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Sample records for grain growth model

  1. 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

  2. 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)

  3. 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)

  4. 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.

  5. 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)

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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....

  12. 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,

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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)

  18. 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 ...

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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

  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. 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)

  7. 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....

  8. 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

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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 ).

  14. 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

  15. 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

  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. 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.

  18. 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.

  19. 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)

  20. 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.

  1. 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.

  2. 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.

  3. 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)

  4. 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.

  5. 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.

  6. 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 ).

  7. 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

  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. 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.

  10. 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.

  11. 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...

  12. 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.

  13. 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...

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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.

  2. 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.)

  3. 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)

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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.)

  13. 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%.

  14. 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

  15. 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.

  16. 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...

  17. 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

  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. 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.

  20. 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.

  1. 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

  2. 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.)

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.)

  10. 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.

  11. 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...

  12. 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

  13. 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

  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. 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)

  16. 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.

  17. 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

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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,

  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. 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.

  6. 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)

  7. 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

  8. 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

  9. 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.)

  10. 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.

  11. 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...

  12. 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

  13. 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.

  14. 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

  15. 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

  16. 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

  17. Mechanism of secondary recrystallization of Goss grains in grain-oriented electrical steel

    Science.gov (United States)

    Hayakawa, Yasuyuki

    2017-12-01

    Since its invention by Goss in 1934, grain-oriented (GO) electrical steel has been widely used as a core material in transformers. GO exhibits a grain size of over several millimeters attained by secondary recrystallization during high-temperature final batch annealing. In addition to the unusually large grain size, the crystal direction in the rolling direction is aligned with , which is the easy magnetization axis of α-iron. Secondary recrystallization is the phenomenon in which a certain very small number of {110} (Goss) grains grow selectively (about one in 106 primary grains) at the expense of many other primary recrystallized grains. The question of why the Goss orientation is exclusively selected during secondary recrystallization has long been a main research subject in this field. The general criterion for secondary recrystallization is a small and uniform primary grain size, which is achieved through the inhibition of normal grain growth by fine precipitates called inhibitors. This paper describes several conceivable mechanisms of secondary recrystallization of Goss grains mainly based on the selective growth model.

  18. 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

  19. 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

  20. 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

  1. 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.

  2. 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

  3. 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.

  4. 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.

  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. 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-.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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,

  13. 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

  14. 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.

  15. 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

  16. Grain Formation Processes in Oxygen-Rich Circumstellar Outflows: Testing the Metastable Eutectic Condensation Hypothesis and Measuring Atom-Grain & Grain-Grain Sticking Coefficients (A Sub-orbital Investigation)

    Science.gov (United States)

    Nuth, Joseph

    An experimentally-based model of grain formation in oxygen-rich circumstellar outflows that includes vapor-solid nucleation, grain growth, thermal annealing and grain aggregation in sufficient detail to predict the spectral energy distribution (SED) of the shells for comparison with observations of a wide range of stellar sources still lacks critical data. In order to gather this data we propose to conduct a series of laboratory experiments using our proven experimental system and microgravity condensation, growth and grain aggregation experiments on sounding rockets with a flight-proven payload provided by Dr. Yuki Kimura of Hokkaido University. We have proposed that solids from a hydrogen-rich, supersaturated, Fe-Mg-SiO vapor condense at metastable eutectic points in this ternary phase diagram. Because the FeOMgO system is totally miscible (has no eutectic or metastable eutectic compositions), this predicts that condensates will be pure Mg-silicate or Fe-silicate grains and that no primary condensate will be a mixed Fe-Mg-silicate. We have shown that this observation leads to a logical explanation as to why pure magnesium olivine and enstatite minerals are detected in circumstellar winds rather than the mixed Mg-Fe-silicate grains that might otherwise be expected (Rietmeijer, Nuth & Karner, 1999). This simplifying hypothesis has been built into our models of circumstellar condensation and growth. However, these experimental results require confirmation and testing since they should apply to other, quite similar condensable systems. We propose to test this hypothesis by condensing solids from the Fe-Mg-AlO ternary vapor system. Since FeO-MgO miscibility also applies to this system, the primary condensates from such a vapor should consist of pure amorphous Fe-aluminates and Mg-aluminates. No mixed Fe-Mg-spinels should be detected as primary condensates if this hypothesis is correct, just as none were detected for the FeO-MgO-SiO system. Confirmation of this

  17. 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.

  18. 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.

  19. Branching-induced grain boundary evolution during directional solidification of columnar dendritic grains

    International Nuclear Information System (INIS)

    Guo, Chunwen; Li, Junjie; Yu, Honglei; Wang, Zhijun; Lin, Xin; Wang, Jincheng

    2017-01-01

    We present an investigation of secondary and tertiary branching behavior in diverging grain boundaries (GBs) between two columnar dendritic grains with different crystallographic orientations, both by two-dimensional phase-field simulations and thin-sample experiments. The stochasticity of the GB trajectories and the statistically averaged GB orientations were analyzed in detail. The side-branching dynamics and subsequent branch competition behaviors found in the simulations agreed well with the experimental results. When the orientations of two grains are given, the experimental results indicated that the average GB orientation was independent of the pulling velocity in the dendritic growth regime. The simulation and experimental results, as well as the results reported in the literature exhibit a uniform relation between the percentage of the whole gap region occupied by the favorably oriented grain and the difference in the absolute values of the secondary arm growth directions of the two competitive grains. By describing such a uniform relation with a simple fitting equation, we proposed a simple analytical model for the GB orientation at diverging GBs, which gives a more accurate description of GB orientation selection than the existing models.

  20. 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

  1. 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 ...

  2. 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....

  3. 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)

  4. 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.

  5. 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.

  6. 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

  7. 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.

  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. 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...

  10. 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-.

  11. 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.)

  12. 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

  13. 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...

  14. 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

  15. 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)

  16. 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.

  17. 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

  18. 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...

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. [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.

  9. 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

  10. 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.

  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. 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.

  13. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-01-24

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

  15. 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

  16. 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.

  17. 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

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. An analytical approach to elucidate the mechanism of grain refinement in calcium added Mg-Al alloys

    International Nuclear Information System (INIS)

    Nagasivamuni, B.; Ravi, K.R.

    2015-01-01

    Highlights: • Minor additions of Ca (<0.2%) refines the grain structure in Mg-(3, 6 and 9)Al alloys. • Analytical model elucidate that nucleation potency is enhanced after Ca addition. • Ternary Mg-Al-xCa growth restriction values (Q t ) are computed using Scheil equations. • Grain size predictions elucidate that nucleation events dominate grain refinement. • Growth restriction due to the higher Ca addition on grain refinement is not significant. - Abstract: The present study investigates the grain refinement of Mg-3Al, Mg-6Al and Mg-9Al alloys by calcium addition. The maximum reduction in grain size has been observed at 0.2% Ca addition in Mg-Al alloys, in which any further addition (up to 0.4%) has marginal improvement in grain refinement. The mechanism associated with the grain refinement of Mg-Al alloys by Ca addition is discussed in terms of growth restriction factor (Q) and constitutional undercooling (ΔT CS ) using analytical model. The influence of growth restriction factor (Q) on the final grain size of Ca-added Mg-Al alloys are calculated with the help analytical model by assuming that the number of nucleant particles is not altered through Ca addition. For accurate grain size calculations, the value of Q has been estimated with reliable thermodynamic database using Scheil solidification simulation. The comparison of predicted and experimental grain size results indicate that constitutional undercooling activation of nucleation events plays dominant role in grain refinement in Mg-Al alloys by calcium addition, whereas the increase in growth restriction value has negligible effect

  6. 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.

  7. 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

  8. 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...

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Multimodel Ensembles of Wheat Growth: Many Models are Better than One

    Science.gov (United States)

    Martre, Pierre; Wallach, Daniel; Asseng, Senthold; Ewert, Frank; Jones, James W.; Rotter, Reimund P.; Boote, Kenneth J.; Ruane, Alexander C.; Thorburn, Peter J.; Cammarano, Davide; hide

    2015-01-01

    Crop models of crop growth are increasingly used to quantify the impact of global changes due to climate or crop management. Therefore, accuracy of simulation results is a major concern. Studies with ensembles of crop model scan give valuable information about model accuracy and uncertainty, but such studies are difficult to organize and have only recently begun. We report on the largest ensemble study to date, of 27 wheat models tested in four contrasting locations for their accuracy in simulating multiple crop growth and yield variables. The relative error averaged over models was 2438 for the different end-of-season variables including grain yield (GY) and grain protein concentration (GPC). There was little relation between error of a model for GY or GPC and error for in-season variables. Thus, most models did not arrive at accurate simulations of GY and GPC by accurately simulating preceding growth dynamics. Ensemble simulations, taking either the mean (e-mean) or median (e-median) of simulated values, gave better estimates than any individual model when all variables were considered. Compared to individual models, e-median ranked first in simulating measured GY and third in GPC. The error of e-mean and e-median declined with an increasing number of ensemble members, with little decrease beyond 10 models. We conclude that multimodel ensembles can be used to create new estimators with improved accuracy and consistency in simulating growth dynamics. We argue that these results are applicable to other crop species, and hypothesize that they apply more generally to ecological system models.

  15. Multimodel Ensembles of Wheat Growth: More Models are Better than One

    Science.gov (United States)

    Martre, Pierre; Wallach, Daniel; Asseng, Senthold; Ewert, Frank; Jones, James W.; Rotter, Reimund P.; Boote, Kenneth J.; Ruane, Alex C.; Thorburn, Peter J.; Cammarano, Davide; hide

    2015-01-01

    Crop models of crop growth are increasingly used to quantify the impact of global changes due to climate or crop management. Therefore, accuracy of simulation results is a major concern. Studies with ensembles of crop models can give valuable information about model accuracy and uncertainty, but such studies are difficult to organize and have only recently begun. We report on the largest ensemble study to date, of 27 wheat models tested in four contrasting locations for their accuracy in simulating multiple crop growth and yield variables. The relative error averaged over models was 24-38% for the different end-of-season variables including grain yield (GY) and grain protein concentration (GPC). There was little relation between error of a model for GY or GPC and error for in-season variables. Thus, most models did not arrive at accurate simulations of GY and GPC by accurately simulating preceding growth dynamics. Ensemble simulations, taking either the mean (e-mean) or median (e-median) of simulated values, gave better estimates than any individual model when all variables were considered. Compared to individual models, e-median ranked first in simulating measured GY and third in GPC. The error of e-mean and e-median declined with an increasing number of ensemble members, with little decrease beyond 10 models. We conclude that multimodel ensembles can be used to create new estimators with improved accuracy and consistency in simulating growth dynamics. We argue that these results are applicable to other crop species, and hypothesize that they apply more generally to ecological system models.

  16. 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...

  17. A Cosserat crystal plasticity and phase field theory for grain boundary migration

    Science.gov (United States)

    Ask, Anna; Forest, Samuel; Appolaire, Benoit; Ammar, Kais; Salman, Oguz Umut

    2018-06-01

    The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present significant challenges when formulating simulation models. In particular, no overall unified field framework exists to model concurrent viscoplastic deformation and recrystallization and grain growth in metal polycrystals. In this work a thermodynamically consistent diffuse interface framework incorporating crystal viscoplasticity and grain boundary migration is elaborated. The Kobayashi-Warren-Carter (KWC) phase field model is extended to incorporate the full mechanical coupling with material and lattice rotations and evolution of dislocation densities. The Cosserat crystal plasticity theory is shown to be the appropriate framework to formulate the coupling between phase field and mechanics with proper distinction between bulk and grain boundary behaviour.

  18. 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

  19. 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.

  20. 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

  1. 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.

  2. 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

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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...

  9. 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

  10. 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.

  11. 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.

  12. Discrete stochastic charging of aggregate grains

    Science.gov (United States)

    Matthews, Lorin S.; Shotorban, Babak; Hyde, Truell W.

    2018-05-01

    Dust particles immersed in a plasma environment become charged through the collection of electrons and ions at random times, causing the dust charge to fluctuate about an equilibrium value. Small grains (with radii less than 1 μm) or grains in a tenuous plasma environment are sensitive to single additions of electrons or ions. Here we present a numerical model that allows examination of discrete stochastic charge fluctuations on the surface of aggregate grains and determines the effect of these fluctuations on the dynamics of grain aggregation. We show that the mean and standard deviation of charge on aggregate grains follow the same trends as those predicted for spheres having an equivalent radius, though aggregates exhibit larger variations from the predicted values. In some plasma environments, these charge fluctuations occur on timescales which are relevant for dynamics of aggregate growth. Coupled dynamics and charging models show that charge fluctuations tend to produce aggregates which are much more linear or filamentary than aggregates formed in an environment where the charge is stationary.

  13. 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

  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 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.

  16. 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...

  17. 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.

  18. Enhanced Generic Phase-field Model of Irradiation Materials: Fission Gas Bubble Growth Kinetics in Polycrystalline UO2

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yulan; Hu, Shenyang Y.; Montgomery, Robert O.; Gao, Fei; Sun, Xin

    2012-05-30

    Experiments show that inter-granular and intra-granular gas bubbles have different growth kinetics which results in heterogeneous gas bubble microstructures in irradiated nuclear fuels. A science-based model predicting the heterogeneous microstructure evolution kinetics is desired, which enables one to study the effect of thermodynamic and kinetic properties of the system on gas bubble microstructure evolution kinetics and morphology, improve the understanding of the formation mechanisms of heterogeneous gas bubble microstructure, and provide the microstructure to macroscale approaches to study their impact on thermo-mechanical properties such as thermo-conductivity, gas release, volume swelling, and cracking. In our previous report 'Mesoscale Benchmark Demonstration, Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing', we developed a phase-field model to simulate the intra-granular gas bubble evolution in a single crystal during post-irradiation thermal annealing. In this work, we enhanced the model by incorporating thermodynamic and kinetic properties at grain boundaries, which can be obtained from atomistic simulations, to simulate fission gas bubble growth kinetics in polycrystalline UO2 fuels. The model takes into account of gas atom and vacancy diffusion, vacancy trapping and emission at defects, gas atom absorption and resolution at gas bubbles, internal pressure in gas bubbles, elastic interaction between defects and gas bubbles, and the difference of thermodynamic and kinetic properties in matrix and grain boundaries. We applied the model to simulate gas atom segregation at grain boundaries and the effect of interfacial energy and gas mobility on gas bubble morphology and growth kinetics in a bi-crystal UO2 during post-irradiation thermal annealing. The preliminary results demonstrate that the model can produce the equilibrium thermodynamic properties and the morphology of gas

  19. Densification and grain growth during sintering of porous Ce0.9Gd0.1O1.95tape cast layers: A comprehensive study on heuristic methods

    DEFF Research Database (Denmark)

    Ni, De Wei; Schmidt, Cristine Grings; Teocoli, Francesca

    2013-01-01

    The sintering behavior of porous Ce0.9Gd0.1O1.95(CGO10) tape cast layers was systematically investigated to establish fundamental kinetic parameters associated to densification and grain growth. Densification and grain growth were characterized by a set of different methods to determine the domin...... and grain boundary mobility in the porous body was estimated around 10−18–10−16m3N−1s−1 at the investigated temperature range.© 2013 Elsevier Ltd. All rights reserved.......The sintering behavior of porous Ce0.9Gd0.1O1.95(CGO10) tape cast layers was systematically investigated to establish fundamental kinetic parameters associated to densification and grain growth. Densification and grain growth were characterized by a set of different methods to determine...... the dominant sintering mechanisms and kinetics, both in isothermal and at constant heating rate (iso-rate) conditions. Densification of porous CGO10 tape is thermally activated with typical activation energy which was estimated around 440–470 kJ mol−1. Grain growth showed similar thermal activation energy...

  20. Something from nothing: self-charging of identical grains

    Science.gov (United States)

    Shinbrot, Troy; Yoshimatsu, Ryuta; Nuno Araujo, Nuno; Wurm, Gerhard; Herrmann, Hans

    We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study. I acknowledge support from NSF/DMR, award 1404792.

  1. 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

  2. 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

  3. 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....

  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. Microstructure development in Kolmogorov, Johnson-Mehl, and Avrami nucleation and growth kinetics

    Science.gov (United States)

    Pineda, Eloi; Crespo, Daniel

    1999-08-01

    A statistical model with the ability to evaluate the microstructure developed in nucleation and growth kinetics is built in the framework of the Kolmogorov, Johnson-Mehl, and Avrami theory. A populational approach is used to compute the observed grain-size distribution. The impingement process which delays grain growth is analyzed, and the effective growth rate of each population is estimated considering the previous grain history. The proposed model is integrated for a wide range of nucleation and growth protocols, including constant nucleation, pre-existing nuclei, and intermittent nucleation with interface or diffusion-controlled grain growth. The results are compared with Monte Carlo simulations, giving quantitative agreement even in cases where previous models fail.

  6. On tension-compression asymmetry in ultrafine-grained and nanocrystalline metals

    KAUST Repository

    Gurses, Ercan

    2010-12-01

    We present a physically motivated computational study explaining the tension/compression (T/C) asymmetry phenomenon in nanocrystalline (nc) and ultrafine-grained (ufg) face centered cubic (fcc) metals utilizing a variational constitutive model where the nc-metal is modeled as a two-phase material consisting of a grain interior phase and a grain boundary affected zone (GBAZ). We show that the existence of voids and their growth in GBAZ renders the material pressure sensitivity due to porous plasticity and that the utilized model provides a physically sound mechanism to capture the experimentally observed T/C asymmetry in nc- and ufg-metals. © 2010 Elsevier B.V. All rights reserved.

  7. 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

  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. 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.

  10. 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%.

  11. 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

  12. 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.

  13. 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

  14. 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...

  15. 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

  16. 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.

  17. 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

  18. 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

  19. Design of Grain Refiners for Aluminium Alloys

    Science.gov (United States)

    Tronche, A.; Greer, A. L.

    The efficiency of a grain refiner can be quantified as the number of grains per nucleant particle in the solidified product. Even for effective refiners in aluminium, such as Al-5Ti-1B, it is known from experiments that efficiencies are very low, at best 10-3 to 102. It is of interest to explore the reasons for such low values, and to assess the prospects for increased efficiency though design of refiners. Recently it has been shown [1] that a simple recalescence-based model can make quantitative predictions of grain size as a function of refiner addition level, cooling rate and solute content. In the model, the initiation of grains is limited by the free growth from nucleant particles, the size distribution of which is very important. The present work uses this model as the basis for discussing the effect of particle size distribution on grain refiner performance. Larger particles (of TiB2 in the case of present interest) promote greater efficiency, as do narrower size distributions. It is shown that even if the size distribution could be exactly specified, compromises would have to be made to balance efficiency (defined as above) with other desirable characteristics of a refiner.

  20. Creep crack extension by grain-boundary cavitation

    International Nuclear Information System (INIS)

    Bassani, J.L.

    1981-01-01

    Recent work by Riedel and coworkers has led to various descriptions of stationary and moving crack tip fields under creep conditions. For stationary and growing cracks, several flow mechanisms (e.g., elastic, time-independent plastic, primary creep, and secondary creep) can dictate the analytical form of the crack tip field. In this paper, relationship between overall loading and crack velocities are modelled based upon grain-boundary cavity growth and coalescence within the zone of concentrated strain in the crack tip field. Coupled diffusion and creep growth of the cavities is considered. Overall crack extension is taken to be intermittent on a size scale equivalent to the size of a grain. Numerical results are presented for a center-cracked panel of 304 stainless steel. (author)

  1. Concentration contours in lattics and grain boundary diffusion in a polycrystalline solid

    International Nuclear Information System (INIS)

    Kim, Yong Soo; Jae, Won Mok; El Saied, Usama; Olander, Donald R.

    1995-01-01

    Grain boundary diffusion plays significant role in the fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated inside fuel pellet have to diffuse in the lattice and in the grain boundary before they reach open space in the fuel rod. In the mean time, the grains in the fuel pellet grow and shrink according to grain growth kinetics, especially at elevated temperature at which nuclear reactors are operating. Thus the boundary movement ascribed to the grain growth greatly influences the fission gas release rate by lengthening or shortening the lattice diffusion distance, which is the rate limiting step. Sweeping fission gases by the moving boundary contributes to the increment of the fission gas release as well. Lattice and grain boundary diffusion processes in the fission gas release can be studied by 'tracer diffusion' technique, by which grain boundary diffusivity can be estimated and used directly for low burn up fission gas release analysis. However, even for tracer diffusion analysis, taking both the intragranular grain growth and the diffusion processes simultaneously into consideration is not easy. Only a few models accounting for the both processes are available and mostly handle them numerically. Numerical solutions are limited in the practical use. Here in this paper, an approximate analytical solution of the lattice and stationary grain boundary diffusion in a polycrystalline solid is developed for the tracer diffusion techniques. This short closed form solution is compared to available exact and numerical solutions and turns out to be acceptably accurate. It can be applied to the theoretical modeling and the experimental analysis, especially PIE (post irradiation examination), of low burn up fission gas release

  2. Influence of transport mechanisms on nucleation and grain structure formation in DC cast aluminium alloy ingots

    Science.gov (United States)

    Bedel, M.; Založnik, M.; Kumar, A.; Combeau, H.; Jarry, P.; Waz, E.

    2012-01-01

    The grain structure formation in direct chill (DC) casting is directly linked to nucleation, which is generally promoted by inoculation. Inoculation prevents defects, but also modifies the physical properties by changing the microstructure. We studied the coupling of the nucleation on inoculant particles and the grain growth in the presence of melt flow induced by thermosolutal convection and of the transport of free-floating equiaxed grains. We used a volume-averaged two-phase multiscale model with a fully coupled description of phenomena on the grain scale (nucleation on grain refiner particles and grain growth) and on the product scale (macroscopic transport). The transport of inoculant particles is also modeled, which accounts for the inhomogeneous distribution of inoculant particles in the melt. The model was applied to an industrial sized (350mm thick) DC cast aluminium alloy ingot. A discretised nuclei size distribution was defined and the impact of different macroscopic phenomena on the grain structure formation was studied: the zone and intensity of nucleation and the resulting grain size distribution. It is shown that nucleation in the presence of macroscopic transport cannot be explained only in terms of cooling rate, but variations of composition, nuclei density and grain density, all affected by transport, must be accounted for.

  3. 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.

  4. 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.

  5. 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.

  6. Effects of local film properties on the nucleation and growth of tin whiskers and hillocks

    Science.gov (United States)

    Sarobol, Pylin

    Whiskers and hillocks grow spontaneously on Pb-free Sn electrodeposited films as a response to thin film stresses. Stress relaxation occurs by atom deposition to specific grain boundaries in the plane of the film, with hillocks being formed when grain boundary migration accompanies growth out of the plane of the film. The implication for whisker formation in electronics is serious: whiskers can grow to be millimeters long, sometimes causing short circuiting between adjacent components and, thereby, posing serious electrical reliability risks. In order to develop more effective whisker mitigation strategies, a predictive physics-based model has been needed. A growth model is developed, based on grain boundary faceting, localized Coble creep, as well as grain boundary sliding for whiskers, and grain boundary sliding with shear induced grain boundary migration for hillocks. In this model of whisker formation, two mechanisms are important: accretion of atoms by Coble creep on grain boundary planes normal to the growth direction inducing a grain boundary shear and grain boundary sliding in the direction of whisker growth. The model accurately captures the importance of the geometry of "surface grains"---shallow grains on film surfaces whose depths are significantly less than their in-plane grain sizes. A critical factor in the analysis is the ratio of the grain boundary sliding coefficient to the in-plane film compressive stress. If the accretion-induced shear stresses are not coupled to grain boundary motion and sliding occurs, a whisker forms. If the shear stress is coupled to grain boundary migration, a hillock forms. Based on this model, long whiskers grow from shallow surface grains with easy grain boundary sliding in the direction of growth. Other observed growth morphologies will be discussed in light of our model. Additional insights into the preferred sites for whisker and hillock growth were developed based on elastic anisotropy, local film microstructure

  7. 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

  8. Breakthrough revisited: investigating the requirements for growth of dust beyond the bouncing barrier

    Science.gov (United States)

    Booth, Richard A.; Meru, Farzana; Lee, Man Hoi; Clarke, Cathie J.

    2018-03-01

    For grain growth to proceed effectively and lead to planet formation, a number of barriers to growth must be overcome. One such barrier, relevant for compact grains in the inner regions of the disc, is the `bouncing barrier' in which large grains (˜mm size) tend to bounce off each other rather than sticking. However, by maintaining a population of small grains, it has been suggested that cm-size particles may grow rapidly by sweeping up these small grains. We present the first numerically resolved investigation into the conditions under which grains may be lucky enough to grow beyond the bouncing barrier by a series of rare collisions leading to growth (so-called `breakthrough'). Our models support previous results, and show that in simple models breakthrough requires the mass ratio at which high-velocity collisions transition to growth instead of causing fragmentation to be low, ϕ ≲ 50. However, in models that take into account the dependence of the fragmentation threshold on mass ratio, we find that breakthrough occurs more readily, even if mass transfer is relatively inefficient. This suggests that bouncing may only slow down growth, rather than preventing growth beyond a threshold barrier. However, even when growth beyond the bouncing barrier is possible, radial drift will usually prevent growth to arbitrarily large sizes.

  9. 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

  10. 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

  11. 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.

  12. 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.)

  13. 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.

  14. 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...

  15. 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.

  16. Generalized coarse-grained Becker-Doering equations

    International Nuclear Information System (INIS)

    Bolton, Colin D; Wattis, Jonathan A D

    2003-01-01

    We present and apply a generalized coarse-graining method of reducing the Becker-Doering model; originally formulated to describe the stepwise aggregation and fragmentation of clusters during nucleation. Previous formulations of the coarse-graining procedure have allowed a temporal rescaling of the coarse-grained reaction rates; this is generalized to allow the rescaling to depend on cluster size. The form of this factor is derived for general reaction rates and general mesh function so that the steady-state solution is preserved; in the case of an even mesh function the kinetics can also be accurately reproduced. With a size-dependent mesh function the equilibrium solution and the form of convergence to this state are matched for a specific example. Finally we consider reaction rates relevant to the classical nucleation theory of spherical cluster growth, and numerically compare solutions of the full system to the generalized coarse-grained system in both constant monomer and constant mass formulations, demonstrating the accuracy of the method

  17. 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.

  18. 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.)

  19. 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

  20. 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....

  1. 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.

  2. 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)

  3. 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

  4. 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

  5. Rotation-limited growth of three-dimensional body-centered-cubic crystals.

    Science.gov (United States)

    Tarp, Jens M; Mathiesen, Joachim

    2015-07-01

    According to classical grain growth laws, grain growth is driven by the minimization of surface energy and will continue until a single grain prevails. These laws do not take into account the lattice anisotropy and the details of the microscopic rearrangement of mass between grains. Here we consider coarsening of body-centered-cubic polycrystalline materials in three dimensions using the phase field crystal model. We observe, as a function of the quenching depth, a crossover between a state where grain rotation halts and the growth stagnates and a state where grains coarsen rapidly by coalescence through rotation and alignment of the lattices of neighboring grains. We show that the grain rotation per volume change of a grain follows a power law with an exponent of -1.25. The scaling exponent is consistent with theoretical considerations based on the conservation of dislocations.

  6. Microstructures and Grain Refinement of Additive-Manufactured Ti- xW Alloys

    Science.gov (United States)

    Mendoza, Michael Y.; Samimi, Peyman; Brice, David A.; Martin, Brian W.; Rolchigo, Matt R.; LeSar, Richard; Collins, Peter C.

    2017-07-01

    It is necessary to better understand the composition-processing-microstructure relationships that exist for materials produced by additive manufacturing. To this end, Laser Engineered Net Shaping (LENS™), a type of additive manufacturing, was used to produce a compositionally graded titanium binary model alloy system (Ti- xW specimen (0 ≤ x ≤ 30 wt pct), so that relationships could be made between composition, processing, and the prior beta grain size. Importantly, the thermophysical properties of the Ti- xW, specifically its supercooling parameter ( P) and growth restriction factor ( Q), are such that grain refinement is expected and was observed. The systematic, combinatorial study of this binary system provides an opportunity to assess the mechanisms by which grain refinement occurs in Ti-based alloys in general, and for additive manufacturing in particular. The operating mechanisms that govern the relationship between composition and grain size are interpreted using a model originally developed for aluminum and magnesium alloys and subsequently applied for titanium alloys. The prior beta grain factor observed and the interpretations of their correlations indicate that tungsten is a good grain refiner and such models are valid to explain the grain-refinement process. By extension, other binary elements or higher order alloy systems with similar thermophysical properties should exhibit similar grain refinement.

  7. 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.

  8. 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.

  9. Grain Boundary Engineering of Electrodeposited Thin Films

    DEFF Research Database (Denmark)

    Alimadadi, Hossein

    is not yet well-understood. This, at least partly, owes to the lack of robust characterization methods for analyzing the nature of grain boundaries including the grain boundary plane characteristics, until recently. In the past decade, significant improvements in the 2-dimensional and 3-dimensional analysis...... of the favorable boundaries that break the network of general grain boundaries. Successful dedicated synthesis of a textured nickel film fulfilling the requirements of grain boundary engineered materials, suggests improved boundary specific properties. However, the textured nickel film shows fairly low...... thermal stability and growth twins annihilate by thermal treatment at 600 degree C. In contrast, for oriented grains, growth nano-twins which are enveloped within columnar grains show a high thermal stability even after thermal treatment at 600 degree C. In order to exploit the high thermal...

  10. 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.

  11. Grain refinement of AZ31 by (SiC)P: Theoretical calculation and experiment

    International Nuclear Information System (INIS)

    Guenther, R.; Hartig, Ch.; Bormann, R.

    2006-01-01

    Grain refinement of gravity die-cast Mg-alloys can be achieved via two methods: in situ refinement by primary precipitated metallic or intermetallic phases, and inoculation of the melt via ceramic particles that remain stable in the melt due to their high thermodynamic stability. In order to clarify grain refinement mechanisms and optimize possible potent refiners in Mg-alloys, a simulation method for heterogeneous nucleation based on a free growth model has been developed. It allows the prediction of the grain size as a function of the particle size distribution, the volumetric content of ceramic inoculants, the cooling rate and the alloy constitution. The model assumptions were examined experimentally by a study of the grain refinement of (SiC) P in AZ31. Additions of (SiC) P result in significant grain refinement, if appropriate parameters for ceramic particles are chosen. The model makes quantitatively correct predictions for the grain size and its variation with cooling rate

  12. Effect of salinity on grain yield and grain quality of wheat (triticum aestivum l.)

    International Nuclear Information System (INIS)

    Abbas, G.; Saqib, M.; Rafique, Q.; Rahman, A.U.; Akhtar, J.; Haq, M.A.U.

    2013-01-01

    Salinity is one of the important stresses resulting in the reduction of growth and yield of different crops including wheat. In saline soils the concentration of Na/sup +/ and Cl/sup -/ is higher accompanied with the decreased K/sup +/: Na/sup +/ ratio thus severely affecting the growth and yield of crops. The effect of salinity on the growth and yield of wheat is well documented, whereas there is very little information about salinity tolerance and grain quality of wheat. Present study was conducted to assess the effect of salinity on yield components, ionic relations and grain quality and to understand the relationship among these parameters. A pot experiment was conducted using wheat genotype Pasban-90. There were two treatments i.e. non-saline (0.33 dS m/sup -1/) and saline (15 dS m/sup -1/) with five replications. Salinity resulted in a significant reduction of the grain protein, fat and fiber contents. Similarly yield components were significantly reduced. Maximum reduction was noted in case of number of tillers plant/sup -1/, followed by grain weight plant/sup -1/. High Na/sup +/ and low K/sup +/, P concentration and K/sup +/: Na/sup +/ ratio was observed in the shoot, root and grain. This disturbed ionic composition seems to be apparent cause of yield reduction and deterioration of wheat quality under salinity. (author)

  13. Self-charging of identical grains in the absence of an external field

    Science.gov (United States)

    Yoshimatsu, R.; Araújo, N. A. M.; Wurm, G.; Herrmann, H. J.; Shinbrot, T.

    2017-01-01

    We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study.

  14. 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.

  15. 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.

  16. Verification of “Channel-Probability Model” of Grain Yield Estimation

    Directory of Open Access Journals (Sweden)

    ZHENG Hong-yan

    2016-07-01

    Full Text Available The "channel-probability model" of grain yield estimation was verified and discussed systematically by using the grain production data from 1949 to 2014 in 16 typical counties, and 6 typical districts, and 31 provinces of China. The results showed as follows:(1Due to the geographical spatial scale was large enough, different climate zones and different meteorological conditions could compensated, and grain yield estimation error was small in the scale of nation. Therefore, it was not necessary to modify the grain yield estimation error by mirco-trend and the climate year types in the scale of nation. However, the grain yield estimation in the scale of province was located at the same of a climate zone,the scale was small, so the impact of the meteorological conditions on grain yield was less complementary than the scale of nation. While the spatial scale of districts and counties was smaller, accordingly the compensation of the impact of the meteorological conditions on grain yield was least. Therefore, it was necessary to use mrico-trend amendment and the climate year types amendment to modify the grain yield estimation in districts and counties.(2Mirco-trend modification had two formulas, generally, when the error of grain yield estimation was less than 10%, it could be modified by Y×(1-K; while the error of grain yield estimation was more than 10%, it could be modified by Y/(1+K.(3Generally, the grain estimation had 5 grades, and some had 7 grades because of large error fluctuation. The parameters modified of super-high yield year and super-low yield year must be depended on the real-time crop growth and the meteorological condition. (4By plenty of demonstration analysis, it was proved that the theory and method of "channel-probability model" was scientific and practical. In order to improve the accuracy of grain yield estimation, the parameters could be modified with micro-trend amendment and the climate year types amendment. If the

  17. Influence of porosity on densification and grain growth kinetics of Ce0.9Gd0.1O1.95 tape

    DEFF Research Database (Denmark)

    Ni, De Wei; Esposito, Vincenzo; Foghmoes, Søren Preben Vagn

    porous layer allowing gas flow is necessary in catalytic and in gas purification devices. During the sintering with shrinkage, the total solid volume is maintained to be a constant value but the shape and size of each particle change with the formation of grain boundaries. This change in solid particles...... is accompanied by the change of shape, size and fraction of pores in a given volume. Therefore, porosity can be treated as an extra phase during sintering study. In this work, we presented the densification and grain growth behaviour of Ce0.9Gd0.1O1.95 tape cast layers with different percentage of porosity....... The emphasis was put on the effect of porosity on densification and grain growth kinetics. Derived from the sintering constitutive laws, the densification and grain growth kinetics were experimentally characterized and analyzed. Furthermore, the activation energies for viscous flow were determined from master...

  18. 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.)

  19. Investigation of Abnormal Grain Growth in a Friction Stir Welded and Spin-Formed Al-Li Alloy 2195 Crew Module

    Science.gov (United States)

    Tayon, Wesley A.; Domack, Marcia S.; Hoffman, Eric K.; Hales, Stephen J.

    2013-01-01

    In order to improve manufacturing efficiency and reduce structural mass and costs in the production of launch vehicle structures, NASA is pursuing a wide-range of innovative, near-net shape manufacturing technologies. A technology that combines friction stir welding (FSW) and spin-forming has been applied to manufacture a single-piece crew module using Aluminum-Lithium (AL-Li) Alloy 2195. Plate size limitations for Al-Li alloy 2195 require that two plates be FSW together to produce a spin-forming blank of sufficient size to form the crew module. Subsequent forming of the FSW results in abnormal grain growth (AGG) within the weld region upon solution heat treatment (SHT), which detrimentally impacts strength, ductility, and fracture toughness. The current study seeks to identify microstructural factors that contribute to the development of AGG. Electron backscatter diffraction (EBSD) was used to correlate driving forces for AGG, such as stored energy, texture, and grain size distributions, with the propensity for AGG. Additionally, developmental annealing treatments prior to SHT are examined to reduce or eliminate the occurrence of AGG by promoting continuous, or uniform, grain growth

  20. 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.)

  1. Formation of dust grains in the ejecta of SN 1987A

    International Nuclear Information System (INIS)

    Kozasa, Takashi; Hasegawa, Hiroichi; Nomoto, Kenichi

    1989-01-01

    Formation of dust grains in the ejecta of SN 1987A is investigated on the basis of a theory of homogeneous nucleation and grain growth. The formation of dust grains in the gas ejected from a heavy element-rich mantle is considered, including the effects of latent heat released during grain growth and of radiation from the photosphere. It is shown that dust grains can condense in the heavy-element-rich mantle, and that the time of formation strongly depends on the temperature structure in the ejecta. Moreover, the formation of dust grains is retarded by the strong SN radiation field and the effect of latent heat deposited during grain growth. 41 refs

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. Crystallographic investigation of grain selection during initial solidification

    International Nuclear Information System (INIS)

    Esaka, H; Shinozuka, K; Kataoka, Y

    2016-01-01

    Normally, macroscopic solidified structure consists of chill, columnar and equiaxed zones. In a chill zone, many fine grains nucleate on the mold surface and grow their own preferred growth direction. Only a few of them continue to grow because of grain selection. In order to understand the grain selection process, crystallographic investigation has been carried out in the zone of initial solidification in this study. 10 g of Al-6 wt%Si alloy was melted at 850 °C and poured on the thick copper plate. Longitudinal cross section of the solidified shell was observed by a SEM and analyzed by EBSD. The result of EBSD mapping reveals that crystallographic orientation was random in the range of initial solidification. Further, some grains are elongated along their <100> direction. Columnar grains, whose growth directions are almost parallel to the heat flow direction, develop via grain selection. Here, a dendrite whose growth direction is close to the heat flow direction overgrows the other dendrite whose growth direction is far from the heat flow direction. However, sometimes we observed that dendrite, whose zenith angle is large, overgrew the other dendrite. It can be deduced that the time of nucleation on the mold surface is not constant. (paper)

  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. 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.

  9. 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

  10. 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

  11. 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.

  12. 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)

  13. 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.

  14. Fractal dust grains in plasma

    International Nuclear Information System (INIS)

    Huang, F.; Peng, R. D.; Liu, Y. H.; Chen, Z. Y.; Ye, M. F.; Wang, L.

    2012-01-01

    Fractal dust grains of different shapes are observed in a radially confined magnetized radio frequency plasma. The fractal dimensions of the dust structures in two-dimensional (2D) horizontal dust layers are calculated, and their evolution in the dust growth process is investigated. It is found that as the dust grains grow the fractal dimension of the dust structure decreases. In addition, the fractal dimension of the center region is larger than that of the entire region in the 2D dust layer. In the initial growth stage, the small dust particulates at a high number density in a 2D layer tend to fill space as a normal surface with fractal dimension D = 2. The mechanism of the formation of fractal dust grains is discussed.

  15. 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.

  16. 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.

  17. Grain-Size Dynamics Beneath Mid-Ocean Ridges: Implications for Permeability and Melt Extraction

    Science.gov (United States)

    Turner, A. J.; Katz, R. F.; Behn, M. D.

    2014-12-01

    The permeability structure of the sub-ridge mantle plays an important role in how melt is focused and extracted at mid-ocean ridges. Permeability is controlled by porosity and the grain size of the solid mantle matrix, which is in turn controlled by the deformation conditions. To date, models of grain size evolution and mantle deformation have not been coupled to determine the influence of spatial variations in grain-size on the permeability structure at mid-ocean ridges. Rather, current models typically assume a constant grain size for the whole domain [1]. Here, we use 2-D numerical models to evaluate the influence of grain-size variability on the permeability structure beneath a mid-ocean ridge and use these results to speculate on the consequences for melt focusing and extraction. We construct a two-dimensional, single phase model for the steady-state grain size beneath a mid-ocean ridge. The model employs a composite rheology of diffusion creep, dislocation creep, dislocation accommodated grain boundary sliding, and a brittle stress limiter. Grain size is calculated using the "wattmeter" model of Austin and Evans [2]. We investigate the sensitivity of the model to global variations in grain growth exponent, potential temperature, spreading-rate, and grain boundary sliding parameters [3,4]. Our model predicts that permeability varies by two orders of magnitude due to the spatial variability of grain size within the expected melt region of a mid-ocean ridge. The predicted permeability structure suggests grain size may promote focusing of melt towards the ridge axis. Furthermore, the calculated grain size structure should focus melt from a greater depth than models that exclude grain-size variability. Future work will involve evaluating this hypothesis by implementing grain-size dynamics within a two-phase mid-ocean ridge model. The developments of such a model will be discussed. References: [1] R. F. Katz, Journal of Petrology, volume 49, issue 12, page 2099

  18. 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.

  19. 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...

  20. 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.

  1. 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)

  2. 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.

  3. 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.

  4. 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

  5. A Rare Allele of GS2 Enhances Grain Size and Grain Yield in Rice.

    Science.gov (United States)

    Hu, Jiang; Wang, Yuexing; Fang, Yunxia; Zeng, Longjun; Xu, Jie; Yu, Haiping; Shi, Zhenyuan; Pan, Jiangjie; Zhang, Dong; Kang, Shujing; Zhu, Li; Dong, Guojun; Guo, Longbiao; Zeng, Dali; Zhang, Guangheng; Xie, Lihong; Xiong, Guosheng; Li, Jiayang; Qian, Qian

    2015-10-05

    Grain size determines grain weight and affects grain quality. Several major quantitative trait loci (QTLs) regulating grain size have been cloned; however, our understanding of the underlying mechanism that regulates the size of rice grains remains fragmentary. Here, we report the cloning and characterization of a dominant QTL, grain size on chromosome 2 (GS2), which encodes Growth-Regulating Factor 4 (OsGRF4), a transcriptional regulator. GS2 localizes to the nucleus and may act as a transcription activator. A rare mutation of GS2 affecting the binding site of a microRNA, OsmiR396c, causes elevated expression of GS2/OsGRF4. The increase in GS2 expression leads to larger cells and increased numbers of cells, which thus enhances grain weight and yield. The introduction of this rare allele of GS2/OsGRF4 into rice cultivars could significantly enhance grain weight and increase grain yield, with possible applications in breeding high-yield rice varieties. Copyright © 2015 The Author. Published by Elsevier Inc. All rights reserved.

  6. Relative effect(s) of texture and grain size on magnetic properties in a low silicon non-grain oriented electrical steel

    International Nuclear Information System (INIS)

    PremKumar, R.; Samajdar, I.; Viswanathan, N.N.; Singal, V.; Seshadri, V.

    2003-01-01

    Hot rolled low Si (silicon) non-grain oriented electrical steel was cold rolled to different reductions. Cold rolled material was subsequently recrystallized, 650 deg. C and 2 h, and then temper rolled (to 7% reduction) for the final grain growth annealing and decarburization treatment at 850 deg. C for 2-24 h. The development of texture, grain size and magnetic properties were characterized at different stages of processing. Effect of texture on magnetic properties (watt loss and permeability) was observed to be best represented by the ratio of volume fractions of (1 1 1) /(0 0 1) fibers, as estimated by convoluting X-ray ODFs (orientation distribution functions) with respective model functions. Such a ratio was termed as generalized texture factor (tf) for the non-grain oriented electrical steel. An effort was made to delink effects of grain size and texture, as represented by respective tf, on watt loss and permeability by careful analysis of experimental data. In general, low tf and/or high grain size were responsible for low watt loss and high permeability. However, individual effect of grain size or tf on magnetic properties was less significant at low tf or large grain size, respectively. An attempt was made to fit regression equations, namely--linear, exponential and power, relating magnetic properties with tf and grain size, limiting the fitting parameters to 3. Least standard deviations, between experimental and predicted values, were obtained by power regression equations for both magnetic properties

  7. Spatial Price Discovery, Dynamics, and Leadership in Evolving Distiller’s Grain Markets

    OpenAIRE

    Van Winkle, Tyler W.; Schroeder, Ted C.

    2008-01-01

    Recent dramatic growth in corn-based bio-refining has generated considerable growth in the by-product of this process, distiller’s grains. Distiller’s grains are rapidly becoming important livestock feed ingredient sources. However, little public market information is available on distiller’s grain. This study determines spatial and temporal price relationships among distiller’s grain markets. Results indicate spatial distiller’s grain markets operate somewhat independently suggesting potenti...

  8. 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

  9. Heating temperature effect on ferritic grain size of rotor steel

    International Nuclear Information System (INIS)

    Cheremnykh, V.G.; Derevyankin, E.V.; Sakulin, A.A.

    1983-01-01

    The heating temperature effect on ferritic grain size of two steels 13Kh1M1FA and 25Kh1M1FA is evaluated. It is shown that exposure time increase at heating temperatures below 1000 deg C up to 10h changes but slightly the size of the Cr-Mo-V ferritic grain of rotor steel cooled with 25 deg C/h rate. Heating up to 1000 deg C and above leads to substantial ferritic grain growth. The kinetics of ferritic grain growth is determined by the behaviour of phases controlling the austenitic grain growth, such as carbonitrides VCsub(0.14)Nsub(0.78) in 13Kh1M1FA steel and VCsub(0.18)Nsub(0.72) in 25Kh1M1FA steel. Reduction of carbon and alloying elements content in steel composition observed at the liquation over rotor length leads to a certain decrease of ferritic grain resistance to super heating

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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)

  16. Examination and modeling of void growth kinetics in modern high strength dual phase steels during uniaxial tensile deformation

    Energy Technology Data Exchange (ETDEWEB)

    Saeidi, N., E-mail: navidsae@gmail.com [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Ashrafizadeh, F.; Niroumand, B. [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Forouzan, M.R.; Mohseni mofidi, S. [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Barlat, F. [Materials Mechanics Laboratory (MML), Graduate Institute of Ferrous Technology (GIFT), Pohang University of Science and Technology - POSTECH, San 31 Hyoja-dong, Nam-gu, Pohang, Gyeongbuk 790-784 (Korea, Republic of)

    2016-04-01

    Ductile fracture mechanisms during uniaxial tensile testing of two different modern high strength dual phase steels, i.e. DP780 and DP980, were studied. Detailed microstructural characterization of the strained and sectioned samples was performed by scanning electron microscopy as well as EBSD examination. The results revealed that interface decohesion, especially at martensite particles located at ferrite grain boundaries, was the most probable mechanism for void nucleation. It was also revealed that the creation of cellular substructure can reduce stored strain energy and thereby, higher true fracture strain was obtained in DP980 than DP780 steel. Prediction of void growth behavior based on some previously proposed models showed unreliable results. Therefore, a modified model based on Rice-Tracey family models was proposed which showed a very lower prediction error compared with other models. - Highlights: • Damage mechanism in two modern high strength dual phase steels was studied. • Creation of cellular substructures can reduce the stored strain energy within the ferrite grains. • The experimental values were examined by Agrawal as well as RT family models. • A modified model was proposed for prediction of void growth behavior of DP steels.

  17. 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

  18. 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 ...

  19. 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…

  20. 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.

  1. A quantitative approach to characterize sink-source relationships during grain filling in contrasting wheat genotypes

    NARCIS (Netherlands)

    Yin, X.; Guo, W.; Spiertz, J.H.J.

    2009-01-01

    We present a simple generic framework to quantify source–sink relationships during grain filling, by using a determinate growth function which has a unique property, namely being able of explicitly describing the time for the end of a growth process. This model framework was applied to analyze these

  2. 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

  3. 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)

  4. 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.

  5. The effect of grain refinement and silicon content on grain formation in hypoeutectic Al-Si alloys

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.C.; Dahle, A.K.; StJohn, D.H.; Hutt, J.E.C. [Queensland Univ., Brisbane (Australia). Dept. of Mining, Minerals and Mater. Eng.

    1999-01-15

    The effect of increasing the amount of added grain refiner on grain size and morphology has been investigated for a range of hypoeutectic Al-Si alloys. The results show a transition in grain size at a silicon concentration of about 3 wt% in unrefined alloys; the grain size decreasing with silicon content before the transition, and increasing beyond the transition point. A change in morphology also occurs with increased silicon content. The addition of grain refiner leads to greater refinement for silicon contents below the transition point than for those contents above the transition point, while the transition point seems to remain unchanged. The slope of the grain size versus silicon content curve after the transition seems to be unaffected by the degree of grain refinement. The results are related to the competitive processes of nucleation and constitutional effects during growth and their impact on nucleation kinetics. (orig.) 13 refs.

  6. 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

  7. Orientation aspects of growth during recrystallization

    International Nuclear Information System (INIS)

    Juul Jensen, D.

    1997-04-01

    Recrystallization of heavily cold rolled aluminium and copper is studied with the aim of achieving information about effects of crystallography orientation on the growth process. The potentials of several experimental techniques are analysed, and a method well suited for characterizing growth rates of grains with different orientations is developed. This method, which is referred to as the extended Cahn-Hagel method, is used for growth rate determinations in aluminium and copper deformed and annealed under five different conditions. In all the investigated cases, preferential growth of cube oriented grains is observed. Recrystallization models, which simulates the orientational as well as microstructural development, are described. selected models are applied for studies of recrystallization in aluminium and copper under specific deformation and annealing conditions as well as for more general studies of the effects of orientation dependent growth rates on the recrystallization microstructure and texture. Finally, reasons for the observed orientation dependent growth rates are discussed. A new mechanism, orientation pinning, is suggested and it is shown that this mechanism is necessary for the understanding of experimental results. (au) 4 tabs., 41 ills., 153 refs

  8. Orientation aspects of growth during recrystallization

    Energy Technology Data Exchange (ETDEWEB)

    Juul Jensen, D.

    1997-04-01

    Recrystallization of heavily cold rolled aluminium and copper is studied with the aim of achieving information about effects of crystallography orientation on the growth process. The potentials of several experimental techniques are analysed, and a method well suited for characterizing growth rates of grains with different orientations is developed. This method, which is referred to as the extended Cahn-Hagel method, is used for growth rate determinations in aluminium and copper deformed and annealed under five different conditions. In all the investigated cases, preferential growth of cube oriented grains is observed. Recrystallization models, which simulates the orientational as well as microstructural development, are described. selected models are applied for studies of recrystallization in aluminium and copper under specific deformation and annealing conditions as well as for more general studies of the effects of orientation dependent growth rates on the recrystallization microstructure and texture. Finally, reasons for the observed orientation dependent growth rates are discussed. A new mechanism, orientation pinning, is suggested and it is shown that this mechanism is necessary for the understanding of experimental results. (au) 4 tabs., 41 ills., 153 refs.

  9. Grain dissection as a grain size reducing mechanism during ice microdynamics

    Science.gov (United States)

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

    2017-04-01

    Ice sheets are valuable paleo-climate archives, but can lose their integrity by ice flow. An understanding of the microdynamic mechanisms controlling the flow of ice is essential when assessing climatic and environmental developments related to ice sheets and glaciers. For instance, the development of a consistent mechanistic grain size law would support larger scale ice flow models. Recent research made significant progress in numerically modelling deformation and recrystallisation mechanisms in the polycrystalline ice and ice-air aggregate (Llorens et al., 2016a,b; Steinbach et al., 2016). The numerical setup assumed grain size reduction is achieved by the progressive transformation of subgrain boundaries into new high angle grain boundaries splitting an existing grain. This mechanism is usually termed polygonisation. Analogue experiments suggested, that strain induced grain boundary migration can cause bulges to migrate through the whole of a grain separating one region of the grain from another (Jessell, 1986; Urai, 1987). This mechanism of grain dissection could provide an alternative grain size reducing mechanism, but has not yet been observed during ice microdynamics. In this contribution, we present results using an updated numerical approach allowing for grain dissection. The approach is based on coupling the full field theory crystal visco-plasticity code (VPFFT) of Lebensohn (2001) to the multi-process modelling platform Elle (Bons et al., 2008). VPFFT predicts the mechanical fields resulting from short strain increments, dynamic recrystallisation process are implemented in Elle. The novel approach includes improvements to allow for grain dissection, which was topologically impossible during earlier simulations. The simulations are supported by microstructural observations from NEEM (North Greenland Eemian Ice Drilling) ice core. Mappings of c-axis orientations using the automatic fabric analyser and full crystallographic orientations using electron

  10. Abnormal Grain Growth in the Heat Affected Zone of Friction Stir Welded Joint of 32Mn-7Cr-1Mo-0.3N Steel during Post-Weld Heat Treatment

    Directory of Open Access Journals (Sweden)

    Yijun Li

    2018-04-01

    Full Text Available The abnormal grain growth in the heat affected zone of the friction stir welded joint of 32Mn-7Cr-1Mo-0.3N steel after post-weld heat treatment was confirmed by physical simulation experiments. The microstructural stability of the heat affected zone can be weakened by the welding thermal cycle. It was speculated to be due to the variation of the non-equilibrium segregation state of solute atoms at the grain boundaries. In addition, the pressure stress in the welding process can promote abnormal grain growth in the post-weld heat treatment.

  11. MESOSCALE SIMULATIONS OF MICROSTRUCTURE AND TEXTURE EVOLUTION DURING DEFORMATION OF COLUMNAR GRAINS

    International Nuclear Information System (INIS)

    Sarma, G.

    2001-01-01

    In recent years, microstructure evolution in metals during deformation processing has been modeled at the mesoscale by combining the finite element method to discretize the individual grains with crystal plasticity to provide the constitutive relations. This approach allows the simulations to capture the heterogeneous nature of grain deformations due to interactions with neighboring grains. The application of this approach to study the deformations of columnar grains present in solidification microstructures is described. The microstructures are deformed in simple compression, assuming the easy growth direction of the columnar grains to be parallel to the compression axis in one case, and perpendicular in the other. These deformations are similar to those experienced by the columnar zones of a large cast billet when processed by upsetting and drawing, respectively. The simulations show that there is a significant influence of the initial microstructure orientation relative to the loading axis on the resulting changes in grain shape and orientation

  12. Continuous observation of cavity growth and coalescence by creep-fatigue tests in SEM

    International Nuclear Information System (INIS)

    Arai, Masayuki; Ogata, Takashi; Nitta, Akito

    1995-01-01

    Structural components operating at high temperatures in power plants are subjected to interaction of thermal fatigue and creep which results in creep-fatigue damage. In evaluating the life of those components, it is important to understand microscopic damage evolution under creep-fatigue conditions. In this study, static creep and creep-fatigue tests with tensile holdtime were conducted on SUS304 stainless steel by using a high-temperature fatigue machine combined with a scanning electron microscope (SEM), and cavity growth and coalescence behaviors on surface grain boundaries were observed continuously by the SEM. Quantitative analysis of creep cavity growth based on the observation was made for comparison with theoretical growth models. As a result, it was found that grain boundary cavities nucleate at random and grow preferentially on grain boundaries in a direction almost normal to the stress axis. Under the creep condition, the cavities grow monotonously on grain boundaries while they remain the elliptical shape. On the other hand, under the creep-fatigue condition the cavities grow with an effect of local strain distribution around the grain boundary due to cyclic loading and the micro cracks of one grain-boundary length were formed by coalescence of the cavities. Also, cavity nucleation and growth rates for creep-fatigue were more rapid than those for static creep and the constrained cavity growth model coincided well with the experimental data for creep. (author)

  13. 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.

  14. 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)

  15. 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.

  16. 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.

  17. 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

  18. 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

  19. Secondary recrystallization in non-sag W filament wires -- On the possible role of relative grain boundary character distribution

    International Nuclear Information System (INIS)

    Samajdar, I.; Watte, P.; Mertens, F.

    1999-01-01

    Non-Sag tungsten (W) wire is indispensable for the lighting industry. For the necessary creep resistance, large elongated grains are considered as the desired microstructure. These large grains are obtained by primary and secondary recrystallization. In the present study an effort has been made to characterize and to understand the origin of such large elongated grains. In secondary recrystallization, often called abnormal grain growth, a few of the grains grow massive. The mechanisms of normal and abnormal grain growth are essentially the same, involving high angle boundary migration and driven by the reduction of surface energy. The abnormal grain growth can be visualized as a growth advantage for a few of the grains or growth disadvantage for the majority. Such an advantage/disadvantage may be caused by (1) differences in grain size and/or (2) differences in grain boundary character distribution (GBCD). In other words, a grain may grow massive if it has large size and/or possibilities of more favorable (i.e., of higher mobility) grain boundaries with the matrix grains

  20. Effect of time and temperature on grain size of V and V-Cr-Ti alloys

    International Nuclear Information System (INIS)

    Natesan, K.; Rink, D.L.

    1996-01-01

    Grain growth studies were conducted to evaluate the effect of time and temperature on the grain size of pure V, V-4 wt.%Cr-4 wt.%Ti, and V-5 wt.%Cr-5 wt.%Ti alloys. The temperatures used in the study were 500, 650, 800, and 1000 degrees C, and exposure times ranged between 100 and ∼5000 h. All three materials exhibited negligible grain growth at 500, 650, and 800 degrees C, even after ∼5000 h. At 1000 degrees C, pure V showed substantial grain growth after only 100 h, and V-4Cr-4Ti showed growth after 2000 h, while V-5Cr-5Ti showed no grain growth after exposure for up to 2000 h

  1. 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.

  2. 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

  3. 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.

  4. Effects of snow grain non-sphericity on climate simulations: Sensitivity tests with the NorESM model

    Science.gov (United States)

    Räisänen, Petri; Makkonen, Risto; Kirkevåg, Alf

    2017-04-01

    Snow grains are non-spherical and generally irregular in shape. Still, in radiative transfer calculations, they are often treated as spheres. 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 work, 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 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 (≈ 0.78 in the visible region) than in the spherical case (≈ 0.89). Therefore, for a given snow grain size, the use of non-spherical snow grains yields a higher snow broadband albedo, typically by ≈0.03. Consequently, considering the spherical case as the baseline, the use of non-spherical snow grains results in a negative radiative forcing (RF), with a global-mean top-of-the-model value of ≈ -0.22 W m-2. Although this global-mean RF is modest, it has a rather substantial impact on the climate simulated by NoRESM. In particular, 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 found that the difference between NONSPH and SPH could be largely "tuned away" by adjusting the snow grain size in the NONSPH experiment by ≈ 70%. The impact of snow grain shape on the radiative effect (RE) of absorbing aerosols in snow (black carbon and mineral dust) is also discussed. For an

  5. 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

  6. Crop model improvement reduces the uncertainty of the response to temperature of multi-model ensembles

    DEFF Research Database (Denmark)

    Maiorano, Andrea; Martre, Pierre; Asseng, Senthold

    2017-01-01

    of models needed in a MME. Herein, 15 wheat growth models of a larger MME were improved through re-parameterization and/or incorporating or modifying heat stress effects on phenology, leaf growth and senescence, biomass growth, and grain number and size using detailed field experimental data from the USDA...... ensemble percentile range) of grain yields simulated by the MME on average by 39% in the calibration data set and by 26% in the independent evaluation data set for crops grown in mean seasonal temperatures >24 °C. MME mean squared error in simulating grain yield decreased by 37%. A reduction in MME...

  7. 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

  8. 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.

  9. 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.

  10. Effect of grain refiner on intermetallic phase formation in directional solidification of 6xxx series wrought Al alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sha, G.; O' Reilly, K.; Cantor, B. [Oxford Univ. (United Kingdom). Centre for Adv. Mat. and Composites; Hamerton, R.; Worth, J.

    2000-07-01

    The effect of a grain refiner on the formation of intermetallic phases in a directionally solidified (Bridgman grown) model 6xxx series wrought Al alloy has been investigated using X-ray diffractometry (XRD), transmission electron microscopy (TEM) and differential scanning calorimetry (DSC). A base alloy with and without Al-Ti-B grain refiner was directionally solidified in a Bridgman furnace at growth velocities in the range of 5-120 mm/min. In both cases, the Fe-containing intermetallic phases present were found to be mainly {alpha}-AlFeSi and {beta}-AlFeSi. However, in the alloy with grain refiner solidified at 5mm/min, Al{sub 13}Fe{sub 4} was also observed. Quantitative XRD results indicated that the addition of Al-Ti-B grain refiner has a strong influence on the relative quantities of intermetallic phases forming during solidification at different growth velocities, which was also confirmed by TEM observations. TEM observations also show that depending on where the {beta}-AlFeSi particles solidified e.g. grain boundaries or triple grain junctions, the size and morphology of the particles may change dramatically. TiB{sub 2} particles were observed to nucleate {beta}-AlFeSi at low and high growth velocities in the 6xxx series Al alloys. (orig.)

  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. 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

  13. Comparison of alternative beef production systems based on forage finishing or grain-forage diets with or without growth promotants: 2. Meat quality, fatty acid composition, and overall palatability.

    Science.gov (United States)

    Faucitano, L; Chouinard, P Y; Fortin, J; Mandell, I B; Lafrenière, C; Girard, C L; Berthiaume, R

    2008-07-01

    Five beef cattle management regimens were evaluated for their effect on meat quality, fatty acid composition, and overall palatability of the longis-simus dorsi (LD) muscle in Angus cross steers. A 98-d growing phase was conducted using grass silage with or without supplementation of growth promotants (Revalor G and Rumensin) or soybean meal. Dietary treatments in the finishing phase were developed with or without supplementation of growth promotants based on exclusive feeding of forages with no grain supplementation, or the feeding of grain:forage (70:30) diets. Growth promotants increased (P forages increased the proportion of cis-9, cis-12, cis-15 C18:3 as well as several other isomers of the n-3 family and decreased in the ratio of n-6 to n-3 fatty acids in the LD muscle as compared with supplementing grain (P forage-based diet increased (P Forage feeding also increased the proportion of cis-9, trans-11 C18:2 (P forage-finishing and growth promotants-free beef production system.

  14. 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.

  15. 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.

  16. The equilibrium and oscillations of dust grains in a discharge

    International Nuclear Information System (INIS)

    Cramer, N.F.; Vladimirov, S.V.

    2000-01-01

    , position, and trapping of dust grains, as well as the frequencies of waves in arrays of grains, strongly depend on the parameters of the plasma. A 3-D molecular dynamics simulation model to study the kinetics of plasma particles around a stationary dust grain in the presence of an ion flow. The model is self-consistent, involving the dynamics of plasma electrons and ions as well as charging of the dust grain. The effect of ion focusing is investigated as a function of the ion flow velocity. Distributions of electron and ion number densities, and electrostatic plasma potential are obtained. A 3-D particle-in-cell (PIC) simulation to model the dynamics of the motion and charging of a macroscopic dust particle in a plasma with an ion flow. It is demonstrated that the presence of the ion flow is important for the rapid growth of the kinetic energy of the dust particle levitating in an external parabolic potential

  17. A new look at grain size and load effects in the hardness of ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Krell, A. [Fraunhofer-Institut fuer Keramische Technologien und Sinterwerkstoffe (IKTS), Dresden (Germany)

    1998-05-01

    A simple model describes the load effect (size effect) in the hardness, assuming an increasing microplastic deformability, when the further extension of the plastic zone growth and multiplication of pre-existing elements of plasticity are more effective than the generation of new dislocations or twins in the virgin material around the indentation site. The model explains experiments with sintered alumina which indicate a reduced load effect in increasingly fine-grained microstructures due to a grain size effect that is more pronounced at higher testing loads (larger indents) than in the microhardness range. A large difference between the hardness of plastically deformed volumes in single crystals and in polycrystalline microstructures consisting of grains with the same size, respectively, reveals a substantial contribution of the grain boundaries to plastic deformation at the indentation site even at room temperature and even for coarser microstructures. (orig.) 18 refs.

  18. Raising yield potential of wheat. III. Optimizing partitioning to grain while maintaining lodging resistance.

    Science.gov (United States)

    Foulkes, M John; Slafer, Gustavo A; Davies, William J; Berry, Pete M; Sylvester-Bradley, Roger; Martre, Pierre; Calderini, Daniel F; Griffiths, Simon; Reynolds, Matthew P

    2011-01-01

    A substantial increase in grain yield potential is required, along with better use of water and fertilizer, to ensure food security and environmental protection in future decades. For improvements in photosynthetic capacity to result in additional wheat yield, extra assimilates must be partitioned to developing spikes and grains and/or potential grain weight increased to accommodate the extra assimilates. At the same time, improvement in dry matter partitioning to spikes should ensure that it does not increase stem or root lodging. It is therefore crucial that improvements in structural and reproductive aspects of growth accompany increases in photosynthesis to enhance the net agronomic benefits of genetic modifications. In this article, six complementary approaches are proposed, namely: (i) optimizing developmental pattern to maximize spike fertility and grain number, (ii) optimizing spike growth to maximize grain number and dry matter harvest index, (iii) improving spike fertility through desensitizing floret abortion to environmental cues, (iv) improving potential grain size and grain filling, and (v) improving lodging resistance. Since many of the traits tackled in these approaches interact strongly, an integrative modelling approach is also proposed, to (vi) identify any trade-offs between key traits, hence to define target ideotypes in quantitative terms. The potential for genetic dissection of key traits via quantitative trait loci analysis is discussed for the efficient deployment of existing variation in breeding programmes. These proposals should maximize returns in food production from investments in increased crop biomass by increasing spike fertility, grain number per unit area and harvest index whilst optimizing the trade-offs with potential grain weight and lodging resistance.

  19. 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.

  20. Interior seeding for the fabrication of single-grain REBCO bulk superconductors

    International Nuclear Information System (INIS)

    Kim, C-J; Park, S-D; Jun, B-H; Park, H-W

    2016-01-01

    This study presents a new seeding technique, named ‘interior seeding’ which allows the growth of a single REBCO (RE: rare-earth elements) grain in the interior of REBCO compacts. The key techniques of interior seeding are to provide appropriate open space for seeds in the interior of REBCO powder compacts to supply air or oxygen to the seeds, and to minimize the contact area between the seeds and liquid. The advantages of interior seeding are as follows: (1) simultaneous growth from the seed to the top and bottom of the REBCO compacts is possible, (2) fractions of the a-b growth sector and the a-c growth sector on the top surface can be controlled and (3) the top surfaces of the single-grain REBCO bulk superconductors are free from samarium or neodymium contamination from the used seeds. The very large single-grain Y 1.5 Ba 2 Cu 3 O 7−y (Y1.5) bulk superconductors (42 mm) were successfully fabricated using a melt growth (MG) process combined with interior seeding. Also, large-grain Y1.5 bulk superconductors (41 mm) with 〈110〉/〈110〉 and 〈100〉/〈100〉 grain junctions were fabricated using multiple interior seeding. In this paper, the detailed process of interior seeding, the development of top surface patterns and the properties of single-grain Y123 bulk superconductors fabricated using interior seeding were reported. (paper)

  1. 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

  2. The effect of the Tom Thumb dwarfing gene on grain size and grain number of wheat (Triticum aestivum)

    International Nuclear Information System (INIS)

    Gale, M.D.; Flintham, J.E.

    1984-01-01

    The Tom Thumb dwarfing gene, Rht3, like the related genes Rht1 and Rht2 from Norin 10, has pleiotropic effects on individual ear yields, and grain protein concentrations. An experiment was conducted in which tiller number per plant and grain number per spike were restricted to ascertain whether reduced grain size and protein content are primary or secondary competitive effects in near-isogenic lines. The potential for grain growth was shown to be identical in Rht3 and rht genotypes when grain set was restricted, indicating that the primary effect of the gene is to increase spikelet fertility. Nitrogen accumulation within the grain was also affected by inter-grain competition but decreased nitrogen yields per plant indicated that reduced protein levels are, in part, a primary effect of the gene. Analysis of individual grain yields within Rht3 and rht spikes showed that the gene affected developmental 'dominance' relationships within the spike. (author)

  3. 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.

  4. 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.

  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. 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.

  7. Behavior of Goss, {411}<148>, and {111}<112> Oriented Grains During Recrystallization and Decarburization After Cold-rolling of Fe-3.1% GrainOriented Electrical Steel

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Sung-Ji; Park, No-Jin [Kumoh National Institute of Technology, Gumi (Korea, Republic of); Joo, Hyung-Don; Park, Jong-Tae [POSCO, Pohang (Korea, Republic of)

    2016-07-15

    Grain-oriented electrical steel is used as a core material in transformers and motors. To obtain improved magnetic properties from the grain-oriented electrical steel, the steel should have a strong {110}<001> Goss texture. Recently, controlled manufacturing processes have been employed for developing electrical steels with a strong Goss texture. It is important to carry out research on the {411}<148> and {111}<112> oriented grains in relation to coincidence site lattice (CSL) boundaries, as they have an effect on the easy growth of the Goss grains upon secondary recrystallization. In this study, the behavior of the{411}<148> and {111}<112> oriented grains, which are neighbored with Goss grains after recrystallization with rapid and typical heating rates, and after decarburization, was examined by using x-ray diffraction (XRD) and electron back-scattered diffraction (EBSD) measurements. In the decarburized specimen, the Goss grains encroached the {411}<148> and {111}<112> oriented grains to a greater extent with a rapid heating rate than with a typical heating rate, and larger Goss grains were observed with the rapid heating rate. The {111}<112> oriented grains especially affect the easy growth of the Goss grains, as they are located near the Goss grains. Therefore, larger Goss grains can be produced at rapid heating rates, and the product is estimated to exhibit improved magnetic properties after secondary recrystallization.

  8. Numerical simulations of crystal growth in a transdermal drug delivery system

    Science.gov (United States)

    Zeng, Jianming; Jacob, Karl I.; Tikare, Veena

    2004-02-01

    Grain growth by precipitation and Ostwald ripening in an unstressed matrix of a dissolved crystallizable component was simulated using a kinetic Monte Carlo model. This model was used previously to study Ostwald ripening in the high crystallizable component regime and was shown to correctly simulate solution, diffusion and precipitation. In this study, the same model with modifications was applied to the low crystallizable regime of interest to the transdermal drug delivery system (TDS) community. We demonstrate the model's utility by simulating precipitation and grain growth during isothermal storage at different supersaturation conditions. The simulation results provide a first approximation for the crystallization occurring in TDS. It has been reported that for relatively higher temperature growth of drug crystals in TDS occurs only in the middle third of the polymer layer. The results from the simulations support these findings that crystal growth is limited to the middle third of the region, where the availability of crystallizable components is the highest, for cluster growth at relatively high temperature.

  9. 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

  10. 3D studies of coarserning kinetics of individual grains

    DEFF Research Database (Denmark)

    Poulsen, Stefan Othmar

    Techniques for fast, non-destructive characterization of the microstructure of materials using synchrotron X-ray radiation have in recent years become an important tool in materials science. The non-destructive nature of the techniques allows for time-resolved characterization of three-dimensiona......Techniques for fast, non-destructive characterization of the microstructure of materials using synchrotron X-ray radiation have in recent years become an important tool in materials science. The non-destructive nature of the techniques allows for time-resolved characterization of three......-dimensional microstructures, i.e. direct probing of the evolution of specific microstructural features. Synchrotron X-ray radiation techniques have in the present work been employed for experimental characterization of microstructural evolution in individual grains during isothermal annealing: For a study of individual...... grains during recrystallization, where the recrystallization kinetics of individual grains and the temperature dependence of the recrystallization rate is examined, and for a study of grain structure and grain growth, where growth predictions are put forth in terms of the grain size and topology...

  11. 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

  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. Role of high microwave power on growth and microstructure of thick nanocrystalline diamond films: A comparison with large grain polycrystalline diamond films

    Science.gov (United States)

    Tang, C. J.; Fernandes, A. J. S.; Girão, A. V.; Pereira, S.; Shi, Fa-Nian; Soares, M. R.; Costa, F.; Neves, A. J.; Pinto, J. L.

    2014-03-01

    In this work, we study the growth habit of nanocrystalline diamond (NCD) films by exploring the very high power regime, up to 4 kW, in a 5 kW microwave plasma chemical vapour deposition (MPCVD) reactor, through addition of a small amount of nitrogen and oxygen (0.24%) into 4% CH4 in H2 plasma. The coupled effect of high microwave power and substrate temperature on NCD growth behaviour is systematically investigated by varying only power, while fixing the remaining operating parameters. When the power increases from 2 kW to 4 kW, resulting also in rise of the Si substrate temperature higher than 150 °C, the diamond films obtained maintain the NCD habit, while the growth rate increases significantly. The highest growth rate of 4.6 μm/h is achieved for the film grown at 4 kW, which represents a growth rate enhancement of about 15 times compared with that obtained when using 2 kW power. Possible factors responsible for such remarkable growth rate enhancement of the NCD films are discussed. The evolution of NCD growth characteristics such as morphology, microstructure and texture is studied by growing thick films and comparing it with that of large grain polycrystalline (PCD) films. One important characteristic of the NCD films obtained, in contrast to PCD films, is that irrespective of deposition time (i.e. film thickness), their grain size and surface roughness remain in the nanometer range throughout the growth. Finally, based on our present and previous experimental results, a potential parameter window is established for fast growth of NCD films under high power conditions.

  14. 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.

  15. 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.

  16. Grain-size distributions and grain boundaries of chalcopyrite-type thin films

    International Nuclear Information System (INIS)

    Abou-Ras, D.; Schorr, S.; Schock, H.W.

    2007-01-01

    CuInSe 2 , CuGaSe 2 , Cu(In,Ga)Se 2 and CuInS 2 thin-film solar absorbers in completed solar cells were studied in cross section by means of electronbackscatter diffraction. From the data acquired, grain-size distributions were extracted, and also the most frequent grain boundaries were determined. The grain-size distributions of all chalcopyrite-type thin films studied can be described well by lognormal distribution functions. The most frequent grainboundary types in these thin films are 60 - left angle 221 right angle tet and 71 - left angle 110 right angle tet (near) Σ3 twin boundaries. These results can be related directly to the importance of {112} tet planes during the topotactical growth of chalcopyrite-type thin films. Based on energetic considerations, it is assumed that the most frequent twin boundaries exhibit a 180 - left angle 221 right angle tet constellation. (orig.)

  17. Fenton process-affected transformation of roxarsone in paddy rice soils: Effects on plant growth and arsenic accumulation in rice grain.

    Science.gov (United States)

    Qin, Junhao; Li, Huashou; Lin, Chuxia

    2016-08-01

    Batch and greenhouse experiments were conducted to examine the effects of Fenton process on transformation of roxarsone in soils and its resulting impacts on the growth of and As uptake by a rice plant cultivar. The results show that addition of Fenton reagent markedly accelerated the degradation of roxarsone and produced arsenite, which was otherwise absent in the soil without added Fenton reagent. Methylation of arsenate was also enhanced by Fenton process in the earlier part of the experiment due to abundant supply of arsenate from Roxarsone degradation. Overall, addition of Fenton reagent resulted in the predominant presence of arsenate in the soils. Fenton process significantly improved the growth of rice in the maturity stage of the first crop, The concentration of methylated As species in the rice plant tissues among the different growth stages was highly variable. Addition of Fenton reagent into the soils led to reduced uptake of soil-borne As by the rice plants and this had a significant effect on reducing the accumulation of As in rice grains. The findings have implications for understanding As biogeochemistry in paddy rice field receiving rainwater-borne H2O2 and for development of mitigation strategies to reduce accumulation of As in rice grains. Copyright © 2016 Elsevier Inc. All rights reserved.

  18. 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

  19. Grain interaction mechanisms leading to intragranular orientation spread in tensile deformed bulk grains of interstitial-free steel

    DEFF Research Database (Denmark)

    Winther, Grethe; Wright, Jonathan P.; Schmidt, Søren

    2017-01-01

    environments representing the bulk texture, yet their deformation-induced rotations are very different. The ALAMEL model is employed to analyse the grain interaction mechanisms. Predictions of this model qualitatively agree with the directionality and magnitude of the experimental orientation spread. However......, quantitative agreement requires fine-tuning of the boundary conditions. The majority of the modelled slip is accounted for by four slip systems also predicted to be active by the classical Taylor model in uniaxial tension, and most of the orientation spread along the grain boundaries is caused by relative...... variations in the activities of these. Although limited to two grains, the findings prove that shear at the grain boundaries as accounted for by the ALAMEL model is a dominant grain interaction mechanism....

  20. Simulation of uranium oxides reduction kinetics by hydrogen. Reactivities of germination and growth

    International Nuclear Information System (INIS)

    Brun, C.

    1997-01-01

    The aim of this work is to simulate the reduction by hydrogen of the tri-uranium octo-oxide U 3 O 8 (obtained by uranium trioxide calcination) into uranium dioxide. The kinetics curves have been obtained by thermal gravimetric analysis, the hydrogen and steam pressures being defined. The geometrical modeling which has allowed to explain the trend of the kinetics curves and of the velocity curves is an anisotropic germination-growth modeling. The powder is supposed to be formed of spherical grains with the same radius. The germs of the new UO 2 phase appear at the surface of the U 3 O 8 grains with a specific germination frequency. The growth reactivity is anisotropic and is very large in the tangential direction to the grains surface. Then, the uranium dioxide growths inside the grain and the limiting step is the grain surface. The variations of the growth reactivity and of the germination specific frequency in terms of the gases partial pressures and of the temperature have been explained by two different mechanisms. The limiting step of the growth mechanism is the desorption of water in the uranium dioxide surface. Concerning the germination mechanism the limiting step is a water desorption too but in the tri-uranium octo-oxide surface. The same geometrical modeling and the same germination and growth mechanisms have been applied to the reduction of a tri-uranium octo-oxide obtained by calcination of hydrated uranium trioxide. The values of the germination specific frequency of this solid are nevertheless weaker than those of the solid obtained by direct calcination of the uranium trioxide. (O.M.)

  1. Grain topology in Ti-6Al-4V welds-Monte Carlo simulation and experiments

    International Nuclear Information System (INIS)

    Mishra, S; DebRoy, T

    2004-01-01

    The importance of topological features of grains in the evolution of grain structure is well recognized in isothermal systems. However, during fusion welding, strong spatial gradients of temperature exist in the heat-affected zone (HAZ), and this region undergoes rapid heating and cooling. The effects of spatial and temporal variations of temperature on the topological class distribution, relationship between size and topology of grains and the interdependence between grain topology and its neighbours are not known. Topological features of grains in the HAZ of Ti-6Al-4V alloy welds were measured for various heat inputs in the range 0.55-4.33 MJ m -1 . The topological class distributions were also calculated using a three-dimensional Monte Carlo model utilizing thermal cycles computed from a well tested numerical heat transfer and fluid flow model. The computed results showed that the topological class distributions were unaffected by the spatial and temporal variations of temperature. Experimental investigations of a few sections confirmed the simulation results. The average grain size for each edge class varied linearly with the edge class number. The local topological environment, i.e. the average number of sides of neighbours, n n , varied linearly with the inverse of the number of sides of grains, 1/n r , at a given location in the HAZ. Locations with the same topological environment showed the same grain size, indicating the significant influence of grain topology on grain growth in the HAZ

  2. Grain boundaries of nanocrystalline materials - their widths, compositions, and internal structures

    International Nuclear Information System (INIS)

    Fultz, B.; Frase, H.N.

    2000-01-01

    Nanocrystalline materials contain many atoms at and near grain boundaries. Sufficient numbers of Moessbauer probe atoms can be situated in grain boundary environments to make a clear contribution to the measured Moessbauer spectrum. Three types of measurements on nanocrystalline materials are reported here, all using Moessbauer spectrometry in conjunction with X-ray diffractometry, transmission electron microscopy, or small angle neutron scattering. By measuring the fraction of atoms contributing to the grain boundary component in a Moessbauer spectrum, and by knowing the grain size of the material, it is possible to deduce the average width of grain boundaries in metallic alloys. It is found that these widths are approximately 0.5 nm for fcc alloys and slightly larger than 1.0 nm for bcc alloys.Chemical segregation to grain boundaries can be measured by Moessbauer spectrometry, especially in conjunction with small angle neutron scattering. Such measurements on Fe-Cu and Fe 3 Si-Nb were used to study how nanocrystalline materials could be stabilized against grain growth by the segregation of Cu and Nb to grain boundaries. The segregation of Cu to grain boundaries did not stabilize the Fe-Cu alloys against grain growth, since the grain boundaries were found to widen and accept more Cu atoms during annealing. The Nb additions to Fe 3 Si did suppress grain growth, perhaps because of the low mobility of Nb atoms, but also perhaps because Nb atoms altered the chemical ordering in the alloy.The internal structure of grain boundaries in nanocrystalline materials prepared by high-energy ball milling is found to be unstable against internal relaxations at low temperatures. The Moessbauer spectra of the nanocrystalline samples showed changes in the hyperfine fields attributable to movements of grain boundary atoms. In conjunction with SANS measurements, the changes in grain boundary structure induced by cryogenic exposure and annealing at low temperature were found to be

  3. 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.

  4. 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.

  5. 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.

  6. Fine-grained zirconium-base material

    Science.gov (United States)

    Van Houten, G.R.

    1974-01-01

    A method is described for making zirconium with inhibited grain growth characteristics, by the process of vacuum melting the zirconium, adding 0.3 to 0.5% carbon, stirring, homogenizing, and cooling. (Official Gazette)

  7. 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.

  8. Fabrication and electrical properties of textured strontium(0.53)barium(0.47)niobium(2)oxygen(6) ceramics prepared by templated grain growth

    Science.gov (United States)

    Duran, Cihangir

    Sr0.53Ba0.47Nb2O6 (SBN53) ceramics were textured by the templated grain growth (TGG), in a matrix of SrNb2O6 and BaNb2O6 powders. Acicular KSr2Nb5O15 (KSN) template particles, synthesized by a molten salt process, were used to texture the samples in the c direction (i.e., [001]). Template growth was assisted by adding V2O5 as a liquid phase former for some compositions. The texture fraction also increased with higher sintering temperatures or times and with initial template concentration due to the preferential growth of the template particles. When V2O5 was present, SBN53 phase formation initiated on the KSN templates and texture development started at temperatures as low as 950°C. Phase formation in the V2O5-free samples, however, initiated in the matrix (i.e., independent of the KSN templates). The liquid phase adversely affected the template growth by favoring anisotropic grain growth in the matrix, which caused lower texture fraction and broader texture distribution in [001] at low template concentrations. Increased template-template interaction (e.g., tangling) during tape casting also resulted in broader texture distribution. Therefore, an optimum template content was found to be ˜10--15 wt%. However, a texture fraction of 0.93 to 0.98 was obtained using only 5 wt% templates when anisotropic matrix grain growth was prevented. Phase evolution was studied in the randomly oriented samples as a function of quenching temperature, heating rate, and liquid phase, using KSN powder (rather than acicular particles) as a seed material. The formation temperature for SBN53 was lowered substantially by adding more seeds, decreasing the heating rate, and introducing a liquid. The temperature decreased from 1260°C for the samples with no seeds to 1130°C for the samples with 15.4 wt% seeds + 0.8 mol% V2O5 at a heating rate of 4°C/min. For the V2O5-free samples, the activation energy was considerably lowered from 554 +/- 15 kJ/mol for the samples with no seeds to 241

  9. Current research progress in grain refinement of cast magnesium alloys: A review article

    International Nuclear Information System (INIS)

    Ali, Yahia; Qiu, Dong; Jiang, Bin; Pan, Fusheng; Zhang, Ming-Xing

    2015-01-01

    Grain refinement of cast magnesium alloys, particularly in magnesium–aluminium (Mg–Al) based alloys, has been an active research topic in the past two decades, because it has been considered as one of the most effective approaches to simultaneously increase the strength, ductility and formability. The development of new grain refiners was normally based on the theories/models that were established through comprehensive and considerable studies of grain refinement in cast Al alloys. Generally, grain refinement in cast Al can be achieved through either inoculation treatment, which is a process of adding, or in situ forming, foreign particles to promote heterogeneous nucleation rate, or restricting grain growth by controlling the constitutional supercooling or both. But, the concrete and tangible grain refinement mechanism in cast metals is still not fully understood and there are a number of controversies. Therefore, most of the new developed grain refiners for Mg–Al based alloys are not as efficient as the commercially available ones, such as zirconium in non-Al containing Mg alloys. To facilitate the research in grain refinement of cast magnesium alloys, this review starts with highlighting the theoretical aspects of grain refinement in cast metals, followed by reviewing the latest research progress in grain refinement of magnesium alloys in terms of the solute effect and potent nucleants

  10. Current research progress in grain refinement of cast magnesium alloys: A review article

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Yahia; Qiu, Dong [School of Mechanical and Mining Engineering, University of Queensland, St Lucia, QLD 4072 (Australia); Jiang, Bin; Pan, Fusheng [College of Materials Science and Engineering, Chongqing University, Chongqing 400030 (China); Zhang, Ming-Xing, E-mail: Mingxing.Zhang@uq.edu.au [School of Mechanical and Mining Engineering, University of Queensland, St Lucia, QLD 4072 (Australia)

    2015-01-15

    Grain refinement of cast magnesium alloys, particularly in magnesium–aluminium (Mg–Al) based alloys, has been an active research topic in the past two decades, because it has been considered as one of the most effective approaches to simultaneously increase the strength, ductility and formability. The development of new grain refiners was normally based on the theories/models that were established through comprehensive and considerable studies of grain refinement in cast Al alloys. Generally, grain refinement in cast Al can be achieved through either inoculation treatment, which is a process of adding, or in situ forming, foreign particles to promote heterogeneous nucleation rate, or restricting grain growth by controlling the constitutional supercooling or both. But, the concrete and tangible grain refinement mechanism in cast metals is still not fully understood and there are a number of controversies. Therefore, most of the new developed grain refiners for Mg–Al based alloys are not as efficient as the commercially available ones, such as zirconium in non-Al containing Mg alloys. To facilitate the research in grain refinement of cast magnesium alloys, this review starts with highlighting the theoretical aspects of grain refinement in cast metals, followed by reviewing the latest research progress in grain refinement of magnesium alloys in terms of the solute effect and potent nucleants.

  11. The variable potency of TiB{sub 2} nucleant particles in the grain refinement of aluminium by Al-Ti-B additions

    Energy Technology Data Exchange (ETDEWEB)

    Quested, T.E.; Greer, A.L. [Cambridge Univ. (United Kingdom). Dept. of Metallurgy and Materials Science; Cooper, P.S. [London and Scandinavian Metallurgical Co. Ltd., Rotherham (United Kingdom)

    2002-07-01

    The development of Al-Ti-B grain-refiners is outlined. The relationships between nucleant particle potency, number and volume efficiencies, and overall refiner performance are explored. The importance of the particle size distribution is illustrated using hypothetical log-normal distributions in a thermal model for grain refinement which uses a free-growth criterion for grain initiation. In this way the degree of optimization of a current commercial refiner is assessed. (orig.)

  12. Accumulation and conversion of sugars by developing wheat grains. VII. Effect of changes in sieve tube and endosperm cavity sap concentrations on the grain filling rate

    International Nuclear Information System (INIS)

    Fisher, D.B.; Gifford, R.M.

    1987-01-01

    The extent to which wheat grain growth is dependent on transport pool solute concentration was investigated by the use of illumination and partial grain removal to vary solute concentrations in the sieve tube and endosperm cavity saps of the wheat ear (Triticum aestivum L.). Short-term grain growth rates were estimated indirectly from the product of phloem area, sieve tube sap concentration, and 32 P translocation velocity. On a per grain basis, calculated rates of mass transport through the peduncle were fairly constant over a substantial range in other transport parameters (i.e. velocity, concentration, phloem area, and grain number). The rates were about 40% higher than expected; this probably reflects some unavoidable bias on faster-moving tracer in the velocity estimates. Sieve tube sap concentration increased in all experiments (by 20 to 64%), with a concomitant decline in velocity (to as low as 8% of the initial value). Endosperm cavity sucrose concentration also increased in all experiments, but cavity sap osmolality and total amino acid concentration remained nearly constant. No evidence was found for an increase in the rate of mass transport per grain through the peduncle in response to the treatments. This apparent unresponsiveness of grain growth rate to increased cavity sap sucrose concentration conflicts with earlier in vitro endosperm studies showing that sucrose uptake increased with increasing external sucrose concentration up to 150 to 200 millimolar

  13. The influence of slow cooling on Y211 size and content in single-grain YBCO bulk superconductor through the infiltration-growth process

    Energy Technology Data Exchange (ETDEWEB)

    Ouerghi, A [Systems and Applied Mechanics Laboratory LASMAP, Polytechnic School of Tunisia, Rue El Kawarezmi La Marsa 743, Université de Carthage Tunis (Tunisia); Moutalbi, N., E-mail: nahed.moutalbi@yahoo.fr [Systems and Applied Mechanics Laboratory LASMAP, Polytechnic School of Tunisia, Rue El Kawarezmi La Marsa 743, Université de Carthage Tunis (Tunisia); Noudem, J.G. [CRISMAT-ENSICAEN (UMR-CNRS 6508), Université de Caen-Basse-Normandie, F-14050 Caen (France); LUSAC, Université de Caen-Basse-Normandie F-50130 Cherbourg-Octeville (France); M' chirgui, A. [Systems and Applied Mechanics Laboratory LASMAP, Polytechnic School of Tunisia, Rue El Kawarezmi La Marsa 743, Université de Carthage Tunis (Tunisia)

    2017-03-15

    Highlights: • YBCO bulk superconductors are produced by optimized Seeded Infiltration and Growth process. • The slow cooling time, in a fixed slow cooling temperature window, affects considerably the surface morphology and the bulk’s microstructure. • The Y211 particle’s size and content depend on the slow cooling time and its distribution behavior changes from one position to another. • There is an optimum slow cooling time, estimated to 88h, over which the shrinkage for both the liquid phase and the Y211 pellet is maximal, without any improvement of the crystal grain growth. • The magnetic trapped flux distribution for a given sample brings out the single grain characteristic. - Abstract: Highly textured YBa{sub 2}Cu{sub 3}O{sub 7-δ} (Y123) superconductors were produced using modified Textured Top Seeded Infiltration Growth (TSIG) process. The liquid source is made of only Y123 powder whereas the solid source is composed of Y{sub 2}BaCuO{sub 5} (Y211) powder. We aim to control the amount of liquid that infiltrates the solid pellet, which in turn controls the final amount of Y{sub 2}BaCuO{sub 5} particles in Y123 matrix. The effect of the slow cooling kinetics on sample morphology, on grain growth and on final microstructure was too investigated. It is shown that appropriate slow cooling time may also contribute to the control of the amount of Y211 inclusions in the final structure of Y123 bulk. We report herein the Y211 particle size and density distribution in the whole Y123 matrix. The present work proves that finest Y211 particles locate under the seed and that their size and density increase with distance from the seed.

  14. Tracer concentration contours in grain lattice and grain boundary diffusion

    International Nuclear Information System (INIS)

    Kim, Y. S.; Olander, D. R.

    1997-01-01

    Grain boundary diffusion plays a significant role in fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated during nuclear fission have to diffuse in the grain lattice and the boundary inside fuel pellets before they reach the open spaces in a fuel rod. These processes can be studied by 'tracer diffusion' techniques, by which grain boundary diffusivity can be estimated and directly used for low burn-up fission gas release analysis. However, only a few models accounting for the both processes are available and mostly handle them numerically due to mathematical complexity. Also the numerical solution has limitations in a practical use. In this paper, an approximate analytical solution in case of stationary grain boundary in a polycrystalline solid is developed for the tracer diffusion techniques. This closed-form solution is compared to available exact and numerical solutions and it turns out that it makes computation not only greatly easier but also more accurate than previous models. It can be applied to theoretical modelings for low burn-up fission gas release phenomena and experimental analyses as well, especially for PIE (post irradiation examination). (author)

  15. Gas and grain chemical composition in cold cores as predicted by the Nautilus three-phase model

    Science.gov (United States)

    Ruaud, Maxime; Wakelam, Valentine; Hersant, Franck

    2016-07-01

    We present an extended version of the two-phase gas-grain code NAUTILUS to the three-phase modelling of gas and grain chemistry of cold cores. In this model, both the mantle and the surface are considered as chemically active. We also take into account the competition among reaction, diffusion and evaporation. The model predictions are confronted to ice observations in the envelope of low-mass and massive young stellar objects as well as towards background stars. Modelled gas-phase abundances are compared to species observed towards TMC-1 (CP) and L134N dark clouds. We find that our model successfully reproduces the observed ice species. It is found that the reaction-diffusion competition strongly enhances reactions with barriers and more specifically reactions with H2, which is abundant on grains. This finding highlights the importance having a good approach to determine the abundance of H2 on grains. Consequently, it is found that the major N-bearing species on grains go from NH3 to N2 and HCN when the reaction-diffusion competition is taken into account. In the gas phase and before a few 105 yr, we find that the three-phase model does not have a strong impact on the observed species compared to the two-phase model. After this time, the computed abundances dramatically decrease due to the strong accretion on dust, which is not counterbalanced by the desorption less efficient than in the two-phase model. This strongly constrains the chemical age of cold cores to be of the order of few 105 yr.

  16. Grain Yield Observations Constrain Cropland CO2 Fluxes Over Europe

    Science.gov (United States)

    Combe, M.; de Wit, A. J. W.; Vilà-Guerau de Arellano, J.; van der Molen, M. K.; Magliulo, V.; Peters, W.

    2017-12-01

    Carbon exchange over croplands plays an important role in the European carbon cycle over daily to seasonal time scales. A better description of this exchange in terrestrial biosphere models—most of which currently treat crops as unmanaged grasslands—is needed to improve atmospheric CO2 simulations. In the framework we present here, we model gross European cropland CO2 fluxes with a crop growth model constrained by grain yield observations. Our approach follows a two-step procedure. In the first step, we calculate day-to-day crop carbon fluxes and pools with the WOrld FOod STudies (WOFOST) model. A scaling factor of crop growth is optimized regionally by minimizing the final grain carbon pool difference to crop yield observations from the Statistical Office of the European Union. In a second step, we re-run our WOFOST model for the full European 25 × 25 km gridded domain using the optimized scaling factors. We combine our optimized crop CO2 fluxes with a simple soil respiration model to obtain the net cropland CO2 exchange. We assess our model's ability to represent cropland CO2 exchange using 40 years of observations at seven European FluxNet sites and compare it with carbon fluxes produced by a typical terrestrial biosphere model. We conclude that our new model framework provides a more realistic and strongly observation-driven estimate of carbon exchange over European croplands. Its products will be made available to the scientific community through the ICOS Carbon Portal and serve as a new cropland component in the CarbonTracker Europe inverse model.

  17. SMALL GRAIN 1, which encodes a mitogen-activated protein kinase kinase 4, influences grain size in rice.

    Science.gov (United States)

    Duan, Penggen; Rao, Yuchun; Zeng, Dali; Yang, Yaolong; Xu, Ran; Zhang, Baolan; Dong, Guojun; Qian, Qian; Li, Yunhai

    2014-02-01

    Although grain size is one of the most important components of grain yield, little information is known about the mechanisms that determine final grain size in crops. Here we characterize rice small grain1 (smg1) mutants, which exhibit small and light grains, dense and erect panicles and comparatively slightly shorter plants. The short grain and panicle phenotypes of smg1 mutants are caused by a defect in cell proliferation. The smg1 mutations were identified, using a map-based cloning approach, in mitogen-activated protein kinase kinase 4 (OsMKK4). Relatively higher expression of OsMKK4/SMG1 was detected in younger organs than in older ones, consistent with its role in cell proliferation. Green fluorescent protein (GFP)-OsMKK4/SMG1 fusion proteins appear to be distributed ubiquitously in plant cells. Further results revealed that OsMKK4 influenced brassinosteroid (BR) responses and the expression of BR-related genes. Thus, our findings have identified OsMKK4 as a factor for grain size, and suggest a possible link between the MAPK pathways and BRs in grain growth. © 2013 The Authors The Plant Journal © 2013 John Wiley & Sons Ltd.

  18. Effect of noise-induced nucleation on grain size distribution studied via the phase-field crystal method

    International Nuclear Information System (INIS)

    Hubert, J; Cheng, M; Emmerich, H

    2009-01-01

    We contribute to the more detailed understanding of the phase-field crystal model recently developed by Elder et al (2002 Phys. Rev. Lett. 88 245701), by focusing on its noise term and examining its impact on the nucleation rate in a homogeneously solidifying system as well as on successively developing grain size distributions. In this context we show that principally the grain size decreases with increasing noise amplitude, resulting in both a smaller average grain size and a decreased maximum grain size. Despite this general tendency, which we interpret based on Panfilis and Filiponi (2000 J. Appl. Phys. 88 562), we can identify two different regimes in which nucleation and successive initial growth are governed by quite different mechanisms.

  19. 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

  20. The simultaneous discharge of liquid and grains from a silo

    Science.gov (United States)

    Cervantes-Álvarez, A. M.; Hidalgo-Caballero, S.; Pacheco-Vázquez, F.

    2018-04-01

    The flow rate of water through an orifice at the bottom of a container depends on the hydrostatic pressure whereas for a dry granular material it is nearly constant. But what happens during the simultaneous discharge of grains and liquid from a silo? By measuring the flow rate as a function of time, we found that (i) different regimes appear, going from the constant flow rate to a hydrostatic-like discharge depending on the aperture size and grain diameter, (ii) the mixed material is always discharged faster than dry grains but slower than liquid, (iii) for the mixture, the liquid level drops faster than the grain level, but they are always linearly proportional to one another, and (iv) a sudden growth in the flow rate happens during the transition from a biphasic discharge to a single phase discharge. These results are associated to the competition between the decrease in hydrostatic pressure above the granular bed and the hydrodynamic resistance. A model combining Darcy's law with Bernoulli and mass conservation equations is proposed, and the numerical results are in good agreement with experiments.

  1. 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.

  2. An alternative explanation for evidence that xenon depletion, pore formation, and grain subdivision begin at different local burnups

    International Nuclear Information System (INIS)

    Rest, J.; Hofman, G.L.

    2000-01-01

    In order to interpret the recent observation that xenon depletion, pore formation, and grain subdivision occur successively at increasing local burnups, a rate-theory-based model is used to investigate the nucleation and growth of cavities during low-temperature irradiation of UO 2 in the presence of irradiation-induced interstitial-loop formation and growth. Consolidation of the dislocation structure takes into account the generation of forest dislocations and capture of interstitial dislocation loops. The loops accumulate and ultimately evolve into a low-energy cellular dislocation structure. The cell walls have been previously identified as recrystallization nuclei. The calculations indicate that nanometer-size bubbles are associated with this cellular dislocation structure while the observed micron-size bubbles are presumed to be either preexisting pores deformed by adjacent grains and/or new pores formed in the new recrystallized grain-boundary junctions. Subsequent to recrystallization, gas released from the recrystallized grains feeds the preexisting pores and the recrystallized grains may appear to form a preferential concentration of subdivided grains around the growing pores. This picture is illustrated in a sequence of photomicrographs of irradiated U 3 O 8

  3. 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...

  4. 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...

  5. 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 ±...

  6. Cohesive zone model for intergranular slow crack growth in ceramics: influence of the process and the microstructure

    International Nuclear Information System (INIS)

    Romero de la Osa, M; Olagnon, C; Chevalier, J; Estevez, R; Tallaron, C

    2011-01-01

    Ceramic polycrystals are prone to slow crack growth (SCG) which is stress and environmentally assisted, similarly to observations reported for silica glasses. The kinetics of fracture are known to be dependent on the load level, the temperature and the relative humidity. In addition, evidence is available on the influence of the microstructure on the SCG rate with an increase in the crack velocity with decreasing the grain size. Crack propagation takes place beyond a load threshold, which is grain size dependent. We present a cohesive zone model for the intergranular failure process. The methodology accounts for an intrinsic opening that governs the length of the cohesive zone and allows the investigation of grain size effects. A rate and temperature-dependent cohesive model is proposed (Romero de la Osa M, Estevez R et al 2009 J. Mech. Adv. Mater. Struct. 16 623–31) to mimic the reaction–rupture mechanism. The formulation is inspired by Michalske and Freiman's picture (Michalske and Freiman 1983 J. Am. Ceram. Soc. 66 284–8) together with a recent study by Zhu et al (2005 J. Mech. Phys. Solids 53 1597–623) of the reaction–rupture mechanism. The present investigation extends a previous work (Romero de la Osa et al 2009 Int. J. Fracture 158 157–67) in which the problem is formulated. Here, we explore the influence of the microstructure in terms of grain size, their elastic properties and residual thermal stresses originating from the cooling from the sintering temperature down to ambient conditions. Their influence on SCG for static loadings is reported and the predictions compared with experimental trends. We show that the initial stress state is responsible for the grain size dependence reported experimentally for SCG. Furthermore, the account for the initial stresses enables the prediction of a load threshold below which no crack growth is observed: a crack arrest takes place when the crack path meets a region in compression

  7. The Rosseland mean opacity of interstellar grain

    International Nuclear Information System (INIS)

    Ali, A.; El Shalaby, M.A.; El-Nawawy, M.S.

    1990-10-01

    We have calculated the opacity of interstellar grains in the temperature range 10 deg. K - 1500 deg. K. Two composite grain models have been considered. One of them consists of silicate coated with ice mantle and the second has a graphite core coated also with ice mantle. These models are compared with isolated grain models. An exact analytical and computational development of Guettler's formulae for composite grain models has been used to calculate the extinction coefficient. It has been found that the thickness of the mantle affects the opacity of the interstellar grains. The opacity of composite models differs from that of the isolated models. The effect of the different species (ice, silicate and graphite) is also clear. (author). 22 refs, 4 figs, 1 tab

  8. Pressure effect on grain boundary diffusion

    International Nuclear Information System (INIS)

    Smirnova, E.S.; Chuvil'deev, V.N.

    1997-01-01

    The influence of hydrostatic pressure on grain boundary diffusion and grain boundary migration in metallic materials is theoretically investigated. The model is suggested that permits describing changes in activation energy of grain boundary self-diffusion and diffusion permeability of grain boundaries under hydrostatic pressure. The model is based on the ideas about island-type structure of grain boundaries as well as linear relationship of variations in grain boundary free volume to hydrostatic pressure value. Comparison of theoretical data with experimental ones for a number of metals and alloys (α-Zr, Sn-Ge, Cu-In with Co, In, Al as diffusing elements) shows a qualitative agreement

  9. Predictive coarse-graining

    Energy Technology Data Exchange (ETDEWEB)

    Schöberl, Markus, E-mail: m.schoeberl@tum.de [Continuum Mechanics Group, Technical University of Munich, Boltzmannstraße 15, 85748 Garching (Germany); Zabaras, Nicholas [Institute for Advanced Study, Technical University of Munich, Lichtenbergstraße 2a, 85748 Garching (Germany); Department of Aerospace and Mechanical Engineering, University of Notre Dame, 365 Fitzpatrick Hall, Notre Dame, IN 46556 (United States); Koutsourelakis, Phaedon-Stelios [Continuum Mechanics Group, Technical University of Munich, Boltzmannstraße 15, 85748 Garching (Germany)

    2017-03-15

    We propose a data-driven, coarse-graining formulation in the context of equilibrium statistical mechanics. In contrast to existing techniques which are based on a fine-to-coarse map, we adopt the opposite strategy by prescribing a probabilistic coarse-to-fine map. This corresponds to a directed probabilistic model where the coarse variables play the role of latent generators of the fine scale (all-atom) data. From an information-theoretic perspective, the framework proposed provides an improvement upon the relative entropy method and is capable of quantifying the uncertainty due to the information loss that unavoidably takes place during the coarse-graining process. Furthermore, it can be readily extended to a fully Bayesian model where various sources of uncertainties are reflected in the posterior of the model parameters. The latter can be used to produce not only point estimates of fine-scale reconstructions or macroscopic observables, but more importantly, predictive posterior distributions on these quantities. Predictive posterior distributions reflect the confidence of the model as a function of the amount of data and the level of coarse-graining. The issues of model complexity and model selection are seamlessly addressed by employing a hierarchical prior that favors the discovery of sparse solutions, revealing the most prominent features in the coarse-grained model. A flexible and parallelizable Monte Carlo – Expectation–Maximization (MC-EM) scheme is proposed for carrying out inference and learning tasks. A comparative assessment of the proposed methodology is presented for a lattice spin system and the SPC/E water model.

  10. 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.

  11. Grain boundary migration

    International Nuclear Information System (INIS)

    Dimitrov, O.

    1975-01-01

    Well-established aspects of grain-boundary migration are first briefly reviewed (influences of driving force, temperature, orientation and foreign atoms). Recent developments of the experimental methods and results are then examined, by considering the various driving of resistive forces acting on grain boundaries. Finally, the evolution in the theoretical models of grain-boundary motion is described, on the one hand for ideally pure metals and, on the other hand, in the presence of solute impurity atoms [fr

  12. 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

  13. Grain size stability and hardness in nanocrystalline Cu–Al–Zr and Cu–Al–Y alloys

    Energy Technology Data Exchange (ETDEWEB)

    Roy, D., E-mail: droy2k6@gmail.com [Material Science and Engineering Department, North Carolina State University, Raleigh, NC 27606 (United States); Materials and Metallurgical Engineering Department, NIFFT, Ranchi 834003 (India); Mahesh, B.V. [Department of Mechanical and Aerospace Engineering, Monash University (Australia); Atwater, M.A. [U.S. Army Research Laboratory, Weapons and Materials Research Directorate, RDRL-WMM-F, Aberdeen Proving Ground, MD 21005-5069 (United States); Chan, T.E.; Scattergood, R.O.; Koch, C.C. [Material Science and Engineering Department, North Carolina State University, Raleigh, NC 27606 (United States)

    2014-03-01

    Cryogenic high energy ball milling has been used to synthesize nanocrystalline Cu–14Al, Cu–12Al–2Zr and Cu–12Al–2Y alloys by mechanical alloying. The alloys were studied with the aim of comparing the effect of substituting Y and Zr in place of Al, in Cu–Al alloys, on the grain size stability at elevated temperatures. The as-milled alloys were subjected to annealing at various temperatures between 200 and 900 °C and the resulting grain morphology has been studied using X-ray diffraction and transmission electron microscopy. The addition of Y results in significantly reduced susceptibility to grain growth whereas in case of CuAl and CuAlZr alloys, the susceptibility to grain growth was much higher. The hardness is substantially increased due to Zr and Y addition in the as-milled CuAl powders. However, the hardness of Cu–12Al–2Zr gradually decreases and approaches that of Cu–14Al alloy after the annealing treatment whereas in case of Cu–12Al–2Y alloy, the relative drop in the hardness is much lower after annealing. Accordingly, the efficacy of grain size stabilization by Y addition at high homologous temperatures has been explained on the basis of a recent thermodynamic stabilization models.

  14. Grain size stability and hardness in nanocrystalline Cu–Al–Zr and Cu–Al–Y alloys

    International Nuclear Information System (INIS)

    Roy, D.; Mahesh, B.V.; Atwater, M.A.; Chan, T.E.; Scattergood, R.O.; Koch, C.C.

    2014-01-01

    Cryogenic high energy ball milling has been used to synthesize nanocrystalline Cu–14Al, Cu–12Al–2Zr and Cu–12Al–2Y alloys by mechanical alloying. The alloys were studied with the aim of comparing the effect of substituting Y and Zr in place of Al, in Cu–Al alloys, on the grain size stability at elevated temperatures. The as-milled alloys were subjected to annealing at various temperatures between 200 and 900 °C and the resulting grain morphology has been studied using X-ray diffraction and transmission electron microscopy. The addition of Y results in significantly reduced susceptibility to grain growth whereas in case of CuAl and CuAlZr alloys, the susceptibility to grain growth was much higher. The hardness is substantially increased due to Zr and Y addition in the as-milled CuAl powders. However, the hardness of Cu–12Al–2Zr gradually decreases and approaches that of Cu–14Al alloy after the annealing treatment whereas in case of Cu–12Al–2Y alloy, the relative drop in the hardness is much lower after annealing. Accordingly, the efficacy of grain size stabilization by Y addition at high homologous temperatures has been explained on the basis of a recent thermodynamic stabilization models

  15. 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.

  16. 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.

  17. 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.

  18. Proteomics analysis of maize (Zea mays L.) grain based on iTRAQ reveals molecular mechanisms of poor grain filling in inferior grains.

    Science.gov (United States)

    Yu, Tao; Li, Geng; Liu, Peng; Dong, Shuting; Zhang, Jiwang; Zhao, Bin

    2017-06-01

    In maize, inferior grains (IG) located on the upper part of the ear have poor grain filling process compared to superior grains (SG) located on the middle and lower parts of the ear. This difference limits satisfactory yield and quality; however, the underlying molecular mechanisms remain unknown. Here, using the isobaric tag for relative and absolute quantification (iTRAQ) technology, the proteomes of IG and SG during early and middle grain filling stages were investigated. In total, 4720 proteins were identified in maize grain and 305 differentially accumulated proteins (DiAPs) were detected between IG and SG. These DiAPs were involved in diverse cellular and metabolic processes with preferred distribution in protein synthesis/destination and metabolism. Compared to SG, DiAPs related to cell growth/division and starch synthesis were lag-accumulated and down-regulated in IG, respectively, resulting in smaller sink sizes and lower sink activities in IG. Meanwhile, impediment of the glycolysis pathway in IG may lead to reduce energy supply and building materials for substance synthesis. Additionally, reactive oxygen species (ROS) homeostasis and the defense system were disturbed in IG, which might lead to reduce protection against various environmental stresses. The present study provides new information on the proteomic differences between IG and SG, and explains possible molecular mechanisms for poor grain filling in IG. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  19. 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.

  20. 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...

  1. The effects of surface finish and grain size on the strength of sintered silicon carbide

    Science.gov (United States)

    You, Y. H.; Kim, Y. W.; Lee, J. G.; Kim, C. H.

    1985-01-01

    The effects of surface treatment and microstructure, especially abnormal grain growth, on the strength of sintered SiC were studied. The surfaces of sintered SiC were treated with 400, 800 and 1200 grit diamond wheels. Grain growth was induced by increasing the sintering times at 2050 C. The beta to alpha transformation occurred during the sintering of beta-phase starting materials and was often accompanied by abnormal grain growth. The overall strength distributions were established using Weibull statistics. The strength of the sintered SiC is limited by extrinsic surface flaws in normal-sintered specimens. The finer the surface finish and grain size, the higher the strength. But the strength of abnormal sintering specimens is limited by the abnormally grown large tabular grains. The Weibull modulus increases with decreasing grain size and decreasing grit size for grinding.

  2. 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

  3. Model for evolution of grain size in the rim region of high burnup UO{sub 2} fuel

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Hongxing, E-mail: xiaohongxing2003@163.com; Long, Chongsheng; Chen, Hongsheng

    2016-04-01

    The restructuring process of the high burnup structure (HBS) formation in UO{sub 2} fuel results in sub-micron size grains that accelerate the fission gas swelling, which will raise some concern over the safety of extended the nuclear fuel operation life in the reactor. A mechanistic and engineering model for evolution of grain size in the rim region of high burnup UO{sub 2} fuel based on the experimental observations of the HBS in the literature is presented. The model takes into account dislocations evolution under irradiation and the grain subdivision occur successively at increasing local burnup. It is assumed that the original driving force for subdivision of grain in the HBS of UO{sub 2} fuel is the production and accumulation of dislocation loops during irradiation. The dislocation loops can also be annealed through thermal diffusion when the temperature is high enough. The capability of this model is validated by the comparison with the experimental data of temperature threshold of subdivision, dislocation density and sub-grain size as a function of local burnup. It is shown that the calculated results of the dislocation density and subdivided grain size as a function of local burnup are in good agreement with the experimental results. - Highlights: • A model for evolution of dislocation density and grain size in HBS is proposed. • The dislocation can also be annealed when the temperature is high enough. • Original driving force for subdivision is mostly accumulation of dislocation loops. • The temperature threshold of the subdivision is predicted at 1300–1400 K.

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

    International Nuclear Information System (INIS)

    Sturz, Laszlo; Theofilatos, Angelos

    2016-01-01

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

  5. Mechanism for selective growth in electrical steel

    Science.gov (United States)

    Oh, Eun Jee; Heo, Nam Hoe; Kwon, Se Kyun; Koo, Yang Mo

    2018-01-01

    Through the competitive selective growth process between {100}, {110}, and {111} grains during final annealing which is governed by the primary grain size and the surface segregation concentration of sulfur, the sharp {110} annealing texture can be developed in a C-and Al-free Fe-3%Si-0.1%Mn electrical steel. Generally, the selective growth of the {110} grains occurs actively under the low surface segregation concentration of sulfur. In spite of the surface energy disadvantage, the selective growth of a {hkl} grain can however occur, if the {hkl} grain size is larger than the critical grain size linearly proportional to the strip thickness.

  6. Grain formation in cool stellar envelopes

    International Nuclear Information System (INIS)

    Deguchi, S.

    1980-01-01

    The nucleation and growth of dust grains in the stellar envelope are investigated for the case of oxygen-rich stars, where the mass loss occurs as a result of the radiation pressure on the dust grains. The number density of grains, the final grain sizes, and the final amount of metals remaining in gaseous states are calculated based on the grain-nucleation theory proposed by Yamamoto and Hasegawa and Draine and Salpeter. It is shown that, even if we base our calculations on the Lothe-Pound nucleation rate equation instead of the classical, homogeneous nucleation rate equation, the proposed theory gives a number density of grains quite similar to that based on the classical rate equation. The approximate solution of the flow, in this paper, brings physical insight to the problem of how the formation of grains couples the flow passing the sonic point. The metals in the outer envelope remain in gaseous state by the amount of 1--10% of the initial content for the mass-loss rate of 10 -5 M/sub sun/ yr -1 and by less than 1% for the massloss are less than 3 x 10 -6 M/sub sun/ yr -1 . Species of metals condensed onto the grains are also discussed

  7. 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.

  8. 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

  9. Grain Structure Control of Additively Manufactured Metallic Materials

    Directory of Open Access Journals (Sweden)

    Fuyao Yan

    2017-11-01

    Full Text Available Grain structure control is challenging for metal additive manufacturing (AM. Grain structure optimization requires the control of grain morphology with grain size refinement, which can improve the mechanical properties of additive manufactured components. This work summarizes methods to promote fine equiaxed grains in both the additive manufacturing process and subsequent heat treatment. Influences of temperature gradient, solidification velocity and alloy composition on grain morphology are discussed. Equiaxed solidification is greatly promoted by introducing a high density of heterogeneous nucleation sites via powder rate control in the direct energy deposition (DED technique or powder surface treatment for powder-bed techniques. Grain growth/coarsening during post-processing heat treatment can be restricted by presence of nano-scale oxide particles formed in-situ during AM. Grain refinement of martensitic steels can also be achieved by cyclic austenitizing in post-processing heat treatment. Evidently, new alloy powder design is another sustainable method enhancing the capability of AM for high-performance components with desirable microstructures.

  10. Simulation of growing grains under orientation relation - dependent quadruple point dragging

    International Nuclear Information System (INIS)

    Ito, K

    2015-01-01

    The growth behaviour of a specified grain embedded in matrix grains, for which the migration mobility of the quadruple points depended on the relation between the orientations of the growing and shrinking grains, was studied using a modified Potts MC-type threedimensional simulation. Large embedded grains continued to grow without being overcome by coarsening matrix grains, whereas small embedded grains disappeared, under the influence of the relative mobilities of the quadruple points, the composition of the matrix grain texture and the width of the grain size distribution of the matrix grains. These results indicate that orientation relation-dependent quadruple point dragging can affect the recrystallization texture during the grain coarsening stage. (paper)

  11. Effects of Nano-Zinc oxide and Seed Inoculation by Plant Growth Promoting Rhizobacteria (PGPR on Yield, Yield Components and Grain Filling Period of Soybean (Glycine max L.

    Directory of Open Access Journals (Sweden)

    R. Seyed Sharifi

    2016-02-01

    promoting rhizobacteria application on yield, yield components and grain filling period of soybean. Materials and Methods In order to study the effects of Nano-Zinc oxide and seed inoculation with Brady rhizobium and plant growth promoting rhizobacteria on yield and some agronomic characteristics of soybean, a factorial experiment based on randomized complete block design with three replications was conducted in 2013 at the research farm of the Islamic Azad University, Ardabil Branch. Factors were included foliar application of Nano-Zinc oxide at four levels (Zero as control, 0.3, 0.6 and 0.9 g l-1 and seed inoculation with Brady rhizobium and plant growth promoting rhizobacteria at five levels (without inoculation as control, seed inoculation with Brady rhizobium japanicum, seed inoculation with Brady rhizobium japanicum+Azosprillum lipoferum strain OF, seed inoculation with Brady rhizobium japanicum+Psedomonas putida, seed inoculation with Brady rhizobium japanicum+ Azosprillum lipoferum strain OF+ Psedomonas putida. Results and Discussion The results of growth indices showed that the maximum total dry matter (530 g m-2, crop growth rate (9.48 g.m-2.day-1 and relative growth rate (0.1 g.g-1.day-1 were obtained at foliar application of 0.9 g l-1 Nano-Zinc oxide×seed inoculation with rhizobium+Azosprillum+ Psedomonas and the least of these indices were obtained without of foliar application Nano-Zinc oxide × seed inoculation. The results showed that plant height, the number of nodules per plant, the number of pod per plant, grain yield and grain 100 weight were significantly affected by Nano-Zinc oxide, seed inoculation and interaction of Nano-Zinc oxide×seed inoculation. Maximum of plant height, grain 100 weight, the number of nodules per plant and grain yield were obtained at foliar application of 0.9 g l-1 of Nano-Zinc oxide×seed inoculation with rhizobium and PGPR. Dry weight of nodules per plant, the number of pod per plant and the number of grains per plant

  12. 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.

  13. High Heat Load Properties of Ultra Fine Grain Tungsten

    International Nuclear Information System (INIS)

    Zhou, Z.; Du, J.; Ge, C.; Linke, J.; Pintsuk, G.; Song, S.X.

    2007-01-01

    Full text of publication follows: Tungsten is increasingly considered as a promising candidate armour materials facing the plasma in tokamaks for medium to high heat flux components (EAST, ASDEX, ITER). Fabrication tungsten with ultra fine grain size is considered as an effective way to ameliorate some disadvantages of tungsten, such as its brittleness at room temperature. But the research data on the performance of ultra fine grain tungsten is still very limit. In this work, high heat load properties of pure ultra-fine grain tungsten have been studied. The ultra fine grain tungsten samples with average grain size of 0.2 μm, 1 μm and 3 μm were fabricated by resistance sintering under ultra high pressure. The annealing experiments for the investigation of the material resistance against grain growth have been done by annealing samples in a vacuum furnace at different temperature holding for 2 hours respectively. It is found that recrystallization and grain growth occur at heating temperature of 1250 deg. c. The finer the initial grain sizes of tungsten, the smaller its grain growth grain. The effects of transient high thermal loads (off normal events like disruptions) on tungsten surface morphology have been performed in electron beam test facility JUDITH. The thermal loads tests have been carried out with 4 ms pulses at different power density of 0.22, 0.33, 0.44, 0.55 and 0.88 GW/m 2 respectively. Horizontal cracks formed for all tungsten samples at 0.44 GW/m 2 . Particle erosions occurred for tungsten with 3 μm size at 0.33 GW/m 2 and for tungsten with 0.2 and 1 μm size at 0.55 GW/m 2 . The weight loss of tungsten with 0.2, 1 and 3 μm size are 2,0.1,0.6 mg respectively at 0.88 GW/m 2 . The effects of a large number of very short transient repetitive thermal loads (ELM-like) on tungsten surface morphology also have been performed by using a fundamental wave of a YAG laser. It is found that tungsten with 0.2 μm size has the best performance. (authors)

  14. High Heat Load Properties of Ultra Fine Grain Tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Z.; Du, J.; Ge, C. [Lab. of Special Ceramic and P/M, University of Science and Technology, 100083 Beijing (China); Linke, J.; Pintsuk, G. [FZJ-Forschungszentrum Juelich GmbH, Association Euratom-FZJ, Institut fur Plasmaphysik, Postfach 1913, D-52425 Juelich (Germany); Song, S.X. [Research Center on Fusion Materials (RCFM), University of Science and Technology Beijing (USTB), 100083 Beijing (China)

    2007-07-01

    Full text of publication follows: Tungsten is increasingly considered as a promising candidate armour materials facing the plasma in tokamaks for medium to high heat flux components (EAST, ASDEX, ITER). Fabrication tungsten with ultra fine grain size is considered as an effective way to ameliorate some disadvantages of tungsten, such as its brittleness at room temperature. But the research data on the performance of ultra fine grain tungsten is still very limit. In this work, high heat load properties of pure ultra-fine grain tungsten have been studied. The ultra fine grain tungsten samples with average grain size of 0.2 {mu}m, 1 {mu}m and 3 {mu}m were fabricated by resistance sintering under ultra high pressure. The annealing experiments for the investigation of the material resistance against grain growth have been done by annealing samples in a vacuum furnace at different temperature holding for 2 hours respectively. It is found that recrystallization and grain growth occur at heating temperature of 1250 deg. c. The finer the initial grain sizes of tungsten, the smaller its grain growth grain. The effects of transient high thermal loads (off normal events like disruptions) on tungsten surface morphology have been performed in electron beam test facility JUDITH. The thermal loads tests have been carried out with 4 ms pulses at different power density of 0.22, 0.33, 0.44, 0.55 and 0.88 GW/m{sup 2} respectively. Horizontal cracks formed for all tungsten samples at 0.44 GW/m{sup 2}. Particle erosions occurred for tungsten with 3 {mu}m size at 0.33 GW/m{sup 2} and for tungsten with 0.2 and 1 {mu}m size at 0.55 GW/m{sup 2}. The weight loss of tungsten with 0.2, 1 and 3 {mu}m size are 2,0.1,0.6 mg respectively at 0.88 GW/m{sup 2}. The effects of a large number of very short transient repetitive thermal loads (ELM-like) on tungsten surface morphology also have been performed by using a fundamental wave of a YAG laser. It is found that tungsten with 0.2 {mu}m size has

  15. Grain dynamics and inter-grain coupling in dusty plasma Coulomb crystals

    International Nuclear Information System (INIS)

    Rahman, H.U.; Mohideen, U.; Smith, M.A.; Rosenberg, M.; Mendis, D.A.

    2001-01-01

    We review our results on the lattice structure and the lattice dynamics of dusty plasma Coulomb crystals formed in rectangular conductive grooves. The basic structure appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. Inter-grain coupling as a function of plasma temperature and density were investigated by measurement of these parameters. A simple phenomenological model wherein the inter-grain spacing along the column results from an attractive electric field induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal. In addition, here we present some preliminary measurements of the vibration and rotation dynamics of the individual grains in the Coulomb crystal. The thermal energy of the dust grain thus calculated is much less than the inter-grain Coulomb potential energy as required for the formation of stable structures. Also the observed rotational frequency is consistent with the assumption of thermal equilibrium between the dust grains and the neutral gas. (orig.)

  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. Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations.

    Science.gov (United States)

    Shen, Lin; Yang, Weitao

    2016-04-12

    We developed a new multiresolution method that spans three levels of resolution with quantum mechanical, atomistic molecular mechanical, and coarse-grained models. The resolution-adapted all-atom and coarse-grained water model, in which an all-atom structural description of the entire system is maintained during the simulations, is combined with the ab initio quantum mechanics and molecular mechanics method. We apply this model to calculate the redox potentials of the aqueous ruthenium and iron complexes by using the fractional number of electrons approach and thermodynamic integration simulations. The redox potentials are recovered in excellent accordance with the experimental data. The speed-up of the hybrid all-atom and coarse-grained water model renders it computationally more attractive. The accuracy depends on the hybrid all-atom and coarse-grained water model used in the combined quantum mechanical and molecular mechanical method. We have used another multiresolution model, in which an atomic-level layer of water molecules around redox center is solvated in supramolecular coarse-grained waters for the redox potential calculations. Compared with the experimental data, this alternative multilayer model leads to less accurate results when used with the coarse-grained polarizable MARTINI water or big multipole water model for the coarse-grained layer.

  18. 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.

  19. Influence of austenite grain size on recrystallisation-precipitation interaction in a V-microalloyed steel

    International Nuclear Information System (INIS)

    Quispe, A.; Medina, S.F.; Gomez, M.; Chaves, J.I.

    2007-01-01

    By means of torsion tests using small specimens, the influence of austenite grain size on strain induced precipitation kinetics has been determined in a vanadium microalloyed steel. Determination of recrystallisation-precipitation-time-temperature (RPTT) diagrams for two austenite grain sizes allows values of the aforementioned magnitudes to be determined. An ample discussion is made of the quantitative influence found and its relation with nucleation and growth mechanisms of precipitates. The results are compared with the quantitative influence exerted by the other variables, reaching the conclusion that the austenite grain size has a notable influence on strain induced precipitation kinetics which should not be underestimated. Finally, the influence of austenite grain size is included in a strain induced precipitation model constructed by the authors of this work and which also takes into account the other aforementioned variables

  20. Shape preferred orientation of iron grains compatible with Earth's uppermost inner core hemisphericity

    Science.gov (United States)

    Calvet, Marie; Margerin, Ludovic

    2018-01-01

    Constraining the possible patterns of iron fabrics in the Earth's Uppermost Inner Core (UIC) is key to unravel the mechanisms controlling its growth and dynamics. In the framework of crystalline micro-structures composed of ellipsoidal, aligned grains, we discuss possible textural models of UIC compatible with observations of P-wave attenuation and velocity dispersion. Using recent results from multiple scattering theory in textured heterogeneous materials, we compute the P-wave phase velocity and scattering attenuation as a function of grain volume, shape, and orientation wrt to the propagation direction of seismic P-waves. Assuming no variations of the grain volume between the Eastern and Western hemisphere, we show that two families of texture are compatible with the degree-one structure of the inner core as revealed by the positive correlation between seismic velocity and attenuation. (1) Strong flattening of grains parallel to the Inner Core Boundary in the Western hemisphere and weak anisometry in the Eastern hemisphere. (2) Strong radial elongation of grains in the Western hemisphere and again weak anisometry in the Eastern hemisphere. Both textures can quantitatively explain the seismic data in a limited range of grain volumes. Furthermore, the velocity and attenuation anisotropy locally observed under Africa demands that the grains be locally elongated in the direction of Earth's meridians. Our study demonstrates that the hemispherical seismic structure of UIC can be entirely explained by changes in the shape and orientation of grains, thereby offering an alternative to changes in grain volumes. In the future, our theoretical toolbox could be used to systematically test the compatibility of textures predicted by geodynamical models with seismic observations.

  1. 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...

  2. Grain Flow at High Stresses

    Science.gov (United States)

    McSaveney, M. J.

    2015-12-01

    The transport mechanism of rapid long-runout rock avalanches was a hotly debated topic when I came on the scene in 1967. So how come it is still debated today? My explanation is that it is the expected outcome of peer review, poor comprehension, and technological advances outpacing intellectual advances. Why think about the problem when we can model it! So let us think about the problem. Shreve thought that rock avalanches fell upon and trapped a layer of air. What physics was he thinking about? It is how feathers and tissue papers fall. When my rock avalanches fly, they fly like unlubricated bricks using the physics of projectiles and ballistics. But the main transport mechanism is not flight. The dominant impression from watching a rock avalanche in motion is of fluid flow, as Heim described it in 1882. A rock avalanche is a very large grain flow. Bagnold studied dispersive grain flows, but why should one assume that rock avalanches are dispersive grain flows as many do. The more common grain flow type is a dense grain flow and rock avalanches are dense grain flows in which the weight can and does generate very high stresses at grain contacts. Brittle rock deforms elastically up to its compressive strength, whereupon it breaks, releasing elastic strain as transient elastic strain (seismic energy to a seismologist, acoustic energy to a physicist). Melosh and others have shown that acoustic energy can fluidize a grain mass. There is no exotic physics behind grain flow at high stress. When grains break, the released elastic strain has to go somewhere, and it goes somewhere principally by transmission though grain contacts. Depending on the state of stress at the grain contact, the contact will pass the stress or will slip at conventional values of Coulomb friction. Enough thinking! A physical model of the entire process is too big for any laboratory. So whose numerical model will do it?

  3. 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.

  4. 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

  5. Stochastic modelling in design of mechanical properties of nanometals

    International Nuclear Information System (INIS)

    Tengen, T.B.; Wejrzanowski, T.; Iwankiewicz, R.; Kurzydlowski, K.J.

    2010-01-01

    Polycrystalline nanometals are being fabricated through different processing routes and conditions. The consequence is that nanometals having the same mean grain size may have different grain size dispersion and, hence, may have different material properties. This has often led to conflicting reports from both theoretical and experimental findings about the evolutions of the mechanical properties of nanomaterials. The present paper employs stochastic model to study the impact of microstructure evolution during grain growth on the mechanical properties of polycrystalline nanometals. The stochastic model for grain growth and the stochastic model for changes in mechanical properties of nanomaterials are proposed. The model for the mechanical properties developed is tested on aluminium samples.Many salient features of the mechanical properties of the aluminium samples are revealed. The results show that the different mechanisms of grain growth impart different nature of response to the material mechanical properties. The conventional, homologous and anomalous temperature dependences of the yield stress have also been revealed to be due to different nature of interactions of the microstructures during evolution.

  6. 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.

  7. 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...

  8. Transitional grain-size-sensitive flow of milky quartz aggregates

    Science.gov (United States)

    Fukuda, J. I.; Holyoke, C. W., III; Kronenberg, A. K.

    2014-12-01

    Fine-grained (~15 μm) milky quartz aggregates exhibit reversible flow strengths in triaxial compression experiments conducted at T = 800-900oC, Pc = 1.5 GPa when strain rates are sequentially decreased (typically from 10-3.5 to 10-4.5 and 10-5.5 s-1), and then returned to the original rate (10-3.5 s-1), while samples that experience grain growth at 1000oC (to 35 μm) over the same sequence of strain rates exhibit an irreversible increase in strength. Polycrystalline quartz aggregates have been synthesized from natural milky quartz powders (ground to 5 μm) by HIP methods at T = 1000oC, Pc = 1.5 GPa and t = 24 hours, resulting in dense, fine-grained aggregates of uniform water content of ~4000 ppm (H/106Si), as indicated by a broad OH absorption band at 3400 cm-1. In experiments performed at 800o and 900oC, grain sizes of the samples are essentially constant over the duration of each experiment, though grain shapes change significantly, and undulatory extinction and deformation lamellae indicate that much of the sample shortening (to 50%) is accomplished, over the four strain-rate steps, by dislocation creep. Differential stresses measured at T = 800oC decrease from 160 to 30 MPa as strain rate is reduced from 10-4.6 to 10-5.5 s-1, and a stress of 140 MPa is measured when strain rate is returned to 10-4.5 s-1. Samples deformed at 1000o and 1100oC experience normal grain growth, with grain boundary energy-driven grain-coarsening textures superposed by undulatory extinction and deformation lamellae. Differential stresses measured at 1000oC and strain rates of 10-3.6, 10-4.6, and 10-5.5 s-1 are 185, 80, and 80 MPa, respectively, while an increased flow stress of 260 MPa is measured (following ~28 hours of prior high temperature deformation and grain growth) when strain rate is returned to 10-3.6 s-1. While all samples exhibit lattice preferred orientations, the stress exponent n inferred for the fine-grained 800oC sample is 1.5 and the stress exponent of the coarse-grained

  9. Formation of intra-island grain boundaries in pentacene monolayers.

    Science.gov (United States)

    Zhang, Jian; Wu, Yu; Duhm, Steffen; Rabe, Jürgen P; Rudolf, Petra; Koch, Norbert

    2011-12-21

    To assess the formation of intra-island grain boundaries during the early stages of pentacene film growth, we studied sub-monolayers of pentacene on pristine silicon oxide and silicon oxide with high pinning centre density (induced by UV/O(3) treatment). We investigated the influence of the kinetic energy of the impinging molecules on the sub-monolayer growth by comparing organic molecular beam deposition (OMBD) and supersonic molecular beam deposition (SuMBD). For pentacene films fabricated by OMBD, higher pentacene island-density and higher polycrystalline island density were observed on UV/O(3)-treated silicon oxide as compared to pristine silicon oxide. Pentacene films deposited by SuMBD exhibited about one order of magnitude lower island- and polycrystalline island densities compared to OMBD, on both types of substrates. Our results suggest that polycrystalline growth of single islands on amorphous silicon oxide is facilitated by structural/chemical surface pinning centres, which act as nucleation centres for multiple grain formation in a single island. Furthermore, the overall lower intra-island grain boundary density in pentacene films fabricated by SuMBD reduces the number of charge carrier trapping sites specific to grain boundaries and should thus help achieving higher charge carrier mobilities, which are advantageous for their use in organic thin-film transistors.

  10. Observation of changing crystal orientations during grain coarsening

    International Nuclear Information System (INIS)

    Sharma, Hemant; Huizenga, Richard M.; Bytchkov, Aleksei; Sietsma, Jilt; Offerman, S. Erik

    2012-01-01

    Understanding the underlying mechanisms of grain coarsening is important in controlling the properties of metals, which strongly depend on the microstructure that forms during the production process or during use at high temperature. Grain coarsening of austenite at 1273 K in a binary Fe–2 wt.% Mn alloy was studied using synchrotron radiation. Evolution of the volume, average crystallographic orientation and mosaicity of more than 2000 individual austenite grains was tracked during annealing. It was found that an approximately linear relationship exists between grain size and mosaicity, which means that orientation gradients are present in the grains. The orientation gradients remain constant during coarsening and consequently the character of grain boundaries changes during coarsening, affecting the coarsening rate. Furthermore, changes in the average orientation of grains during coarsening were observed. The changes could be understood by taking the observed orientation gradients and anisotropic movement of grain boundaries into account. Five basic modes of grain coarsening were deduced from the measurements, which include: anisotropic (I) and isotropic (II) growth (or shrinkage); movement of grain boundaries resulting in no change in volume but a change in shape (III); movement of grain boundaries resulting in no change in volume and mosaicity, but a change in crystallographic orientation (IV); no movement of grain boundaries (V).

  11. Modification of the grain structure of austenitic welds for improved ultrasonic inspectability

    International Nuclear Information System (INIS)

    Wagner, S.; Dugan, S.; Stubenrauch, S.; Jacobs, O.

    2012-01-01

    Austenitic stainless steel welds, which are widely used for example in nuclear power plants and chemical installations, present major challenges for ultrasonic inspection due to the grain structure of the weld. Large grains in combination with the elastic anisotropy of the material lead to increased scattering and affect sound wave propagation in the weld. This results in a reduced signal-to-noise ratio, and complicates the interpretation of signals and the localization of defects. The aim of this project is to influence grain growth in the weld during the welding process to produce smaller grains, in order to improve sound propagation through the weld, thus improving inspectability. Metallographic sections of the first test welds have shown that a modification of the grain structure can be achieved by influencing the grain growth with magnetic fields. For further optimization, test blocks for ultrasonic testing were manufactured to study sound propagation through the weld and detectability of test flaws.

  12. 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

  13. 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.

  14. Grain-dependent responses of mammalian diversity to land use and the implications for conservation set-aside.

    Science.gov (United States)

    Wearn, Oliver R; Carbone, Chris; Rowcliffe, J Marcus; Bernard, Henry; Ewers, Robert M

    2016-07-01

    Diversity responses to land-use change are poorly understood at local scales, hindering our ability to make forecasts and management recommendations at scales which are of practical relevance. A key barrier in this has been the underappreciation of grain-dependent diversity responses and the role that β-diversity (variation in community composition across space) plays in this. Decisions about the most effective spatial arrangement of conservation set-aside, for example high conservation value areas, have also neglected β-diversity, despite its role in determining the complementarity of sites. We examined local-scale mammalian species richness and β-diversity across old-growth forest, logged forest, and oil palm plantations in Borneo, using intensive camera- and live-trapping. For the first time, we were able to investigate diversity responses, as well as β-diversity, at multiple spatial grains, and across the whole terrestrial mammal community (large and small mammals); β-diversity was quantified by comparing observed β-diversity with that obtained under a null model, in order to control for sampling effects, and we refer to this as the β-diversity signal. Community responses to land use were grain dependent, with large mammals showing reduced richness in logged forest compared to old-growth forest at the grain of individual sampling points, but no change at the overall land-use level. Responses varied with species group, however, with small mammals increasing in richness at all grains in logged forest compared to old-growth forest. Both species groups were significantly depauperate in oil palm. Large mammal communities in old-growth forest became more heterogeneous at coarser spatial grains and small mammal communities became more homogeneous, while this pattern was reversed in logged forest. Both groups, however, showed a significant β-diversity signal at the finest grain in logged forest, likely due to logging-induced environmental heterogeneity. The

  15. 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....

  16. Inter-grain coupling and grain charge in dusty plasma Coulomb crystals

    International Nuclear Information System (INIS)

    Smith, M. A.; Goodrich, J.; Mohideen, U.; Rahman, H. U.; Rosenberg, M.; Mendis, D. A.

    1998-01-01

    We have studied the lattice structure and grain charge of dusty plasma Coulomb crystals formed in rectangular conductive grooves as a function of plasma temperature and density. The crystal appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. A simple phenomenological model wherein the inter-grain spacing results from an attractive electric field induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal

  17. Grain destruction in interstellar shocks

    International Nuclear Information System (INIS)

    Seab, C.G.; Shull, J.M.

    1984-01-01

    One of the principal methods for removing grains from the Interstellar Medium is to destroy them in shock waves. Previous theoretical studies of shock destruction have generally assumed only a single size and type of grain; most do not account for the effect of the grain destruction on the structure of the shock. Earlier calculations have been improved in three ways: first, by using a ''complete'' grain model including a distribution of sizes and types of grains; second, by using a self-consistent shock structure that incorporates the changing elemental depletions as the grains are destroyed; and third, by calculating the shock-processed ultraviolet extinction curves for comparison with observations. (author)

  18. Effect of grain size upon the fatigue-crack propagation behavior of alloy 718 under hold-time cycling at elevated temperature

    Energy Technology Data Exchange (ETDEWEB)

    James, L A

    1986-01-01

    Fatigue-crack propagation tests were conducted in air at 538/sup 0/C on several specimens of Alloy 718 representing several different producers, melt practices and product forms. This variety resulted in a range of grain sizes from ASTM Size 5 to 11.5. Tests at low cyclic frequency employing a tensile hold-time revealed a relationship between crack growth rates and grain size: higher growth rates were associated with fine-grain material and lower rates with larger-grain material. The lowest crack growth rates were associated with a necklace microstructure, whereby large grains are associated with necklaces of very small grains.

  19. Oxygen Permeability and Grain-Boundary Diffusion Applied to Alumina Scales

    Science.gov (United States)

    Smialek, James L.; Jacobson, Nathan S.; Gleeson, Brian; Hovis, David B.; Heuer, Arthur H.

    2013-01-01

    High-temperature oxygen permeability measurements had determined grain-boundary diffusivities (deltaD(sub gb)) in bulk polycrystalline alumina (Wada, Matsudaira, and Kitaoka). They predict that oxygen deltaD(sub gb,O) varies with oxygen pressure as P(O2)(sup -1/6) at low pressure whereas aluminum deltaD(sub gb),Al varies with P(O2)(sup +3/16) at high pressure. These relations were used to evaluate alumina scale growth in terms of diffusivity and grain size. A modified Wagner treatment for dominant inward oxygen growth produces the concise solution: ?(sub i) = k(sub p,i)×G(sub i) = 12 deltaD(sub gb,O,int), where ?(sub i) is a constant and k(sub p,i) and G(sub i) refer to instantaneous values of the scale parabolic growth constant and grain size, respectively. A commercial FeCrAl(Zr) alloy was oxidized at 1100 to 1400 degC to determine k(sub p,i), interfacial grain size, ?, and thus deltaD(sub gb,O,int). The deltaD(sub gb,O,int) values predicted from oxidation at (375 kJ/mole) were about 20 times less than those obtained above (at 298 kJ/mole), but closer than extrapolations from high-temperature bulk measurements. The experimental oxidation results agree with similar FeCrAl(X) studies, especially where both k(sub p,i) and G(sub i) were characterized. This complete approach accounts for temperature-sensitive oxidation effects of grain enlargement, equilibrium interface pressure variation, and grain-boundary diffusivity.

  20. Effect of hot band grain size on development of textures and magnetic properties in 2.0% Si non-oriented electrical steel sheet

    Energy Technology Data Exchange (ETDEWEB)

    Lee, K.M. [Department of Materials Science and Engineering, Korea University, 5-1, Anam-dong, Sungbuk-Gu, Seoul 136-701 (Korea, Republic of); Huh, M.Y., E-mail: myhuh@korea.ac.kr [Department of Materials Science and Engineering, Korea University, 5-1, Anam-dong, Sungbuk-Gu, Seoul 136-701 (Korea, Republic of); Lee, H.J.; Park, J.T.; Kim, J.S. [Electrical Steel Sheet Research Group, Technical Research Laboratories, POSCO, Goedong-dong, Pohang (Korea, Republic of); Shin, E.J. [Korea Atomic Energy Research Institute, Neutron Science Division, Daejeon 305-353 (Korea, Republic of); Engler, O. [Hydro Aluminium Rolled Products GmbH, Research and Development Bonn, P.O. Box 2468, D-53014 Bonn (Germany)

    2015-12-15

    The effect of hot band grain size on the development of crystallographic texture and magnetic properties in non-oriented electrical steel sheet was studied. After cold rolling the samples with different initial grain sizes displayed different microstructures and micro-textures but nearly identical macro-textures. The homogeneous recrystallized microstructure and micro-texture in the sample having small grains caused normal continuous grain growth. The quite irregular microstructure and micro-texture in the recrystallized sample with large initial grain size provided a preferential growth of grains in 〈001〉//ND and 〈113〉//ND which were beneficial for developing superior magnetic properties. - Highlights: • We produced hot bands of electrical steel with different grain size but same texture. • Hot band grain size strongly affected cold rolling and subsequent annealing textures. • Homogeneous recrystallized microstructure caused normal continuous grain growth. • Irregular recrystallized microstructure led to selective growth of <001>//ND grains. • Hot band with large grains was beneficial for superior magnetic properties.

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. Drought Stress Effect during Different Growth Stages on Yield, Osmolites and Photosynthetic Pigments Accumulation of Grain Sorghum Genotypes (Sorghum bicolor L.

    Directory of Open Access Journals (Sweden)

    A Azari Nasrabad

    2017-12-01

    Full Text Available Introduction Osmotic adjustment in plants can be achieved by the accumulation of compatible solution or metabolites. These compounds are known as compatible metabolites that accumulate naturally in tolerant plants due to non-interference in the normal metabolic response of plants to adapt or supplement. Proline, soluble sugars and other metabolites accumulation that are involved in osmotic adjustment have been reported for various plants. Different studies show that water absorption in sorghum plant, is due to osmotic adjustment and appropriate and fairly extensive root system. Moreover, there are some differences from genotype to genotype regarding the osmolites accumulation under drought stress conditions. Thus, the aim of this study was to investigate the effects of drought in the vegetative and reproductive growth stages on yield, its components and biochemical traits in grain sorghum genotypes. Materials and Methods In order to evaluate the effect of water stress on grain yield and its components and some biochemical traits in grain sorghum genotypes (Sorghum bicolor L., a field experiment as a split plot design was carried out with 3 replications in 2014 at the research farm of the southern Khorasan Agriculture and natural resources research and education center. Water stress treatments including normal irrigation (control, irrigation cut off in vegetative growth stage (emergence of terminal leaf as rolled and irrigation cut off in generative growth stage (50% of plants in start of flowering as the main plot and 10 genotypes of sorghum including KGS29, MGS2, Sepideh, KGFS27, MGS5, KGFS5, KGFS17, KGFS13 and KGFS30 were considered as sub plots. Each plot consists of 4 rows with a length of 6 m and row spacing of 60 cm, between plants on row was 10 cm. In addition, between each plot and the adjacent plot a row was considered to side effect reduction. To determine the yield components of each plot, half a meter in length was harvested and the

  8. DEVELOPMENT OF GRAIN MARKET IN UKRAINE

    Directory of Open Access Journals (Sweden)

    Aleksandr Maslak

    2015-11-01

    Full Text Available The subject of the research is a set of theoretical, methodological and practical fundamentals of organizational and economic functioning are integrated agricultural formations in the grain market of Ukraine. The methodological basis of research is the complex analysis of economic processes in the grain market in Ukraine and the world. During research we used such methods as method of systematization and comparison, statistic, economic, balance, constructive, target-oriented, and the methods of induction and deduction, analogy and comparison. Main aim of this article is the analysis of the situation on the grain market in Ukraine, defining the role of integrated agricultural formations in this market, improving the organizational-economic mechanism of its functioning, identifies ways of improving the competitiveness of Ukraine among world exporters of grain. Using results of the studies we examined trends grain market in Ukraine; influence of businesses in grain production; analysis of constraints to improve production efficiency of grain; defined domestic (internal needs of grain in Ukraine; assessed the status and expediency transformation infrastructure of the grain market of Ukraine; defined priority directions of development of the grain market in Ukraine. As a result of the preparation of articles, it is obtained the following conclusions: Ukraine is the world's largest producers and exporters of grain, the production of integrated agricultural units to a third of the total grain; technical condition of farm does not meet the needs of production; the domestic market is unable to provide the existing demand for grain production, contributing to export growth; Ukraine has a number of problems due to increased grain production, namely the shortage of storage capacity for the storage of grain, limited performance transshipment of grain in port elevators and imperfection and depreciation of transport systems; solving the existing problems is

  9. 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

  10. 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.

  11. 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

  12. Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy.

    Science.gov (United States)

    Zhang, Hang; Xu, Qingyan

    2017-10-27

    Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter ( d w ), the spiral pitch ( h b ) and the spiral diameter ( h s ), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure.

  13. 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.

  14. Grain boundary sweeping and dissolution effects on fission product behaviour under severe fuel damage accident conditions

    International Nuclear Information System (INIS)

    Rest, J.

    1986-01-01

    The theoretical FASTGRASS-VFP model has been used in the interpretation of fission gas, iodine, tellurium, and cesium release from severe-fuel-damage (SFD) tests performed in the PBF reactor in Idaho. A theory of grain boundary sweeping of gas bubbles, gas bubble behavior during fuel liquefaction (destruction of grain boundaries due to formation of a U-rich melt phase), and during U-Zr eutectic melting has been included within the FASTGRASS-VFP formalism. The grain-boundary-sweeping theory considers the interaction between the moving grain boundary and two distinct size classes of bubbles, those on grain faces and on grain edges. The theory of the effects of fuel liquefaction and U-Zr eutectic melting on fission product behaviour considers the migration and coalescence of fission gas bubbles in either molten uranium, or a Zircaloy-Uranium eutectic melt. Results of the analyses demonstrate that intragranular fission product behavior during the 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. Whereas fuel liquefaction leads to an enhanced release of fission products in trace-irradiated fuel, the occurrence of fuel liquefaction in normally-irradiated fuel can degrade fission product release. This phenomenon is due in part to reduced gas-bubble mobilities in a viscous medium as compared to vapor transport, and in part to a degradation of grain growth rates and the subsequent decrease in grain-boundary sweeping of intragranular fission products into the liquified lamina. The analysis shows that total UO 2 dissolution due to eutectic melting leads to increased release for both trace-irradiated and normally-irradiated fuel. 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 normally

  15. Twinned feathery grains and related morphologies in aluminum alloys

    Energy Technology Data Exchange (ETDEWEB)

    Henry, S. [Compagnie de Produits Chimiques et Electrometallurgiques Pechiney, Centre de Recherches de Voreppe, 38 (France); Lab. de Metallurgie Physique, Ecole Polytechnique Federale de Lausanne (Switzerland); Rappaz, M. [Lab. de Metallurgie Physique, Ecole Polytechnique Federale de Lausanne (Switzerland)

    2000-07-01

    Al-Cu, Al-Mg and Al-Si alloys without grain refiner addition have been directionally solidified under well-controlled thermal and convection conditions. For relatively high solidification rates, several changes in the dendrite growth morphology were observed. One of the most common structure that may appear under such conditions is called ''feathery grains'' : it was demonstrated recently that this lamellar structure is constituted of left angle 110 right angle dendrites whose trunks are cut through by {l_brace}111{r_brace} twin planes. These grains undergo a selection mechanism which is similar to that occurring for regular left angle 100 right angle dendritic grains. The transition between left angle 100 right angle and left angle 110 right angle dendrite forms is progressive and morphologies that develop arms in both type of crystallographic directions can be observed. Moreover, in the case of a 5182 Al-Mg alloy, regular left angle 110 right angle dendrites, without twins, could also be obtained. This dendritic growth along left angle 110 right angle crystallographic directions is supposed to be due to a change in the anisotropy of certain properties of the alloy, such as the solid/liquid interfacial energy and/or the atom attachment kinetics. The possibility of growth along other directions than the usual left angle 100 right angle was further demonstrated by the observation of dendrites developing in an Al-Cu-Mg solidified in a Bridgman device. In this case, left angle 112 right angle trunks form and progressively change their growth direction, thus showing curved shapes. (orig.)

  16. 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.

  17. Crystallographic fatigue crack growth in a polycrystal: simulations based on FEM and discrete dislocation dynamics

    International Nuclear Information System (INIS)

    Bertolino, G.; Sauzay, M.; Bertolino, G.; Doquet, V.

    2003-01-01

    An attempt to model the variability of short cracks development in high-cycle fatigue is made by coupling finite element calculations of the stresses ahead of a microcrack in a polycrystal with simulations of crack growth along slip planes based on discrete dislocations dynamics. The model predicts a large scatter in growth rates related to the roughness of the crack path. It also describes the influence of the mean grain size and the fact that overloads may suppress the endurance limit by allowing arrested cracks to cross the grain boundaries. (authors)

  18. Reactor pressure boundary material; the modeling for the prediction of the welding characteristics of SA508-cl.3 pressure vessel steel welds

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang Hee; Uhm, Sang Ho; Seo, Young Dae; Moon, Younk Ju; Kim, Bum Joo; Shim, Min Hyo [Hanyang University, Seoul (Korea)

    2002-03-01

    A metallurgical model for predicting the welding characteristics such as final microstructure and mechanical properties of HAZ was established and various kinetic parameters which was necessary to the model were measured and formulated through isothermal grain growth and isothermal transformation experiments. This model consisted of two sub-models; Grain growth model and Transformation model. Grain growth model was developed to calculate the thermal cycle from heat input and the change of austenite grain size which occurred during heating cycle. Transformation model described the phase transition behavior and predicted the final mechanical properties determined by structure-property relationships. The isothermal kinetics of grain growth and dissolution of precipitates were respectively described by well-known equation, dD/dt = M( {delta}F{sub e}ff ){sup m} and Whelan's analytical model. Isothermal transformation kinetics was expressed by Avrami equation. The reliabilities of each model were evaluated by HAZ microstructural simulation tests. It was found the both models were in good agreement. The applicability of this model was discussed by illustrating the results of the model. 129 refs., 81 figs., 11 tabs. (Author)

  19. 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...

  20. Formation of complex wedding-cake morphologies during homoepitaxial film growth of Ag on Ag(111): atomistic, step-dynamics, and continuum modeling

    International Nuclear Information System (INIS)

    Li Maozhi; Han, Yong; Thiel, P A; Evans, J W

    2009-01-01

    An atomistic lattice-gas model is developed which successfully describes all key features of the complex mounded morphologies which develop during deposition of Ag films on Ag(111) surfaces. We focus on this homoepitaxial thin film growth process below 200 K. The unstable multilayer growth mode derives from the presence of a large Ehrlich-Schwoebel step-edge barrier, for which we characterize both the step-orientation dependence and the magnitude. Step-dynamics modeling is applied to further characterize and elucidate the evolution of the vertical profiles of these wedding-cake-like mounds. Suitable coarse-graining of these step-dynamics equations leads to instructive continuum formulations for mound evolution.

  1. 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.

  2. Evolution of orientations and deformation structures within individual grains in cold rolled columnar grained nickel

    DEFF Research Database (Denmark)

    Wu, G.L.; Godfrey, A.; Winther, Grethe

    2011-01-01

    Columnar grained Ni is used as a model material allowing simultaneous non-surface investigations of the evolution of crystallographic orientations and deformation microstructures within individual grains as a function of rolling strain up to ε=0.7. Electron channelling contrast and electron...... backscattered diffraction are used to visualise microstructures and crystallographic orientations. It is found that both the microstructural and the textural development depend strongly on the initial grain orientation. A grain size effect is observed on the deformation-induced orientation scatter within...

  3. Prediction of PWSCC in nickel base alloys using crack growth rate models

    International Nuclear Information System (INIS)

    Thompson, C.D.

    1995-01-01

    The Ford/Andresen slip dissolution SCC model, originally developed for stainless steel components in BWR environments, has been applied to Alloy 600 and Alloy X-750 tested in deaerated pure water chemistry. A method is described whereby the crack growth rates measured in compact tension specimens can be used to estimate crack growth in a component. Good agreement was found between model prediction and measured SCC in X-750 threaded fasteners over a wide range of temperatures, stresses, and material condition. Most data support the basic assumption of this model that cracks initiate early in life. The evidence supporting a particular SCC mechanism is mixed. Electrochemical repassivation data and estimates of oxide fracture strain indicate that the slip dissolution model can account for the observed crack growth rates, provided primary rather than secondary creep rates are used. However, approximately 100 cross-sectional TEM foils of SCC cracks including crack tips reveal no evidence of enhanced plasticity or unique dislocation patterns at the crack tip or along the crack to support a classic slip dissolution mechanism. No voids, hydrides,, or microcracks are found in the vicinity of the crack tips creating doubt about classic hydrogen related mechanisms. The bulk oxide films exhibit a surface oxide which is often different than the oxide found within a crack. Although bulk chromium concentration affects the rate of SCC, analytical data indicates the mechanism does not result from chromium depletion at the grain boundaries. The overall findings support a corrosion/dissolution mechanism but not one necessarily related to slip at the crack tip. (author). 12 refs, 27 figs

  4. Evolution of grain structure in nickel oxide scales

    International Nuclear Information System (INIS)

    Atkinson, H.V.

    1987-01-01

    In systems such as the oxidation of nickel, in which grain-boundary diffusion in the oxide can control the rate of oxidation, understanding of the factors governing the grain structure is of importance. High-purity mechanically polished polycrystalline nickel was oxidized at 700 0 C, 800 0 C, and 1000 0 C for times up to 20 hr in 1 atm O 2 . The scale microstructures were examined by parallel and transverse cross section transmission electron microscopy (TEM) and scanning electron microscopy (SEM). Texture coefficients were found by x-ray diffraction (XRD). Each grain in the transverse section grain boundary networks was systematically analyzed for width parallel to the Ni-NiO interface and perpendicular length, for boundary radius of curvature and for number of sides. The variation of these parameters with depth in the scale was examined. In particular, grains were increasingly columnar (i.e., with ratio of grain length to width > 1) at higher temperatures and longer times. Columnar grain boundaries tended to be fairly static; the columnar grain width was less than the rate controlling grain size predicted from the oxidation rate. The mean boundary curvature per grain provided a guide to the tendency for grain growth, except in the region of the Ni-NiO interface, where the boundaries were thought to be pinned

  5. Evolution of interstellar grains

    International Nuclear Information System (INIS)

    Greenberg, J.M.

    1984-01-01

    The principal aim of this chapter is to derive the properties of interstellar grains as a probe of local physical conditions and as a basis for predicting such properties as related to infrared emissivity and radiative transfer which can affect the evolution of dense clouds. The first sections will develop the criteria for grain models based directly on observations of gas and dust. A summary of the chemical evolution of grains and gas in diffuse and dense clouds follows. (author)

  6. Interactions of impurities with a moving grain boundary

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, C L [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA)

    1975-01-01

    Most theories developed to explain interaction of impurities with a moving grain boundary involve a uniform excess impurity concentration distributed along a planar grain boundary. As boundary velocity increases, the excess impurities exert a net drag force on the boundary until a level is reached whereat the drag force no longer can balance the driving force and breakaway of the boundary from these impurities occurs. In this investigation, assumptions of a uniform lateral impurity profile and a planar grain boundary shape are relaxed by allowing both forward and lateral diffusion of impurities in the vicinity of a grain boundary. It is found that the two usual regions (drag of impurities by, and breakaway of a planar grain boundary) are separated by an extensive region wherein a uniform lateral impurity profile and a planar grain boundary shape are unstable. It is suspected that, in this unstable region, grain boundaries assume a spectrum of more complex morphologies and that elucidation of these morphologies can provide the first definitive description of the breakaway process and insight to more complex phenomena such as solid-solution strengthening, grain growth and secondary recrystallization.

  7. Grain boundary corrosion of copper canister material

    International Nuclear Information System (INIS)

    Fennell, P.A.H.; Graham, A.J.; Smart, N.R.; Sofield, C.J.

    2001-03-01

    The proposed design for a final repository for spent fuel and other long-lived residues in Sweden is based on the multi-barrier principle. The waste will be encapsulated in sealed cylindrical canisters, which will then be placed in granite bedrock and surrounded by compacted bentonite clay. The canister design is based on a thick cast inner container fitted inside a corrosion-resistant copper canister. During fabrication of the outer copper canisters there will be some unavoidable grain growth in the welded areas. As grains grow they will tend to concentrate impurities within the copper at the new grain boundaries. The work described in this report was undertaken to determine whether there is any possibility of enhanced corrosion at grain boundaries within the copper canister. The potential for grain boundary corrosion was investigated by exposing copper specimens, which had undergone different heat treatments and hence had different grain sizes, to aerated artificial bentonite-equilibrated groundwater with two concentrations of chloride, for increasing periods of time. The degree of grain boundary corrosion was determined by atomic force microscopy (AFM) and optical microscopy. AFM showed no increase in grain boundary 'ditching' for low chloride groundwater. In high chloride groundwater the surface was covered uniformly with a fine-grained oxide. No increases in oxide thickness were observed. No significant grain boundary attack was observed using optical microscopy either. The work suggests that in aerated artificial groundwaters containing chloride ions, grain boundary corrosion of copper is unlikely to adversely affect SKB's copper canisters

  8. 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

  9. 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.

  10. 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...

  11. 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.

  12. Novel analytical model for the determination of grain size distributions in nanocrystalline materials with low lattice microstrains by X-ray diffractometry

    International Nuclear Information System (INIS)

    Sanchez-Bajo, F.; Ortiz, A.L.; Cumbrera, F.L.

    2006-01-01

    We have developed a novel, analytical model for the determination of grain size distributions in nanocrystalline (nc) materials with low internal stresses by X-ray diffractometry (XRD). The model assumes explicitly that the XRD peaks are pseudo-Voigtian and that the grain size distributions are lognormal, both of which are assumptions amply supported by the experimental evidence. It was found analytically that the grain size dispersion depends on the shape of the XRD peaks only, whereas the grain size median depends on both the shape and width of the XRD peaks. In addition, the theoretical predictions resulting from the model were validated using standard XRD peaks obtained by computer simulation from first principles. Particular emphasis is given to the discussion of the validity limits of the model, and to the analysis of the influence of the characteristics of the grain size distributions on the nature of the XRD peaks. We then show how to calculate the average and apparent grain sizes from the grain size distribution determined with the model, and how this compares with the Scherrer method. Implications for the characterization of (undistorted and distorted) nc-materials are indicated, and a case study of an nc-powder of cubic ZrO 2 is presented. The application of the model itself is simple, involving only the fit of a pseudo-Voigt function to a single XRD peak followed by the use of two equations. This suggests that the model may have an important role to play in the characterization of nc-materials

  13. Novel analytical model for the determination of grain size distributions in nanocrystalline materials with low lattice microstrains by X-ray diffractometry

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Bajo, F. [Departamento de Electronica e Ingenieria Electromecanica, Escuela de Ingenierias Industriales, Universidad de Extremadura, Avda. de Elvas S/N, Badajoz 06071 (Spain); Ortiz, A.L. [Departamento de Electronica e Ingenieria Electromecanica, Escuela de Ingenierias Industriales, Universidad de Extremadura, Avda. de Elvas S/N, Badajoz 06071 (Spain)]. E-mail: alortiz@unex.es; Cumbrera, F.L. [Departamento de Fisica, Facultad de Ciencias, Universidad de Extremadura, Badajoz 06071 (Spain)

    2006-01-15

    We have developed a novel, analytical model for the determination of grain size distributions in nanocrystalline (nc) materials with low internal stresses by X-ray diffractometry (XRD). The model assumes explicitly that the XRD peaks are pseudo-Voigtian and that the grain size distributions are lognormal, both of which are assumptions amply supported by the experimental evidence. It was found analytically that the grain size dispersion depends on the shape of the XRD peaks only, whereas the grain size median depends on both the shape and width of the XRD peaks. In addition, the theoretical predictions resulting from the model were validated using standard XRD peaks obtained by computer simulation from first principles. Particular emphasis is given to the discussion of the validity limits of the model, and to the analysis of the influence of the characteristics of the grain size distributions on the nature of the XRD peaks. We then show how to calculate the average and apparent grain sizes from the grain size distribution determined with the model, and how this compares with the Scherrer method. Implications for the characterization of (undistorted and distorted) nc-materials are indicated, and a case study of an nc-powder of cubic ZrO{sub 2} is presented. The application of the model itself is simple, involving only the fit of a pseudo-Voigt function to a single XRD peak followed by the use of two equations. This suggests that the model may have an important role to play in the characterization of nc-materials.

  14. 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.

  15. Experimental Study of Dust Grain Charging

    Science.gov (United States)

    Spann, James F; Venturini, Catherine C.; Comfort, Richard H.; Mian, Abbas M.

    1999-01-01

    The results of an experimental study of the charging mechanisms of micron size dust grains are presented. Individual dust grains are electrodynamically suspended and exposed to an electron beam of known energy and flux, and to far ultraviolet radiation of known wavelength and intensity. Changes in the charge-to-mass ratio of the grain are directly measured as a function of incident beam (electron and/or photon), grain size and composition. Comparisons of our results to theoretical models that predict the grain response are presented.

  16. 3D random Voronoi grain-based models for simulation of brittle rock damage and fabric-guided micro-fracturing

    Directory of Open Access Journals (Sweden)

    E. Ghazvinian

    2014-12-01

    Full Text Available A grain-based distinct element model featuring three-dimensional (3D Voronoi tessellations (random poly-crystals is proposed for simulation of crack damage development in brittle rocks. The grain boundaries in poly-crystal structure produced by Voronoi tessellations can represent flaws in intact rock and allow for numerical replication of crack damage progression through initiation and propagation of micro-fractures along grain boundaries. The Voronoi modelling scheme has been used widely in the past for brittle fracture simulation of rock materials. However the difficulty of generating 3D Voronoi models has limited its application to two-dimensional (2D codes. The proposed approach is implemented in Neper, an open-source engine for generation of 3D Voronoi grains, to generate block geometry files that can be read directly into 3DEC. A series of Unconfined Compressive Strength (UCS tests are simulated in 3DEC to verify the proposed methodology for 3D simulation of brittle fractures and to investigate the relationship between each micro-parameter and the model's macro-response. The possibility of numerical replication of the classical U-shape strength curve for anisotropic rocks is also investigated in numerical UCS tests by using complex-shaped (elongated grains that are cemented to one another along their adjoining sides. A micro-parameter calibration procedure is established for 3D Voronoi models for accurate replication of the mechanical behaviour of isotropic and anisotropic (containing a fabric rocks.

  17. Influence of Alloy and Solidification Parameters on Grain Refinement in Aluminum Weld Metal due to Inoculation

    Energy Technology Data Exchange (ETDEWEB)

    Schempp, Philipp [BAM, Germany; Tang, Z. [BIAS, Germany; Cross, Carl E. [Los Alamos National Laboratory; Seefeld, T. [BIAS, Germany; Pittner, A. [BAM, Germany; Rethmeier, M. [BAM, Germany

    2012-06-28

    The goals are: (1) Establish how much Ti/B grain refiner is need to completely refine aluminum weld metal for different alloys and different welding conditions; (2) Characterize how alloy composition and solidification parameters affect weld metal grain refinement; and (3) Apply relevant theory to understand observed behavior. Conclusions are: (1) additions of Ti/B grain refiner to weld metal in Alloys 1050, 5083, and 6082 resulted in significant grain refinement; (2) grain refinement was more effective in GTAW than LBW, resulting in finer grains at lower Ti content - reason is limited time available for equiaxed grain growth in LBW (inability to occlude columnar grain growth); (3) welding travel speed did not markedly affect grain size within GTAW and LBW clusters; and (4) application of Hunt CET analysis showed experimental G to be on the order of the critical G{sub CET}; G{sub CET} was consistently higher for GTAW than for LBW.

  18. Secondary recrystallization behavior in a twin-roll cast grain-oriented electrical steel

    Energy Technology Data Exchange (ETDEWEB)

    Song, Hong-Yu; Liu, Hai-Tao, E-mail: liuht@ral.neu.edu.cn; Wang, Yin-Ping; Wang, Guo-Dong

    2017-04-15

    The microstructure and texture evolution along the processing was investigated with a particular focus on the secondary recrystallization behavior in a 0.23 mm-thick twin-roll cast grain-oriented electrical steel. A striking feature is that Goss orientation originated during twin-roll casting as a result of shear deformation and it was further enhanced during hot rolling and normalizing. After primary recrystallization annealing, a homogeneous microstructure associated with a sharp γ-fiber texture was produced. During secondary recrystallization annealing, the γ-fiber texture was first strengthened and weakened with increasing temperature prior to the onset of secondary recrystallization. Goss grains always exhibited more 20–45° misoriented boundaries than the matrix. The matrix was quite stable during secondary recrystallization with the aid of dense inhibitors. Finally, a complete secondary recrystallization microstructure consisting of large Goss grains was produced. The grain boundary characteristics distribution indicated that the high energy model was responsible for the abnormal growth of Goss grains under the present conditions. - Highlights: • A 0.23 mm twin-roll cast grain-oriented silicon steel sheet was produced. • Goss orientation originated during twin-roll casting. • Secondary recrystallization behavior was briefly investigated. • γ-fiber texture was enhanced prior to the onset of secondary recrystallization. • A complete secondary recrystallization microstructure was produced.

  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. Consequences of diverse use of nitrogen sources on grain yield ...

    African Journals Online (AJOL)

    A two year field experiment was conducted to check the consequences of diverse use of nitrogen sources on grain yield, grain quality and growth attributes of hybrid maize (Zea mays L.) at the Agronomic Research Area, University of Agriculture, Faisalabad during Autumn 2008 and 2009. Experiments were laid out in a ...