasizing isolated aspects of benign and malignant neoplasms. Biologists and clinical scientists are often overwhelmed by the mathematical background knowledge necessary to grasp and to apply a model to their own research. We aim to provide a comprehensive and expandable simulation tool to visualizing tumor growth. This novel Web-based application offers the advantage of a user-friendly graphical interface with several manipulable input variables to correlate different aspects of tumor growth. By refining model parameters we highlight the significance of heterogeneous intercellular interactions on tumor progression. Within this paper we present the implementation of the Cellular Potts Model graphically presented through Cytoscape.js within a Web application. The tool is available under the MIT license at https://github.com/davcem/cpm-cytoscape and http://styx.cgv.tugraz.at:8080/cpm-cytoscape/ . In-silico methods overcome the lack of wet experimental possibilities and as dry method succeed in terms of reduction, refinement and replacement of animal experimentation, also known as the 3R principles. Our visualization approach to simulation allows for more flexible usage and easy extension to facilitate understanding and gain novel insight. We believe that biomedical research in general and research on tumor growth in particular will benefit from the systems biology perspective.

  13. The proportion of nitrate in leaf nitrogen, but not changes in root growth, are associated with decreased grain protein in wheat under elevated [CO2].

    Science.gov (United States)

    Bahrami, Helale; De Kok, Luit J; Armstrong, Roger; Fitzgerald, Glenn J; Bourgault, Maryse; Henty, Samuel; Tausz, Michael; Tausz-Posch, Sabine

    2017-09-01

    The atmospheric CO 2 concentration ([CO 2 ]) is increasing and predicted to reach ∼550ppm by 2050. Increasing [CO 2 ] typically stimulates crop growth and yield, but decreases concentrations of nutrients, such as nitrogen ([N]), and therefore protein, in plant tissues and grains. Such changes in grain composition are expected to have negative implications for the nutritional and economic value of grains. This study addresses two mechanisms potentially accountable for the phenomenon of elevated [CO 2 ]-induced decreases in [N]: N uptake per unit length of roots as well as inhibition of the assimilation of nitrate (NO 3 - ) into protein are investigated and related to grain protein. We analysed two wheat cultivars from a similar genetic background but contrasting in agronomic features (Triticum aestivum L. cv. Scout and Yitpi). Plants were field-grown within the Australian Grains Free Air CO 2 Enrichment (AGFACE) facility under two atmospheric [CO 2 ] (ambient, ∼400ppm, and elevated, ∼550ppm) and two water treatments (rain-fed and well-watered). Aboveground dry weight (ADW) and root length (RL, captured by a mini-rhizotron root growth monitoring system), as well as [N] and NO 3 - concentrations ([NO 3 - ]) were monitored throughout the growing season and related to grain protein at harvest. RL generally increased under e[CO 2 ] and varied between water supply and cultivars. The ratio of total aboveground N (TN) taken up per RL was affected by CO 2 treatment only later in the season and there was no significant correlation between TN/RL and grain protein concentration across cultivars and [CO 2 ] treatments. In contrast, a greater percentage of N remained as unassimilated [NO 3 - ] in the tissue of e[CO 2 ] grown crops (expressed as the ratio of NO 3 - to total N) and this was significantly correlated with decreased grain protein. These findings suggest that e[CO 2 ] directly affects the nitrate assimilation capacity of wheat with direct negative implications

  14. The ELBA force field for coarse-grain modeling of lipid membranes.

    Directory of Open Access Journals (Sweden)

    Mario Orsi

    Full Text Available A new coarse-grain model for molecular dynamics simulation of lipid membranes is presented. Following a simple and conventional approach, lipid molecules are modeled by spherical sites, each representing a group of several atoms. In contrast to common coarse-grain methods, two original (interdependent features are here adopted. First, the main electrostatics are modeled explicitly by charges and dipoles, which interact realistically through a relative dielectric constant of unity (ε(r = 1. Second, water molecules are represented individually through a new parametrization of the simple Stockmayer potential for polar fluids; each water molecule is therefore described by a single spherical site embedded with a point dipole. The force field is shown to accurately reproduce the main physical properties of single-species phospholipid bilayers comprising dioleoylphosphatidylcholine (DOPC and dioleoylphosphatidylethanolamine (DOPE in the liquid crystal phase, as well as distearoylphosphatidylcholine (DSPC in the liquid crystal and gel phases. Insights are presented into fundamental properties and phenomena that can be difficult or impossible to study with alternative computational or experimental methods. For example, we investigate the internal pressure distribution, dipole potential, lipid diffusion, and spontaneous self-assembly. Simulations lasting up to 1.5 microseconds were conducted for systems of different sizes (128, 512 and 1058 lipids; this also allowed us to identify size-dependent artifacts that are expected to affect membrane simulations in general. Future extensions and applications are discussed, particularly in relation to the methodology's inherent multiscale capabilities.

  15. Coarse-grained model for the interconversion between different crystalline cellulose allomorphs

    Energy Technology Data Exchange (ETDEWEB)

    Langan, Paul [ORNL

    2012-01-01

    We present the results of Langevin dynamics simulations on a coarse grained model for crystalline cellulose. In particular, we analyze two different cellulose crystalline forms: cellulose I (the natural form of cellulose) and cellulose IIII (obtained after cellulose I is treated with anhydrous liquid ammonia). Cellulose IIII has been the focus of wide interest in the field of cellulosic biofuels as it can be efficiently hydrolyzed to glucose (its enzymatic degradation rates are up to 5 fold higher than those of cellulose I ). In turn, glucose can eventually be fermented into fuels. The coarse-grained model presented in this study is based on a simplified geometry and on an effective potential mimicking the changes in both intracrystalline hydrogen bonds and stacking interactions during the transition from cellulose I to cellulose IIII. The model accurately reproduces both structural and thermomechanical properties of cellulose I and IIII. The work presented herein describes the structural transition from cellulose I to cellulose IIII as driven by the change in the equilibrium state of two degrees of freedom in the cellulose chains. The structural transition from cellulose I to cellulose IIII is essentially reduced to a search for optimal spatial arrangement of the cellulose chains.

  16. Deep learning-based fine-grained car make/model classification for visual surveillance

    Science.gov (United States)

    Gundogdu, Erhan; Parıldı, Enes Sinan; Solmaz, Berkan; Yücesoy, Veysel; Koç, Aykut

    2017-10-01

    Fine-grained object recognition is a potential computer vision problem that has been recently addressed by utilizing deep Convolutional Neural Networks (CNNs). Nevertheless, the main disadvantage of classification methods relying on deep CNN models is the need for considerably large amount of data. In addition, there exists relatively less amount of annotated data for a real world application, such as the recognition of car models in a traffic surveillance system. To this end, we mainly concentrate on the classification of fine-grained car make and/or models for visual scenarios by the help of two different domains. First, a large-scale dataset including approximately 900K images is constructed from a website which includes fine-grained car models. According to their labels, a state-of-the-art CNN model is trained on the constructed dataset. The second domain that is dealt with is the set of images collected from a camera integrated to a traffic surveillance system. These images, which are over 260K, are gathered by a special license plate detection method on top of a motion detection algorithm. An appropriately selected size of the image is cropped from the region of interest provided by the detected license plate location. These sets of images and their provided labels for more than 30 classes are employed to fine-tune the CNN model which is already trained on the large scale dataset described above. To fine-tune the network, the last two fully-connected layers are randomly initialized and the remaining layers are fine-tuned in the second dataset. In this work, the transfer of a learned model on a large dataset to a smaller one has been successfully performed by utilizing both the limited annotated data of the traffic field and a large scale dataset with available annotations. Our experimental results both in the validation dataset and the real field show that the proposed methodology performs favorably against the training of the CNN model from scratch.

  17. Comparison of atomic-level and coarse-grained models for liquid hydrocarbons from molecular dynamics configurational entropy estimates

    NARCIS (Netherlands)

    Baron, R; de Vries, AH; Hunenberger, PH; van Gunsteren, WF

    2006-01-01

    Molecular liquids can be modeled at different levels of spatial resolution. In atomic-level (AL) models, all (heavy) atoms can be explicitly simulated. In coarse-grained (CG) models, particles (beads) that represent groups of covalently bound atoms are used as elementary units. Ideally, a CG model

  18. The effect of secondary abnormal grain growth on the dielectric properties of La/Mn co-doped BaTiO3 ceramics

    Directory of Open Access Journals (Sweden)

    Živković Lj.M.

    2006-01-01

    Full Text Available La/Mn-codoped BaTiO3 systems, obtained by solid state reactions, were investigated regarding their microstructure characteristics and ferroelectric properties. Different concentrations of La2O3 were used for doping, ranging from 0.1 to 5.0 at% La, while a content of Mn was constant at 0.05 at%. For all samples sintered below the eutectic temperature (1332°C, a uniform microstructure was formed with average grain size from 1-3 μm. The appearance of secondary abnormal grains with (111 double twins grains with curved or faceted grain boundaries were observed in La/Mn BaTiO3 ceramics after sintering at temperatures above the eutectic temperature. All sintered samples exhibited a high electrical resistivity. Better dielectric performances were obtained for low doped samples (0.1 at% La sintered at 1350°C. For samples with La content above 1.0 at% a lower value in dielectric permittivity at higher sintering temperature is due to secondary abnormal grain growth, and to the presence of a non-ferroelectric phase rich in La. The Curie constant together with other dielectric parameters were also calculated.

  19. The heliocentric evolution of cometary infrared spectra - Results from an organic grain model

    Science.gov (United States)

    Chyba, Christopher F.; Sagan, Carl; Mumma, Michael J.

    1989-01-01

    An emission feature peaking near 3.4 microns that is typical of C-H stretching in hydrocarbons and which fits a simple, two-component thermal emission model for dust in the cometary coma, has been noted in observations of Comets Halley and Wilson. A noteworthy consequence of this modeling is that, at about 1 AU, emission features at wavelengths longer than 3.4 microns come to be 'diluted' by continuum emission. A quantitative development of the model shows it to agree with observational data for Comet Halley for certain, plausible values of the optical constants; the observed heliocentric evolution of the 3.4-micron feature thereby furnishes information on the composition of the comet's organic grains.

  20. Developing ISM Dust Grain Models with Precision Elemental Abundances from IXO

    Science.gov (United States)

    Valencic, L. A.; Smith, R. K.; Juet, A.

    2009-01-01

    The exact nature of interstellar dust grains in the Galaxy remains mysterious, despite their ubiquity. Many viable models exist, based on available IR-UV data and assumed elemental abundances. However, the abundances, which are perhaps the most stringent constraint, are not well known: modelers must use proxies in the absence of direct measurements for the diffuse interstellar medium (ISM). Recent revisions of these proxy values have only added to confusion over which is the best representative for the diffuse ISM, and highlighted the need for direct, high signal-to-noise measurements from the ISM itself. The International X-ray Observatory's superior facilities will enable high-precision elemental abundance measurements. We ill show how these results will measure both the overall ISM abundances and challenge dust models, allowing us to construct a more realistic picture of the ISM.

  1. A Coarse-Grained Biophysical Model of E. coli and Its Application to Perturbation of the rRNA Operon Copy Number

    Science.gov (United States)

    Tadmor, Arbel

    2009-03-01

    In this work a biophysical model of Escherichia coli is presented that predicts growth rate and an effective cellular composition from an effective, coarse-grained representation of its genome. We assume that E. coli is in a state of balanced exponential steady-state growth, growing in a temporally and spatially constant environment, rich in resources. We apply this model to a series of past measurements, where the growth rate and rRNA-to-protein ratio have been measured for seven E. coli strains with an rRNA operon copy number ranging from one to seven (the wild-type copy number). These experiments show that growth rate markedly decreases for strains with fewer than six copies. Using the model, we were able to reproduce these measurements. We show that the model that best fits these data suggests that the volume fraction of macromolecules inside E. coli is not fixed when the rRNA operon copy number is varied. Moreover, the model predicts that increasing the copy number beyond seven results in a cytoplasm densely packed with ribosomes and proteins. Assuming that under such overcrowded conditions prolonged diffusion times tend to weaken binding affinities, the model predicts that growth rate will not increase substantially beyond the wild-type growth rate, as indicated by other experiments. Our model therefore suggests that changing the rRNA operon copy number of wild-type E. coli cells growing in a constant rich environment does not substantially increase their growth rate. Other observations regarding strains with an altered rRNA operon copy number, such as nucleoid compaction and the rRNA operon feedback response, appear to be qualitatively consistent with this model. In addition, we discuss possible design principles suggested by the model and propose further experiments to test its validity.

  2. Novel mechanisms for solid-state processing and grain growth with microstructure alignment in alnico-8 based permanent magnets

    Science.gov (United States)

    Kassen, Aaron G.; White, Emma M. H.; Hu, Liangfa; Tang, Wei; Zhou, Lin; Kramer, Matthew J.; Anderson, Iver E.

    2018-05-01

    An estimated 750,000 new hybrid electric and plug-in battery vehicles, most with permanent magnet synchronous alternating current (PMAC) drive motors, took to the road in 2016 alone. Accompanied by 40% year over year growth in the EV market significant challenges exist in producing large quantities of permanent magnets (on the order of tens of millions) for reliable, low-cost traction motors [IE Agency, Energy Technology Perspectives (2017)]. Since the rare earth permanent magnet (REPM) market is essentially 100% net import reliant in the United States and has proven to have an unstable cost and supply structure in recent years, a replacement RE-free PM material must be designed or selected, fully developed, and implemented. Alnico, with its high saturation magnetization and excellent thermal stability, appears to be uniquely suited for this task. Further, while alnico typically has been considered a relatively low coercivity hard magnet, strides have been made to increase the coercivity to levels suitable for traction drive motors [W Tang, IEEE Trans. Magn., 51 (2015)]. If a simple non-cast approach for achieving near [001] easy axis grain aligned permanent magnets can be found, this would allow mass-produced final-shape anisotropic high energy product magnets suitable for usage in compact high RPM rotor designs. Therefore, a powder metallurgical approach is being explored that uses classic compression molding with "de-bind and sinter" methods, where a novel applied uniaxial loading, and an applied magnetic field may create final-shape magnets with highly textured resulting microstructures by two different mechanisms. Results indicate a positive correlation between applied uniaxial load and resulting texture (Fig. 1), along with benefits from using an applied magnetic field for improved texture, as well. The apparent mechanisms and resulting properties will be described using closed loop hysteresisgraph measurements, EBSD orientation mapping, and high

  3. A coarse-grained model for synergistic action of multiple enzymes on cellulose

    Directory of Open Access Journals (Sweden)

    Asztalos Andrea

    2012-08-01

    Full Text Available Abstract Background Degradation of cellulose to glucose requires the cooperative action of three classes of enzymes, collectively known as cellulases. Endoglucanases randomly bind to cellulose surfaces and generate new chain ends by hydrolyzing β-1,4-D-glycosidic bonds. Exoglucanases bind to free chain ends and hydrolyze glycosidic bonds in a processive manner releasing cellobiose units. Then, β-glucosidases hydrolyze soluble cellobiose to glucose. Optimal synergistic action of these enzymes is essential for efficient digestion of cellulose. Experiments show that as hydrolysis proceeds and the cellulose substrate becomes more heterogeneous, the overall degradation slows down. As catalysis occurs on the surface of crystalline cellulose, several factors affect the overall hydrolysis. Therefore, spatial models of cellulose degradation must capture effects such as enzyme crowding and surface heterogeneity, which have been shown to lead to a reduction in hydrolysis rates. Results We present a coarse-grained stochastic model for capturing the key events associated with the enzymatic degradation of cellulose at the mesoscopic level. This functional model accounts for the mobility and action of a single cellulase enzyme as well as the synergy of multiple endo- and exo-cellulases on a cellulose surface. The quantitative description of cellulose degradation is calculated on a spatial model by including free and bound states of both endo- and exo-cellulases with explicit reactive surface terms (e.g., hydrogen bond breaking, covalent bond cleavages and corresponding reaction rates. The dynamical evolution of the system is simulated by including physical interactions between cellulases and cellulose. Conclusions Our coarse-grained model reproduces the qualitative behavior of endoglucanases and exoglucanases by accounting for the spatial heterogeneity of the cellulose surface as well as other spatial factors such as enzyme crowding. Importantly, it captures

  4. Modelling the joint variability of grain size and chemical composition in sediments

    NARCIS (Netherlands)

    Bloemsma, M.R.; Zabel, M.; Stuut, J.B.W.; Tjallingii, R.; Collins, J.A.; Weltje, G.J.

    2012-01-01

    The geochemical composition of siliciclastic sediments correlates strongly with grain size. Hence, geochemical composition may serve as a grain-size proxy. In the absence of grain-size variations, geochemical data of siliciclastic sediments may be used to characterise size-independent processes,

  5. Modelling the growth of a methanotrophic biofilm

    DEFF Research Database (Denmark)

    Arcangeli, J.-P.; Arvin, E.

    1999-01-01

    This article discusses the growth of methanotrophic biofilms. Several independent biofilm growths scenarios involving different inocula were examined. Biofilm growth, substrate removal and product formation were monitored throughout the experiments. Based on the oxygen consumption it was concluded...... that heterotrophs and nitrifiers co-existed with methanotrophs in the biofilm. Heterotrophic biomass grew on soluble polymers formed by the hydrolysis of dead biomass entrapped in the biofilm. Nitrifier populations developed because of the presence of ammonia in the mineral medium. Based on these experimental...... was performed on this model. It indicated that the most influential parameters were those related to the biofilm (i.e. density; solid-volume fraction; thickness). This suggests that in order to improve the model, further research regarding the biofilm structure and composition is needed....

  6. Thermodynamic model for grain boundary effects on hydrogen solubility, diffusivity and permeability in poly-crystalline tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Oda, Takuji, E-mail: oda@snu.ac.kr

    2016-11-15

    Highlights: • A thermodynamic model to simulate grain boundary effects on hydrogen behaviors in poly-crystalline W was established. • With this model, the effective solubility, diffusivity and permeability of hydrogen are calculated as a function of grain size. • Grain boundary significantly change the hydrogen behaviors in poly-crystalline W up to around 1000 K. - Abstract: A thermodynamic model to evaluate effects of grain boundary (GB) on hydrogen behaviors in poly-crystalline tungsten is established. With this model, the effective solubility, diffusivity and permeability of hydrogen in tungsten equilibrated with surrounding H{sub 2} gas can be calculated as a function of grain size, temperature and H{sub 2} partial pressure. By setting 1.0 eV to the binding energy of hydrogen to GBs and 0.4 eV to the diffusion barrier of hydrogen along GBs, the model reasonably reproduces some experimental data on the effective diffusivity and permeability. Comparisons between calculation results by the model and available experimental data show that GBs significantly affect the hydrogen behaviors up to around 1000 K or higher in practical materials. Therefore, the effects of GBs need to be considered in analysis of experimental results, for which the present model can be utilized, and in prediction of tritium inventory and leakage in fusion reactors.

  7. Modeling Fish Growth in Low Dissolved Oxygen

    Science.gov (United States)

    Neilan, Rachael Miller

    2013-01-01

    This article describes a computational project designed for undergraduate students as an introduction to mathematical modeling. Students use an ordinary differential equation to describe fish weight and assume the instantaneous growth rate depends on the concentration of dissolved oxygen. Published laboratory experiments suggest that continuous…

  8. Stochastic Growth Models with No Discounting

    Czech Academy of Sciences Publication Activity Database

    Sladký, Karel

    2007-01-01

    Roč. 15, č. 4 (2007), s. 88-98 ISSN 0572-3043 R&D Projects: GA ČR(CZ) GA402/06/0990; GA ČR GA402/05/0115 Institutional research plan: CEZ:AV0Z10750506 Keywords : economic dynamics * stochastic version of the Ramsey growth model * Markov decision processes Subject RIV: AH - Economics

  9. Multiscale Modeling of Grain Boundaries in ZrB2: Structure, Energetics, and Thermal Resistance

    Science.gov (United States)

    Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W., Jr.

    2012-01-01

    A combination of ab initio, atomistic and finite element methods (FEM) were used to investigate the structures, energetics and lattice thermal conductance of grain boundaries for the ultra high temperature ceramic ZrB2. Atomic models of idealized boundaries were relaxed using density functional theory. Information about bonding across the interfaces was determined from the electron localization function. The Kapitza conductance of larger scale versions of the boundary models were computed using non-equilibrium molecular dynamics. The interfacial thermal parameters together with single crystal thermal conductivities were used as parameters in microstructural computations. FEM meshes were constructed on top of microstructural images. From these computations, the effective thermal conductivity of the polycrystalline structure was determined.

  10. A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)

    International Nuclear Information System (INIS)

    Abbott, Lauren J.; Stevens, Mark J.

    2015-01-01

    In this study, a coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil-globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomistic simulations

  11. A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)

    Energy Technology Data Exchange (ETDEWEB)

    Abbott, Lauren J.; Stevens, Mark J., E-mail: msteve@sandia.gov [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

    2015-12-28

    A coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil–globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomistic simulations.

  12. Constitutive modelling of the undrained shear strength of fine grained soils containing gas

    Energy Technology Data Exchange (ETDEWEB)

    Grozic, J.L.H. [Calgary Univ., AB (Canada); Nadim, F.; Kvalstad, T.J. [Norwegian Geotechnical Inst., Oslo (Norway)

    2002-07-01

    The behaviour of fine grained gassy soils was studied in order to develop a technique to quantitatively evaluate geohazards. Gas can occur in seabeds either in solution in pore water, undissolved in the form of gas filled voids, or as gas hydrates. In offsho